data_ms546
_audit_creation_date               2020-06-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/1'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic         
 '[10-ethynyl-5,15-diphenylporphyrinato] nickel(II)'
_chemical_formula_moiety           'C34 H20 N4 Ni'
_chemical_formula_sum              'C34 H20 N4 Ni'
_chemical_formula_weight           543.25
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ni' 'Ni' -3.0029 0.5091
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     35.0351(14)
_cell_length_b                     6.3588(2)
_cell_length_c                     26.5311(10)
_cell_angle_alpha                  90
_cell_angle_beta                   125.756(3)
_cell_angle_gamma                  90
_cell_volume                       4796.5(3)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      5347
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        65.70
_cell_measurement_theta_min        3.41
_shelx_estimated_absorpt_T_max     0.764
_shelx_estimated_absorpt_T_min     0.537
_exptl_absorpt_coefficient_mu      1.421
_exptl_absorpt_correction_T_max    0.7528
_exptl_absorpt_correction_T_min    0.5959
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2004/1 (Bruker,2004) was used for absorption correction.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear orange'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_primary      orange
_exptl_crystal_density_diffrn      1.505
_exptl_crystal_density_meas        .
_exptl_crystal_density_method      ?
_exptl_crystal_description         irregular
_exptl_crystal_F_000               2240
_exptl_crystal_size_max            0.5
_exptl_crystal_size_mid            0.3
_exptl_crystal_size_min            0.2
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0399
_diffrn_reflns_av_unetI/netI       0.0421
_diffrn_reflns_Laue_measured_fraction_full  0.967
_diffrn_reflns_Laue_measured_fraction_max  0.967
_diffrn_reflns_limit_h_max         40
_diffrn_reflns_limit_h_min         -40
_diffrn_reflns_limit_k_max         7
_diffrn_reflns_limit_k_min         -7
_diffrn_reflns_limit_l_max         27
_diffrn_reflns_limit_l_min         -30
_diffrn_reflns_number              13351
_diffrn_reflns_point_group_measured_fraction_full  0.967
_diffrn_reflns_point_group_measured_fraction_max  0.967
_diffrn_reflns_theta_full          65.493
_diffrn_reflns_theta_max           65.493
_diffrn_reflns_theta_min           3.406
_diffrn_ambient_temperature        100.15
_diffrn_detector_area_resol_mean   8.258
_diffrn_detector_type              'CCD area detector'
_diffrn_measured_fraction_theta_full  0.967
_diffrn_measured_fraction_theta_max  0.967
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3519
_reflns_number_total               4000
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT+ Ver. 8.34A (Bruker, 2014)'
_computing_data_collection         'APEX2 Ver. v.7-1 (Bruker, 2014)'
_computing_data_reduction          'SAINT+ Ver. 8.34A (Bruker, 2014)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT (Sheldrick, 2015)'
_refine_diff_density_max           0.295
_refine_diff_density_min           -0.326
_refine_diff_density_rms           0.055
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.033
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       352
_refine_ls_number_reflns           4000
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0405
_refine_ls_R_factor_gt             0.0349
_refine_ls_restrained_S_all        1.033
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0430P)²+6.5615P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0896
_refine_ls_wR_factor_ref           0.0935
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C17(H17), C18(H18),
 C20(H20), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56), C152(H152),
 C153(H153), C154(H154), C155(H155), C156(H156)
2.b :
 C102(H102)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Ni1 Ni 0.19893(2) 0.12929(5) 0.11783(2) 0.01652(12) Uani 1 1 d . . . . .
 N21 N 0.17168(5) -0.0626(2) 0.14646(7) 0.0184(3) Uani 1 1 d . . . . .
 N22 N 0.14240(5) 0.3053(2) 0.07924(7) 0.0179(3) Uani 1 1 d . . . . .
 N23 N 0.22639(5) 0.3219(2) 0.08984(7) 0.0182(3) Uani 1 1 d . . . . .
 N24 N 0.25553(5) -0.0462(2) 0.15657(7) 0.0183(3) Uani 1 1 d . . . . .
 C1 C 0.19112(7) -0.2485(3) 0.17907(9) 0.0195(4) Uani 1 1 d . . . . .
 C2 C 0.16166(7) -0.3448(3) 0.19283(9) 0.0216(4) Uani 1 1 d . . . . .
 H2 H 0.167379 -0.474014 0.214162 0.026 Uiso 1 1 calc R . . . .
