#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:25:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180338 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/07/7200765.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7200765
loop_
_publ_author_name
'McMurtrie, John'
'Dance, Ian'
_publ_section_title
;
 Crystal packing in metal complexes of 4′-phenylterpyridine and
 related ligands: occurrence of the 2D and 1D terpy embrace arrays
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1141
_journal_paper_doi               10.1039/b821883h
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C42 H30 N6 Ni1, 2(P1 F6), 4(C2 H3 N1)'
_chemical_formula_sum            'C50 H42 F12 N10 Ni P2'
_chemical_formula_weight         1131.59
_chemical_name_common            '[Ni(terpyPh)2](PF6)2.4MeCN'
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.370(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.278(1)
_cell_length_b                   12.330(1)
_cell_length_c                   31.945(4)
_cell_measurement_reflns_used    1023
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.228
_cell_measurement_theta_min      2.360
_cell_volume                     4822.0(8)
_computing_cell_refinement       'SAINT (Bruker,1995)'
_computing_data_collection       'SMART (Bruker,1995)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 1995)'
_computing_molecular_graphics
;ORTEPIII (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
;
_computing_publication_material  'enCIFer 1.0 (CCDC, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'BRUKER SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            32217
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.79
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.565
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.318
_exptl_crystal_size_mid          0.279
_exptl_crystal_size_min          0.164
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.033(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         11544
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0080P)²+21.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                11020
_reflns_number_total             11544
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821883h.txt
_cod_data_source_block           jcm10_1a
_cod_original_cell_volume        4822.0(9)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7200765
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.92384(2) 0.79085(3) 0.475471(13) 0.01647(7) Uani 1 1 d . . .
P1A P 0.63600(15) 0.63614(15) 0.61035(6) 0.0267(3) Uiso 0.60 1 d PD A 1
F1A F 0.5911(4) 0.5702(4) 0.57098(16) 0.0483(4) Uiso 0.60 1 d PD A 1
F2A F 0.5119(5) 0.6431(5) 0.6247(2) 0.0483(4) Uiso 0.60 1 d PD A 1
F3A F 0.6744(4) 0.7074(4) 0.65005(14) 0.0483(4) Uiso 0.60 1 d PD A 1
F4A F 0.7546(4) 0.6340(4) 0.59629(15) 0.0483(4) Uiso 0.60 1 d PD A 1
F5A F 0.6120(4) 0.7445(4) 0.58412(14) 0.0483(4) Uiso 0.60 1 d PD A 1
F6A F 0.6566(4) 0.5307(4) 0.63589(15) 0.0483(4) Uiso 0.60 1 d PD A 1
P1B P 0.6180(2) 0.6552(2) 0.60934(9) 0.0267(3) Uiso 0.40 1 d PD B 2
F1B F 0.6110(6) 0.5523(6) 0.5770(2) 0.0483(4) Uiso 0.40 1 d PD B 2
F2B F 0.5034(7) 0.6243(7) 0.6225(3) 0.0483(4) Uiso 0.40 1 d PD B 2
F3B F 0.6349(5) 0.7441(5) 0.6422(2) 0.0483(4) Uiso 0.40 1 d PD B 2
F4B F 0.7390(5) 0.6747(5) 0.5954(2) 0.0483(4) Uiso 0.40 1 d PD B 2
F5B F 0.5704(5) 0.7296(5) 0.5742(2) 0.0483(4) Uiso 0.40 1 d PD B 2
F6B F 0.6697(6) 0.5668(5) 0.6442(2) 0.0483(4) Uiso 0.40 1 d PD B 2
P2A P 1.0434(2) 0.4629(2) 0.34567(9) 0.0285(3) Uiso 0.50 1 d PD C 1
F7A F 0.9700(5) 0.4262(5) 0.37817(18) 0.0586(4) Uiso 0.50 1 d PD C 1
F8A F 1.0383(5) 0.5856(5) 0.3607(2) 0.0586(4) Uiso 0.50 1 d PD C 1
F9A F 1.1339(5) 0.5019(5) 0.31361(19) 0.0586(4) Uiso 0.50 1 d PD C 1
F10A F 1.0632(5) 0.3452(5) 0.3301(2) 0.0586(4) Uiso 0.50 1 d PD C 1
F11A F 0.9539(5) 0.4840(5) 0.31047(18) 0.0586(4) Uiso 0.50 1 d PD C 1
F12A F 1.1484(5) 0.4470(5) 0.37905(19) 0.0586(4) Uiso 0.50 1 d PD C 1
P2B P 1.0577(2) 0.4801(2) 0.34543(9) 0.0285(3) Uiso 0.50 1 d PD D 2
F7B F 0.9456(5) 0.4741(5) 0.36767(19) 0.0586(4) Uiso 0.50 1 d PD D 2
F8B F 1.0798(5) 0.5936(5) 0.3648(2) 0.0586(4) Uiso 0.50 1 d PD D 2
F9B F 1.1662(5) 0.4790(5) 0.32474(19) 0.0586(4) Uiso 0.50 1 d PD D 2
F10B F 1.0346(5) 0.3571(5) 0.3285(2) 0.0586(4) Uiso 0.50 1 d PD D 2
F11B F 0.9961(5) 0.5236(5) 0.30446(18) 0.0586(4) Uiso 0.50 1 d PD D 2
F12B F 1.1162(5) 0.4304(5) 0.38701(19) 0.0586(4) Uiso 0.50 1 d PD D 2
N1 N 0.9931(2) 0.6411(2) 0.49170(8) 0.0179(5) Uani 1 1 d . . .