 C3 C 0.12400(7) -0.2183(3) 0.16990(9) 0.0218(4) Uani 1 1 d . . . . .
 H3 H 0.098469 -0.239843 0.172700 0.026 Uiso 1 1 calc R . . . .
 C4 C 0.12994(7) -0.0443(3) 0.14038(9) 0.0192(4) Uani 1 1 d . . . . .
 C5 C 0.09762(7) 0.1176(3) 0.11001(9) 0.0198(4) Uani 1 1 d . . . . .
 C6 C 0.10383(6) 0.2775(3) 0.08034(9) 0.0189(4) Uani 1 1 d . . . . .
 C7 C 0.06974(7) 0.4407(3) 0.04546(9) 0.0210(4) Uani 1 1 d . . . . .
 H7 H 0.040201 0.454810 0.039042 0.025 Uiso 1 1 calc R . . . .
 C8 C 0.08734(7) 0.5695(3) 0.02359(9) 0.0215(4) Uani 1 1 d . . . . .
 H8 H 0.072709 0.691277 -0.001286 0.026 Uiso 1 1 calc R . . . .
 C9 C 0.13266(6) 0.4866(3) 0.04529(8) 0.0180(4) Uani 1 1 d . . . . .
 C10 C 0.16282(7) 0.5844(3) 0.03462(8) 0.0179(4) Uani 1 1 d . . . . .
 C11 C 0.20673(7) 0.5044(3) 0.05608(9) 0.0190(4) Uani 1 1 d . . . . .
 C12 C 0.23782(7) 0.6072(3) 0.04541(9) 0.0221(4) Uani 1 1 d . . . . .
 H12 H 0.232143 0.735384 0.023672 0.027 Uiso 1 1 calc R . . . .
 C13 C 0.27659(7) 0.4869(3) 0.07217(9) 0.0229(4) Uani 1 1 d . . . . .
 H13 H 0.303330 0.512994 0.072257 0.028 Uiso 1 1 calc R . . . .
 C14 C 0.27015(7) 0.3118(3) 0.10056(9) 0.0196(4) Uani 1 1 d . . . . .
 C15 C 0.30375(7) 0.1582(3) 0.13448(9) 0.0194(4) Uani 1 1 d . . . . .
 C16 C 0.29580(7) -0.0112(3) 0.15983(9) 0.0194(4) Uani 1 1 d . . . . .
 C17 C 0.32933(7) -0.1773(3) 0.19393(9) 0.0218(4) Uani 1 1 d . . . . .
 H17 H 0.359794 -0.188077 0.202970 0.026 Uiso 1 1 calc R . . . .
 C18 C 0.30930(7) -0.3143(3) 0.21054(9) 0.0222(4) Uani 1 1 d . . . . .
 H18 H 0.322827 -0.441171 0.233105 0.027 Uiso 1 1 calc R . . . .
 C19 C 0.26391(7) -0.2334(3) 0.18793(9) 0.0197(4) Uani 1 1 d . . . . .
 C20 C 0.23403(7) -0.3290(3) 0.19831(9) 0.0204(4) Uani 1 1 d . . . . .
 H20 H 0.243583 -0.458846 0.220136 0.025 Uiso 1 1 calc R . . . .
 C51 C 0.05620(7) 0.1208(3) 0.11301(9) 0.0214(4) Uani 1 1 d . . . . .
 C52 C 0.05473(7) 0.2672(3) 0.15067(10) 0.0258(5) Uani 1 1 d . . . . .
 H52 H 0.078924 0.369622 0.172108 0.031 Uiso 1 1 calc R . . . .
 C53 C 0.01820(8) 0.2655(4) 0.15732(10) 0.0294(5) Uani 1 1 d . . . . .
 H53 H 0.017560 0.366004 0.183327 0.035 Uiso 1 1 calc R . . . .
 C54 C -0.01722(7) 0.1173(3) 0.12600(10) 0.0293(5) Uani 1 1 d . . . . .
 H54 H -0.042028 0.114938 0.130837 0.035 Uiso 1 1 calc R . . . .
 C55 C -0.01651(7) -0.0279(4) 0.08756(10) 0.0292(5) Uani 1 1 d . . . . .
 H55 H -0.041054 -0.128562 0.065665 0.035 Uiso 1 1 calc R . . . .