N2 N 0.9368(2) 0.7988(2) 0.53667(9) 0.0179(6) Uani 1 1 d . . .
N3 N 0.8585(2) 0.9427(2) 0.48571(8) 0.0189(5) Uani 1 1 d . . .
N4 N 1.0722(2) 0.8579(2) 0.46113(8) 0.0190(5) Uani 1 1 d . . .
N5 N 0.9106(2) 0.7863(2) 0.41416(9) 0.0174(6) Uani 1 1 d . . .
N6 N 0.7691(2) 0.7248(2) 0.46322(8) 0.0182(5) Uani 1 1 d . . .
N7 N 0.7331(3) 0.2921(4) 0.58445(13) 0.0609(12) Uani 1 1 d . . .
N8 N 0.6235(5) 1.0002(4) 0.65321(17) 0.0897(18) Uani 1 1 d U . .
N9 N 0.6890(4) 0.4567(5) 0.30036(16) 0.0823(17) Uani 1 1 d U . .
N10 N 1.4115(4) 0.5716(4) 0.35908(14) 0.0616(12) Uani 1 1 d . . .
C1 C 1.0166(2) 0.5631(3) 0.46588(10) 0.0219(6) Uani 1 1 d . . .
H1 H 1.0058 0.5752 0.4365 0.026 Uiso 1 1 calc R . .
C2 C 1.0561(3) 0.4646(3) 0.48003(12) 0.0265(7) Uani 1 1 d . . .
H2 H 1.0711 0.4088 0.4608 0.032 Uiso 1 1 calc R . .
C3 C 1.0734(3) 0.4481(3) 0.52201(13) 0.0312(8) Uani 1 1 d . . .
H3 H 1.1003 0.3803 0.5325 0.037 Uiso 1 1 calc R . .
C4 C 1.0520(3) 0.5298(3) 0.54919(10) 0.0257(7) Uani 1 1 d . . .
H4 H 1.0659 0.5206 0.5786 0.031 Uiso 1 1 calc R . .
C5 C 1.0100(2) 0.6253(2) 0.53304(10) 0.0200(6) Uani 1 1 d . . .
C6 C 0.9788(2) 0.7158(2) 0.55866(9) 0.0191(6) Uani 1 1 d . . .
C7 C 0.9881(3) 0.7188(3) 0.60180(10) 0.0226(6) Uani 1 1 d . . .
H7 H 1.0192 0.6595 0.6175 0.027 Uiso 1 1 calc R . .
C8 C 0.9522(3) 0.8083(3) 0.62183(11) 0.0229(7) Uani 1 1 d . . .
C9 C 0.9092(3) 0.8934(3) 0.59831(10) 0.0225(6) Uani 1 1 d . . .
H9 H 0.8833 0.9562 0.6116 0.027 Uiso 1 1 calc R . .
C10 C 0.9041(2) 0.8869(2) 0.55559(10) 0.0204(6) Uani 1 1 d . . .
C11 C 0.8624(2) 0.9712(2) 0.52629(9) 0.0193(6) Uani 1 1 d . . .
C12 C 0.8301(3) 1.0713(3) 0.53826(10) 0.0248(6) Uani 1 1 d . . .
H12 H 0.8344 1.0908 0.5671 0.030 Uiso 1 1 calc R . .
C13 C 0.7911(3) 1.1436(3) 0.50802(13) 0.0311(8) Uani 1 1 d . . .