 C56 C 0.02007(7) -0.0264(3) 0.08102(10) 0.0253(4) Uani 1 1 d . . . . .
 H56 H 0.020452 -0.126072 0.054643 0.030 Uiso 1 1 calc R . . . .
 C101 C 0.14911(7) 0.7821(3) 0.00171(9) 0.0206(4) Uani 1 1 d . . . . .
 C102 C 0.13954(7) 0.9467(3) -0.02418(10) 0.0265(5) Uani 1 1 d . . . . .
 H102 H 0.131880 1.078377 -0.044891 0.032 Uiso 1 1 calc R . . . .
 C151 C 0.35084(7) 0.1772(3) 0.14594(9) 0.0205(4) Uani 1 1 d . . . . .
 C152 C 0.38401(7) 0.3190(3) 0.18974(10) 0.0265(5) Uani 1 1 d . . . . .
 H152 H 0.376161 0.408298 0.211122 0.032 Uiso 1 1 calc R . . . .
 C153 C 0.42847(7) 0.3314(3) 0.20257(11) 0.0298(5) Uani 1 1 d . . . . .
 H153 H 0.450847 0.428625 0.232655 0.036 Uiso 1 1 calc R . . . .
 C154 C 0.44021(7) 0.2019(3) 0.17146(10) 0.0272(5) Uani 1 1 d . . . . .
 H154 H 0.470632 0.210132 0.180244 0.033 Uiso 1 1 calc R . . . .
 C155 C 0.40756(7) 0.0611(3) 0.12770(10) 0.0265(5) Uani 1 1 d . . . . .
 H155 H 0.415542 -0.027104 0.106265 0.032 Uiso 1 1 calc R . . . .
 C156 C 0.36295(7) 0.0477(3) 0.11480(9) 0.0240(4) Uani 1 1 d . . . . .
 H156 H 0.340705 -0.049828 0.084708 0.029 Uiso 1 1 calc R . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Ni1 N21 1.9557(16) . ?
 Ni1 N22 1.9633(16) . ?
 Ni1 N23 1.9524(16) . ?
 Ni1 N24 1.9625(16) . ?
 N21 C1 1.386(3) . ?
 N21 C4 1.379(2) . ?
 N22 C6 1.380(2) . ?
 N22 C9 1.377(3) . ?
 N23 C11 1.379(3) . ?
 N23 C14 1.388(2) . ?
 N24 C16 1.380(2) . ?
 N24 C19 1.382(3) . ?
 C1 C2 1.419(3) . ?
 C1 C20 1.373(3) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.349(3) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.439(3) . ?
 C4 C5 1.388(3) . ?
 C5 C6 1.379(3) . ?
 C5 C51 1.499(3) . ?
 C6 C7 1.438(3) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.344(3) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.436(3) . ?
 C9 C10 1.391(3) . ?
 C10 C11 1.387(3) . ?
 C10 C101 1.444(3) . ?
 C11 C12 1.433(3) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.345(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.434(3) . ?
 C14 C15 1.383(3) . ?
 C15 C16 1.382(3) . ?
 C15 C151 1.498(3) . ?
 C16 C17 1.439(3) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.344(3) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.428(3) . ?
 C19 C20 1.370(3) . ?
 C20 H20 0.9500 . ?
 C51 C52 1.389(3) . ?
 C51 C56 1.394(3) . ?
 C52 H52 0.9500 . ?
 C52 C53 1.390(3) . ?
 C53 H53 0.9500 . ?
 C53 C54 1.383(3) . ?
 C54 H54 0.9500 . ?
 C54 C55 1.387(3) . ?
 C55 H55 0.9500 . ?
 C55 C56 1.390(3) . ?
 C56 H56 0.9500 . ?
 C101 C102 1.188(3) . ?
 C102 H102 0.9500 . ?
 C151 C152 1.391(3) . ?
 C151 C156 1.397(3) . ?
 C152 H152 0.9500 . ?
 C152 C153 1.389(3) . ?
 C153 H153 0.9500 . ?
 C153 C154 1.388(3) . ?
 C154 H154 0.9500 . ?
 C154 C155 1.381(3) . ?
 C155 H155 0.9500 . ?
 C155 C156 1.393(3) . ?
 C156 H156 0.9500 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 N21 Ni1 N22 89.18(7) . . ?
 N21 Ni1 N24 90.86(7) . . ?