H13 H 0.7680 1.2139 0.5158 0.037 Uiso 1 1 calc R . .
C14 C 0.7858(3) 1.1140(3) 0.46695(11) 0.0273(7) Uani 1 1 d . . .
H14 H 0.7588 1.1628 0.4456 0.033 Uiso 1 1 calc R . .
C15 C 0.8202(2) 1.0122(3) 0.45707(10) 0.0223(6) Uani 1 1 d . . .
H15 H 0.8162 0.9910 0.4284 0.027 Uiso 1 1 calc R . .
C16 C 0.9616(3) 0.8141(3) 0.66792(11) 0.0247(7) Uani 1 1 d . . .
C17 C 0.9547(3) 0.7203(3) 0.69127(11) 0.0319(7) Uani 1 1 d . . .
H17 H 0.9408 0.6529 0.6775 0.038 Uiso 1 1 calc R . .
C18 C 0.9681(3) 0.7242(3) 0.73431(11) 0.0373(9) Uani 1 1 d . . .
H18 H 0.9644 0.6595 0.7503 0.045 Uiso 1 1 calc R . .
C19 C 0.9866(4) 0.8211(4) 0.75399(12) 0.0374(9) Uani 1 1 d . . .
H19 H 0.9970 0.8237 0.7838 0.045 Uiso 1 1 calc R . .
C20 C 0.9904(3) 0.9136(3) 0.73147(11) 0.0364(8) Uani 1 1 d . . .
H20 H 1.0017 0.9811 0.7455 0.044 Uiso 1 1 calc R . .
C21 C 0.9779(3) 0.9105(3) 0.68840(11) 0.0306(7) Uani 1 1 d . . .
H21 H 0.9806 0.9758 0.6728 0.037 Uiso 1 1 calc R . .
C22 C 1.1530(3) 0.8915(3) 0.48757(10) 0.0234(6) Uani 1 1 d . . .
H22 H 1.1435 0.8885 0.5168 0.028 Uiso 1 1 calc R . .
C23 C 1.2491(3) 0.9301(3) 0.47508(11) 0.0270(7) Uani 1 1 d . . .
H23 H 1.3059 0.9527 0.4950 0.032 Uiso 1 1 calc R . .
C24 C 1.2616(3) 0.9355(3) 0.43291(12) 0.0291(8) Uani 1 1 d . . .
H24 H 1.3277 0.9619 0.4230 0.035 Uiso 1 1 calc R . .
C25 C 1.1774(3) 0.9022(3) 0.40511(11) 0.0271(7) Uani 1 1 d . . .
H25 H 1.1841 0.9064 0.3757 0.033 Uiso 1 1 calc R . .
C26 C 1.0846(2) 0.8633(2) 0.42006(10) 0.0209(6) Uani 1 1 d . . .
C27 C 0.9901(2) 0.8247(2) 0.39295(9) 0.0185(5) Uani 1 1 d . . .
C28 C 0.9804(3) 0.8275(3) 0.35005(9) 0.0216(6) Uani 1 1 d . . .
H28 H 1.0378 0.8561 0.3351 0.026 Uiso 1 1 calc R . .
C29 C 0.8877(3) 0.7890(3) 0.32885(11) 0.0220(7) Uani 1 1 d . . .
C30 C 0.8055(3) 0.7490(3) 0.35169(10) 0.0221(6) Uani 1 1 d . . .
H30 H 0.7404 0.7209 0.3377 0.027 Uiso 1 1 calc R . .
C31 C 0.8185(2) 0.7503(2) 0.39434(9) 0.0189(6) Uani 1 1 d . . .
C32 C 0.7372(2) 0.7168(2) 0.42251(9) 0.0194(6) Uani 1 1 d . . .
C33 C 0.6347(3) 0.6812(3) 0.40911(10) 0.0261(7) Uani 1 1 d . . .
H33 H 0.6132 0.6755 0.3800 0.031 Uiso 1 1 calc R . .
C34 C 0.5644(3) 0.6542(3) 0.43826(13) 0.0308(8) Uani 1 1 d . . .
H34 H 0.4927 0.6300 0.4296 0.037 Uiso 1 1 calc R . .
C35 C 0.5963(3) 0.6618(3) 0.47977(11) 0.0272(7) Uani 1 1 d . . .
H35 H 0.5481 0.6431 0.5005 0.033 Uiso 1 1 calc R . .