 N23 Ni1 N21 179.57(6) . . ?
 N23 Ni1 N22 90.87(7) . . ?
 N23 Ni1 N24 89.09(7) . . ?
 N24 Ni1 N22 179.85(10) . . ?
 C1 N21 Ni1 126.95(13) . . ?
 C4 N21 Ni1 128.82(13) . . ?
 C4 N21 C1 104.21(15) . . ?
 C6 N22 Ni1 128.15(13) . . ?
 C9 N22 Ni1 127.39(12) . . ?
 C9 N22 C6 104.46(15) . . ?
 C11 N23 Ni1 127.19(12) . . ?
 C11 N23 C14 104.18(15) . . ?
 C14 N23 Ni1 128.60(13) . . ?
 C16 N24 Ni1 128.64(13) . . ?
 C16 N24 C19 104.55(15) . . ?
 C19 N24 Ni1 126.80(12) . . ?
 N21 C1 C2 111.26(17) . . ?
 C20 C1 N21 125.58(18) . . ?
 C20 C1 C2 123.11(18) . . ?
 C1 C2 H2 126.5 . . ?
 C3 C2 C1 107.03(17) . . ?
 C3 C2 H2 126.5 . . ?
 C2 C3 H3 126.6 . . ?
 C2 C3 C4 106.85(17) . . ?
 C4 C3 H3 126.6 . . ?
 N21 C4 C3 110.62(17) . . ?
 N21 C4 C5 125.46(17) . . ?
 C5 C4 C3 123.92(17) . . ?
 C4 C5 C51 117.79(17) . . ?
 C6 C5 C4 122.10(18) . . ?
 C6 C5 C51 120.04(17) . . ?
 N22 C6 C7 110.42(16) . . ?
 C5 C6 N22 126.14(18) . . ?
 C5 C6 C7 123.43(17) . . ?
 C6 C7 H7 126.3 . . ?
 C8 C7 C6 107.45(17) . . ?
 C8 C7 H7 126.3 . . ?
 C7 C8 H8 126.8 . . ?
 C7 C8 C9 106.37(17) . . ?
 C9 C8 H8 126.8 . . ?
 N22 C9 C8 111.28(16) . . ?
 N22 C9 C10 125.44(17) . . ?
 C10 C9 C8 123.24(18) . . ?
 C9 C10 C101 119.24(17) . . ?
 C11 C10 C9 123.02(18) . . ?
 C11 C10 C101 117.71(17) . . ?
 N23 C11 C10 126.03(17) . . ?
 N23 C11 C12 111.28(16) . . ?
 C10 C11 C12 122.68(18) . . ?
 C11 C12 H12 126.7 . . ?
 C13 C12 C11 106.63(18) . . ?
 C13 C12 H12 126.7 . . ?
 C12 C13 H13 126.3 . . ?
 C12 C13 C14 107.37(17) . . ?
 C14 C13 H13 126.3 . . ?
 N23 C14 C13 110.52(17) . . ?
 C15 C14 N23 125.77(18) . . ?
 C15 C14 C13 123.70(17) . . ?
 C14 C15 C151 119.54(17) . . ?
 C16 C15 C14 122.05(18) . . ?
 C16 C15 C151 118.39(17) . . ?
 N24 C16 C15 125.75(17) . . ?
 N24 C16 C17 110.49(17) . . ?
 C15 C16 C17 123.76(17) . . ?
 C16 C17 H17 126.5 . . ?
 C18 C17 C16 106.93(17) . . ?
 C18 C17 H17 126.5 . . ?
 C17 C18 H18 126.4 . . ?
 C17 C18 C19 107.20(17) . . ?
 C19 C18 H18 126.4 . . ?
 N24 C19 C18 110.83(17) . . ?
 C20 C19 N24 125.77(17) . . ?
 C20 C19 C18 123.37(18) . . ?
 C1 C20 H20 118.0 . . ?
 C19 C20 C1 123.98(19) . . ?
 C19 C20 H20 118.0 . . ?
 C52 C51 C5 119.45(18) . . ?
 C52 C51 C56 119.08(19) . . ?
 C56 C51 C5 121.40(18) . . ?
 C51 C52 H52 119.7 . . ?
 C51 C52 C53 120.7(2) . . ?
 C53 C52 H52 119.7 . . ?
 C52 C53 H53 120.1 . . ?
 C54 C53 C52 119.9(2) . . ?