C36 C 0.7007(3) 0.6974(3) 0.49087(10) 0.0218(6) Uani 1 1 d . . .
H36 H 0.7241 0.7024 0.5198 0.026 Uiso 1 1 calc R . .
C37 C 0.8741(3) 0.7914(3) 0.28293(11) 0.0243(7) Uani 1 1 d . . .
C38 C 0.9630(3) 0.7833(3) 0.25971(10) 0.0311(7) Uani 1 1 d . . .
H38 H 1.0336 0.7723 0.2734 0.037 Uiso 1 1 calc R . .
C39 C 0.9505(3) 0.7912(3) 0.21677(11) 0.0367(8) Uani 1 1 d . . .
H39 H 1.0126 0.7859 0.2009 0.044 Uiso 1 1 calc R . .
C40 C 0.8499(4) 0.8065(4) 0.19683(12) 0.0362(9) Uani 1 1 d . . .
H40 H 0.8419 0.8131 0.1671 0.043 Uiso 1 1 calc R . .
C41 C 0.7601(3) 0.8123(3) 0.21959(11) 0.0351(8) Uani 1 1 d . . .
H41 H 0.6895 0.8206 0.2056 0.042 Uiso 1 1 calc R . .
C42 C 0.7715(3) 0.8064(3) 0.26239(11) 0.0301(7) Uani 1 1 d . . .
H42 H 0.7092 0.8125 0.2781 0.036 Uiso 1 1 calc R . .
C43 C 0.7946(4) 0.3439(4) 0.60221(14) 0.0439(10) Uani 1 1 d . . .
C44 C 0.8772(4) 0.4087(4) 0.62424(17) 0.0578(12) Uani 1 1 d . . .
H44A H 0.9486 0.3742 0.6225 0.087 Uiso 1 1 calc R . .
H44B H 0.8615 0.4151 0.6538 0.087 Uiso 1 1 calc R . .
H44C H 0.8780 0.4810 0.6116 0.087 Uiso 1 1 calc R . .
C45 C 0.6544(4) 0.9572(4) 0.68239(15) 0.0542(13) Uani 1 1 d . . .
C46 C 0.6948(4) 0.9015(4) 0.71944(14) 0.0506(11) Uani 1 1 d . . .
H46A H 0.7687 0.9270 0.7280 0.076 Uiso 1 1 calc R . .
H46B H 0.6966 0.8234 0.7138 0.076 Uiso 1 1 calc R . .
H46C H 0.6468 0.9157 0.7420 0.076 Uiso 1 1 calc R . .
C47 C 0.7284(4) 0.4848(5) 0.27259(17) 0.0548(13) Uani 1 1 d . . .
C48 C 0.7781(4) 0.5193(4) 0.23578(14) 0.0508(11) Uani 1 1 d . . .
H48A H 0.7343 0.5773 0.2220 0.076 Uiso 1 1 calc R . .
H48B H 0.7822 0.4579 0.2165 0.076 Uiso 1 1 calc R . .
H48C H 0.8519 0.5463 0.2437 0.076 Uiso 1 1 calc R . .
C49 C 1.3534(4) 0.6349(4) 0.34545(13) 0.0422(9) Uani 1 1 d . . .
C50 C 1.2839(5) 0.7170(5) 0.32789(18) 0.0611(13) Uani 1 1 d . . .
H50A H 1.2810 0.7126 0.2972 0.092 Uiso 1 1 calc R . .
H50B H 1.3123 0.7882 0.3370 0.092 Uiso 1 1 calc R . .
H50C H 1.2104 0.7072 0.3372 0.092 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Ni1 N5 178.75(11) . . ?
N2 Ni1 N3 78.45(11) . . ?
N5 Ni1 N3 100.38(10) . . ?
N2 Ni1 N6 102.25(11) . . ?
N5 Ni1 N6 78.17(11) . . ?
N3 Ni1 N6 91.41(10) . . ?
N2 Ni1 N1 78.13(11) . . ?
N5 Ni1 N1 103.04(10) . . ?
N3 Ni1 N1 156.57(10) . . ?
N6 Ni1 N1 92.85(10) . . ?
N2 Ni1 N4 101.20(11) . . ?
N5 Ni1 N4 78.36(11) . . ?
N3 Ni1 N4 91.79(10) . . ?
N6 Ni1 N4 156.50(10) . . ?
N1 Ni1 N4 93.40(10) . . ?
F6A P1A F4A 91.1(3) . . ?
F6A P1A F1A 91.2(3) . . ?