 C54 C53 H53 120.1 . . ?
 C53 C54 H54 120.0 . . ?
 C53 C54 C55 120.02(19) . . ?
 C55 C54 H54 120.0 . . ?
 C54 C55 H55 120.0 . . ?
 C54 C55 C56 120.1(2) . . ?
 C56 C55 H55 120.0 . . ?
 C51 C56 H56 119.9 . . ?
 C55 C56 C51 120.3(2) . . ?
 C55 C56 H56 119.9 . . ?
 C102 C101 C10 177.6(2) . . ?
 C101 C102 H102 180.0 . . ?
 C152 C151 C15 120.37(17) . . ?
 C152 C151 C156 118.79(18) . . ?
 C156 C151 C15 120.79(18) . . ?
 C151 C152 H152 119.6 . . ?
 C153 C152 C151 120.78(19) . . ?
 C153 C152 H152 119.6 . . ?
 C152 C153 H153 120.0 . . ?
 C154 C153 C152 120.0(2) . . ?
 C154 C153 H153 120.0 . . ?
 C153 C154 H154 120.1 . . ?
 C155 C154 C153 119.79(19) . . ?
 C155 C154 H154 120.1 . . ?
 C154 C155 H155 119.8 . . ?
 C154 C155 C156 120.38(19) . . ?
 C156 C155 H155 119.8 . . ?
 C151 C156 H156 119.9 . . ?
 C155 C156 C151 120.23(19) . . ?
 C155 C156 H156 119.9 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Ni1 N21 C1 C2 179.10(13) . . . . ?
 Ni1 N21 C1 C20 1.5(3) . . . . ?
 Ni1 N21 C4 C3 -178.23(12) . . . . ?
 Ni1 N21 C4 C5 2.0(3) . . . . ?
 Ni1 N22 C6 C5 0.7(3) . . . . ?
 Ni1 N22 C6 C7 -179.16(12) . . . . ?
 Ni1 N22 C9 C8 178.94(13) . . . . ?
 Ni1 N22 C9 C10 -3.3(3) . . . . ?
 Ni1 N23 C11 C10 -1.1(3) . . . . ?
 Ni1 N23 C11 C12 178.60(13) . . . . ?
 Ni1 N23 C14 C13 -179.30(13) . . . . ?
 Ni1 N23 C14 C15 -0.3(3) . . . . ?
 Ni1 N24 C16 C15 -1.3(3) . . . . ?
 Ni1 N24 C16 C17 178.53(12) . . . . ?
 Ni1 N24 C19 C18 -179.10(13) . . . . ?
 Ni1 N24 C19 C20 -1.0(3) . . . . ?
 N21 C1 C2 C3 -1.0(2) . . . . ?
 N21 C1 C20 C19 0.5(3) . . . . ?
 N21 C4 C5 C6 2.2(3) . . . . ?
 N21 C4 C5 C51 -174.70(18) . . . . ?
 N22 C6 C7 C8 -0.7(2) . . . . ?
 N22 C9 C10 C11 2.0(3) . . . . ?
 N22 C9 C10 C101 -175.69(17) . . . . ?
 N23 C11 C12 C13 0.5(2) . . . . ?
 N23 C14 C15 C16 2.8(3) . . . . ?
 N23 C14 C15 C151 -175.50(17) . . . . ?
 N24 C16 C17 C18 0.9(2) . . . . ?
 N24 C19 C20 C1 -0.7(3) . . . . ?
 C1 N21 C4 C3 0.6(2) . . . . ?
 C1 N21 C4 C5 -179.16(18) . . . . ?
 C1 C2 C3 C4 1.3(2) . . . . ?
 C2 C1 C20 C19 -176.91(18) . . . . ?
 C2 C3 C4 N21 -1.3(2) . . . . ?
 C2 C3 C4 C5 178.52(18) . . . . ?
 C3 C4 C5 C6 -177.58(18) . . . . ?
 C3 C4 C5 C51 5.5(3) . . . . ?
 C4 N21 C1 C2 0.2(2) . . . . ?
 C4 N21 C1 C20 -177.41(19) . . . . ?
 C4 C5 C6 N22 -3.5(3) . . . . ?
 C4 C5 C6 C7 176.27(18) . . . . ?
 C4 C5 C51 C52 105.9(2) . . . . ?
 C4 C5 C51 C56 -71.1(2) . . . . ?