F4A P1A F1A 92.3(3) . . ?
F6A P1A F3A 91.0(3) . . ?
F4A P1A F3A 90.7(3) . . ?
F1A P1A F3A 176.3(3) . . ?
F6A P1A F5A 178.8(3) . . ?
F4A P1A F5A 90.1(3) . . ?
F1A P1A F5A 88.5(3) . . ?
F3A P1A F5A 89.3(3) . . ?
F6A P1A F2A 90.8(3) . . ?
F4A P1A F2A 177.9(3) . . ?
F1A P1A F2A 88.5(3) . . ?
F3A P1A F2A 88.5(3) . . ?
F5A P1A F2A 88.0(3) . . ?
F3B P1B F5B 95.6(4) . . ?
F3B P1B F2B 93.9(4) . . ?
F5B P1B F2B 92.4(5) . . ?
F3B P1B F4B 90.2(4) . . ?
F5B P1B F4B 90.9(4) . . ?
F2B P1B F4B 174.4(4) . . ?
F3B P1B F1B 173.5(4) . . ?
F5B P1B F1B 90.2(4) . . ?
F2B P1B F1B 88.6(4) . . ?
F4B P1B F1B 86.9(4) . . ?
F3B P1B F6B 89.1(4) . . ?
F5B P1B F6B 175.2(4) . . ?
F2B P1B F6B 88.0(5) . . ?
F4B P1B F6B 88.3(4) . . ?
F1B P1B F6B 85.1(3) . . ?
F7A P2A F11A 97.1(4) . . ?
F7A P2A F10A 93.2(4) . . ?
F11A P2A F10A 92.6(4) . . ?
F7A P2A F8A 92.2(4) . . ?
F11A P2A F8A 91.0(3) . . ?
F10A P2A F8A 173.1(4) . . ?
F7A P2A F12A 89.9(3) . . ?
F11A P2A F12A 172.9(4) . . ?
F10A P2A F12A 87.8(4) . . ?
F8A P2A F12A 87.9(3) . . ?
F7A P2A F9A 174.4(4) . . ?
F11A P2A F9A 88.5(3) . . ?
F10A P2A F9A 86.9(4) . . ?
F8A P2A F9A 87.3(3) . . ?
F12A P2A F9A 84.5(3) . . ?
F9B P2B F8B 92.8(3) . . ?
F9B P2B F11B 91.3(3) . . ?
F8B P2B F11B 94.9(4) . . ?
F9B P2B F12B 90.3(3) . . ?
F8B P2B F12B 87.7(4) . . ?
F11B P2B F12B 176.9(4) . . ?
F9B P2B F7B 176.7(4) . . ?
F8B P2B F7B 89.7(3) . . ?
F11B P2B F7B 90.6(3) . . ?
F12B P2B F7B 87.7(3) . . ?
F9B P2B F10B 89.0(4) . . ?
F8B P2B F10B 175.8(4) . . ?
F11B P2B F10B 88.8(4) . . ?
F12B P2B F10B 88.5(4) . . ?
F7B P2B F10B 88.3(3) . . ?
C1 N1 C5 119.3(3) . . ?
C1 N1 Ni1 126.7(2) . . ?
C5 N1 Ni1 113.9(2) . . ?
C10 N2 C6 120.8(3) . . ?
C10 N2 Ni1 119.7(2) . . ?
C6 N2 Ni1 119.5(2) . . ?
C15 N3 C11 119.2(3) . . ?
C15 N3 Ni1 127.0(2) . . ?
C11 N3 Ni1 113.8(2) . . ?
C22 N4 C26 118.5(3) . . ?
C22 N4 Ni1 127.7(2) . . ?
C26 N4 Ni1 113.8(2) . . ?
C27 N5 C31 120.7(3) . . ?
C27 N5 Ni1 119.8(2) . . ?
C31 N5 Ni1 119.3(2) . . ?
C36 N6 C32 118.9(3) . . ?
C36 N6 Ni1 126.8(2) . . ?
C32 N6 Ni1 114.21(19) . . ?
N1 C1 C2 122.0(3) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 118.9(3) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 118.6(3) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 121.6(3) . . ?
N1 C5 C6 114.6(3) . . ?
C4 C5 C6 123.7(3) . . ?
N2 C6 C7 120.7(3) . . ?
N2 C6 C5 113.8(3) . . ?
C7 C6 C5 125.5(3) . . ?
C8 C7 C6 119.1(3) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C7 C8 C9 119.1(3) . . ?
C7 C8 C16 120.3(3) . . ?
C9 C8 C16 120.6(3) . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N2 C10 C9 121.0(3) . . ?
N2 C10 C11 113.3(3) . . ?
C9 C10 C11 125.7(3) . . ?
N3 C11 C12 121.3(3) . . ?
N3 C11 C10 114.6(3) . . ?
C12 C11 C10 124.0(3) . . ?
C11 C12 C13 119.0(3) . . ?
C11 C12 H12 120.5 . . ?
C13 C12 H12 120.5 . . ?
C14 C13 C12 119.5(3) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 118.4(3) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 120.8 . . ?
N3 C15 C14 122.5(3) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C21 C16 C17 118.9(3) . . ?
C21 C16 C8 121.3(3) . . ?
C17 C16 C8 119.8(3) . . ?
C18 C17 C16 120.2(4) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C19 C18 C17 119.8(4) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C18 120.4(4) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.2(4) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C16 C21 C20 120.4(4) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
N4 C22 C23 123.3(3) . . ?
N4 C22 H22 118.4 . . ?
C23 C22 H22 118.4 . . ?
C22 C23 C24 118.1(3) . . ?
C22 C23 H23 121.0 . . ?
C24 C23 H23 121.0 . . ?
C23 C24 C25 119.1(3) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 119.3(3) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
N4 C26 C25 121.7(3) . . ?
N4 C26 C27 114.7(3) . . ?
C25 C26 C27 123.6(3) . . ?
N5 C27 C28 120.9(3) . . ?
N5 C27 C26 113.3(3) . . ?
C28 C27 C26 125.8(3) . . ?
C29 C28 C27 119.6(3) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 118.5(3) . . ?
C28 C29 C37 121.1(3) . . ?
C30 C29 C37 120.3(3) . . ?
C31 C30 C29 119.4(3) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
N5 C31 C30 120.8(3) . . ?
N5 C31 C32 113.5(3) . . ?
C30 C31 C32 125.6(3) . . ?
N6 C32 C33 121.6(3) . . ?
N6 C32 C31 114.7(3) . . ?
C33 C32 C31 123.7(3) . . ?
C34 C33 C32 118.7(3) . . ?
C34 C33 H33 120.6 . . ?
C32 C33 H33 120.6 . . ?
C35 C34 C33 120.1(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 117.9(3) . . ?
C34 C35 H35 121.0 . . ?
C36 C35 H35 121.0 . . ?
N6 C36 C35 122.8(3) . . ?
N6 C36 H36 118.6 . . ?
C35 C36 H36 118.6 . . ?
C38 C37 C42 119.1(3) . . ?
C38 C37 C29 120.4(3) . . ?
C42 C37 C29 120.4(3) . . ?
C37 C38 C39 120.3(4) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C40 C39 C38 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.9(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.3(4) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C37 120.1(3) . . ?
C41 C42 H42 120.0 . . ?
C37 C42 H42 120.0 . . ?
N7 C43 C44 177.7(5) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N8 C45 C46 179.3(7) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N9 C47 C48 178.4(7) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N10 C49 C50 177.7(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
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 N2 1.952(3) . ?
Ni1 N5 1.954(3) . ?
Ni1 N3 2.073(3) . ?
Ni1 N6 2.076(3) . ?
Ni1 N1 2.082(3) . ?
Ni1 N4 2.083(3) . ?
P1A F6A 1.546(5) . ?
P1A F4A 1.556(5) . ?
P1A F1A 1.562(5) . ?
P1A F3A 1.585(5) . ?
P1A F5A 1.593(5) . ?
P1A F2A 1.626(6) . ?
P1B F3B 1.521(7) . ?
P1B F5B 1.530(7) . ?
P1B F2B 1.546(8) . ?
P1B F4B 1.601(7) . ?
P1B F1B 1.634(8) . ?
P1B F6B 1.651(7) . ?
P2A F7A 1.496(6) . ?
P2A F11A 1.534(6) . ?
P2A F10A 1.558(7) . ?
P2A F8A 1.591(6) . ?
P2A F12A 1.621(6) . ?
P2A F9A 1.639(6) . ?
P2B F9B 1.531(6) . ?
P2B F8B 1.546(6) . ?
P2B F11B 1.556(6) . ?
P2B F12B 1.585(6) . ?
P2B F7B 1.597(6) . ?
P2B F10B 1.628(7) . ?
N1 C1 1.314(4) . ?