 C5 C6 C7 C8 179.50(18) . . . . ?
 C5 C51 C52 C53 -176.02(19) . . . . ?
 C5 C51 C56 C55 176.08(19) . . . . ?
 C6 N22 C9 C8 -1.6(2) . . . . ?
 C6 N22 C9 C10 176.17(18) . . . . ?
 C6 C5 C51 C52 -71.0(3) . . . . ?
 C6 C5 C51 C56 112.0(2) . . . . ?
 C6 C7 C8 C9 -0.3(2) . . . . ?
 C7 C8 C9 N22 1.2(2) . . . . ?
 C7 C8 C9 C10 -176.60(18) . . . . ?
 C8 C9 C10 C11 179.51(18) . . . . ?
 C8 C9 C10 C101 1.8(3) . . . . ?
 C9 N22 C6 C5 -178.80(18) . . . . ?
 C9 N22 C6 C7 1.4(2) . . . . ?
 C9 C10 C11 N23 0.3(3) . . . . ?
 C9 C10 C11 C12 -179.36(18) . . . . ?
 C10 C11 C12 C13 -179.76(18) . . . . ?
 C11 N23 C14 C13 -1.1(2) . . . . ?
 C11 N23 C14 C15 177.97(18) . . . . ?
 C11 C12 C13 C14 -1.2(2) . . . . ?
 C12 C13 C14 N23 1.5(2) . . . . ?
 C12 C13 C14 C15 -177.61(18) . . . . ?
 C13 C14 C15 C16 -178.31(18) . . . . ?
 C13 C14 C15 C151 3.4(3) . . . . ?
 C14 N23 C11 C10 -179.34(18) . . . . ?
 C14 N23 C11 C12 0.3(2) . . . . ?
 C14 C15 C16 N24 -2.0(3) . . . . ?
 C14 C15 C16 C17 178.20(18) . . . . ?
 C14 C15 C151 C152 75.7(3) . . . . ?
 C14 C15 C151 C156 -106.8(2) . . . . ?
 C15 C16 C17 C18 -179.24(18) . . . . ?
 C15 C151 C152 C153 177.25(19) . . . . ?
 C15 C151 C156 C155 -177.41(19) . . . . ?
 C16 N24 C19 C18 0.0(2) . . . . ?
 C16 N24 C19 C20 178.10(18) . . . . ?
 C16 C15 C151 C152 -102.6(2) . . . . ?
 C16 C15 C151 C156 74.8(2) . . . . ?
 C16 C17 C18 C19 -0.9(2) . . . . ?
 C17 C18 C19 N24 0.6(2) . . . . ?
 C17 C18 C19 C20 -177.59(18) . . . . ?
 C18 C19 C20 C1 177.18(19) . . . . ?
 C19 N24 C16 C15 179.62(18) . . . . ?
 C19 N24 C16 C17 -0.5(2) . . . . ?
 C20 C1 C2 C3 176.69(19) . . . . ?
 C51 C5 C6 N22 173.28(18) . . . . ?
 C51 C5 C6 C7 -6.9(3) . . . . ?
 C51 C52 C53 C54 -0.3(3) . . . . ?
 C52 C51 C56 C55 -0.9(3) . . . . ?
 C52 C53 C54 C55 -0.7(3) . . . . ?
 C53 C54 C55 C56 0.8(3) . . . . ?
 C54 C55 C56 C51 0.0(3) . . . . ?
 C56 C51 C52 C53 1.0(3) . . . . ?
 C101 C10 C11 N23 177.99(17) . . . . ?
 C101 C10 C11 C12 -1.7(3) . . . . ?
 C151 C15 C16 N24 176.33(18) . . . . ?
 C151 C15 C16 C17 -3.5(3) . . . . ?
 C151 C152 C153 C154 0.2(3) . . . . ?
 C152 C151 C156 C155 0.1(3) . . . . ?
 C152 C153 C154 C155 0.1(3) . . . . ?
 C153 C154 C155 C156 -0.3(3) . . . . ?
 C154 C155 C156 C151 0.2(3) . . . . ?
 C156 C151 C152 C153 -0.2(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_vrf_PLAT029_ms546
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.967 Why?  
RESPONSE: This is due to weak high angle data.
;
_vrf_PLAT911_ms546
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.590        135 Report
RESPONSE: The structure was collected to 97% resulting in the missing 
reflections.
;