N1 C5 1.335(4) . ?
N2 C10 1.320(4) . ?
N2 C6 1.323(4) . ?
N3 C15 1.314(4) . ?
N3 C11 1.340(4) . ?
N4 C22 1.319(4) . ?
N4 C26 1.334(4) . ?
N5 C27 1.317(4) . ?
N5 C31 1.330(4) . ?
N6 C36 1.309(4) . ?
N6 C32 1.333(4) . ?
N7 C43 1.111(6) . ?
N8 C45 1.114(7) . ?
N9 C47 1.099(6) . ?
N10 C49 1.123(6) . ?
C1 C2 1.372(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.357(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.369(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.453(4) . ?
C6 C7 1.375(4) . ?
C7 C8 1.366(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(5) . ?
C8 C16 1.470(5) . ?
C9 C10 1.364(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.465(4) . ?
C11 C12 1.360(4) . ?
C12 C13 1.374(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.358(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.369(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.364(5) . ?
C16 C17 1.383(5) . ?
C17 C18 1.373(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.361(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.351(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.361(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.369(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.373(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.357(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.473(4) . ?
C27 C28 1.367(4) . ?
C28 C29 1.364(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(5) . ?
C29 C37 1.464(5) . ?
C30 C31 1.359(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.454(4) . ?
C32 C33 1.370(4) . ?
C33 C34 1.359(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.357(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.375(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.369(5) . ?
C37 C42 1.387(5) . ?
C38 C39 1.372(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.360(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.368(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.366(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.433(7) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.424(6) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C48 1.430(6) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.412(7) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
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
N2 Ni1 N1 C1 177.9(3) . . . . ?
N5 Ni1 N1 C1 -2.6(3) . . . . ?
N3 Ni1 N1 C1 176.2(2) . . . . ?
N6 Ni1 N1 C1 76.0(3) . . . . ?
N4 Ni1 N1 C1 -81.4(3) . . . . ?
N2 Ni1 N1 C5 0.5(2) . . . . ?
N5 Ni1 N1 C5 -179.9(2) . . . . ?
N3 Ni1 N1 C5 -1.2(4) . . . . ?
N6 Ni1 N1 C5 -101.4(2) . . . . ?
N4 Ni1 N1 C5 101.3(2) . . . . ?
N5 Ni1 N2 C10 20(7) . . . . ?
N3 Ni1 N2 C10 -0.9(2) . . . . ?
N6 Ni1 N2 C10 -89.9(2) . . . . ?
N1 Ni1 N2 C10 179.8(3) . . . . ?
N4 Ni1 N2 C10 88.6(2) . . . . ?
N5 Ni1 N2 C6 -160(6) . . . . ?
N3 Ni1 N2 C6 179.3(3) . . . . ?
N6 Ni1 N2 C6 90.4(2) . . . . ?
N1 Ni1 N2 C6 0.0(2) . . . . ?
N4 Ni1 N2 C6 -91.1(2) . . . . ?
N2 Ni1 N3 C15 179.7(3) . . . . ?
N5 Ni1 N3 C15 0.1(3) . . . . ?
N6 Ni1 N3 C15 -78.1(3) . . . . ?
N1 Ni1 N3 C15 -178.6(2) . . . . ?
N4 Ni1 N3 C15 78.6(3) . . . . ?
N2 Ni1 N3 C11 3.0(2) . . . . ?
N5 Ni1 N3 C11 -176.6(2) . . . . ?
N6 Ni1 N3 C11 105.2(2) . . . . ?
N1 Ni1 N3 C11 4.7(4) . . . . ?
N4 Ni1 N3 C11 -98.1(2) . . . . ?
N2 Ni1 N4 C22 2.5(3) . . . . ?
N5 Ni1 N4 C22 -178.7(3) . . . . ?
N3 Ni1 N4 C22 81.1(3) . . . . ?
N6 Ni1 N4 C22 178.8(3) . . . . ?
N1 Ni1 N4 C22 -76.1(3) . . . . ?
N2 Ni1 N4 C26 -179.4(2) . . . . ?
N5 Ni1 N4 C26 -0.6(2) . . . . ?
N3 Ni1 N4 C26 -100.8(2) . . . . ?
N6 Ni1 N4 C26 -3.2(4) . . . . ?
N1 Ni1 N4 C26 102.0(2) . . . . ?
N2 Ni1 N5 C27 68(7) . . . . ?
N3 Ni1 N5 C27 88.5(2) . . . . ?
N6 Ni1 N5 C27 177.8(3) . . . . ?
N1 Ni1 N5 C27 -92.0(2) . . . . ?
N4 Ni1 N5 C27 -1.2(2) . . . . ?
N2 Ni1 N5 C31 -108(6) . . . . ?
N3 Ni1 N5 C31 -87.6(2) . . . . ?
N6 Ni1 N5 C31 1.7(2) . . . . ?
N1 Ni1 N5 C31 91.9(2) . . . . ?
N4 Ni1 N5 C31 -177.3(3) . . . . ?
N2 Ni1 N6 C36 0.3(3) . . . . ?
N5 Ni1 N6 C36 -178.5(3) . . . . ?
N3 Ni1 N6 C36 -78.2(3) . . . . ?
N1 Ni1 N6 C36 78.8(3) . . . . ?
N4 Ni1 N6 C36 -175.9(2) . . . . ?
N2 Ni1 N6 C32 176.2(2) . . . . ?
N5 Ni1 N6 C32 -2.6(2) . . . . ?
N3 Ni1 N6 C32 97.7(2) . . . . ?
N1 Ni1 N6 C32 -105.3(2) . . . . ?
N4 Ni1 N6 C32 0.0(4) . . . . ?
C5 N1 C1 C2 1.3(5) . . . . ?
Ni1 N1 C1 C2 -175.9(2) . . . . ?
N1 C1 C2 C3 -1.3(5) . . . . ?
C1 C2 C3 C4 -0.5(6) . . . . ?
C2 C3 C4 C5 2.1(6) . . . . ?
C1 N1 C5 C4 0.4(4) . . . . ?
Ni1 N1 C5 C4 178.0(2) . . . . ?
C1 N1 C5 C6 -178.5(3) . . . . ?
Ni1 N1 C5 C6 -1.0(3) . . . . ?
C3 C4 C5 N1 -2.1(5) . . . . ?
C3 C4 C5 C6 176.8(3) . . . . ?
C10 N2 C6 C7 0.8(5) . . . . ?
Ni1 N2 C6 C7 -179.5(2) . . . . ?
C10 N2 C6 C5 179.7(3) . . . . ?
Ni1 N2 C6 C5 -0.6(4) . . . . ?
N1 C5 C6 N2 1.0(4) . . . . ?
C4 C5 C6 N2 -177.9(3) . . . . ?
N1 C5 C6 C7 179.9(3) . . . . ?
C4 C5 C6 C7 0.9(5) . . . . ?
N2 C6 C7 C8 0.8(5) . . . . ?
C5 C6 C7 C8 -178.0(3) . . . . ?
C6 C7 C8 C9 -1.0(5) . . . . ?
C6 C7 C8 C16 -179.7(3) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C16 C8 C9 C10 178.3(3) . . . . ?
C6 N2 C10 C9 -2.2(5) . . . . ?
Ni1 N2 C10 C9 178.1(2) . . . . ?
C6 N2 C10 C11 178.6(3) . . . . ?
Ni1 N2 C10 C11 -1.1(4) . . . . ?
C8 C9 C10 N2 2.0(5) . . . . ?
C8 C9 C10 C11 -178.9(3) . . . . ?
C15 N3 C11 C12 -1.7(4) . . . . ?
Ni1 N3 C11 C12 175.3(2) . . . . ?
C15 N3 C11 C10 178.6(3) . . . . ?
Ni1 N3 C11 C10 -4.4(3) . . . . ?
N2 C10 C11 N3 3.7(4) . . . . ?
C9 C10 C11 N3 -175.4(3) . . . . ?
N2 C10 C11 C12 -176.0(3) . . . . ?
C9 C10 C11 C12 4.9(5) . . . . ?
N3 C11 C12 C13 1.1(5) . . . . ?
C10 C11 C12 C13 -179.3(3) . . . . ?
C11 C12 C13 C14 -0.1(5) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C11 N3 C15 C14 1.3(5) . . . . ?
Ni1 N3 C15 C14 -175.2(2) . . . . ?
C13 C14 C15 N3 -0.4(5) . . . . ?
C7 C8 C16 C21 148.0(4) . . . . ?
C9 C8 C16 C21 -30.7(5) . . . . ?
C7 C8 C16 C17 -31.5(5) . . . . ?
C9 C8 C16 C17 149.8(4) . . . . ?
C21 C16 C17 C18 -2.3(6) . . . . ?
C8 C16 C17 C18 177.2(4) . . . . ?
C16 C17 C18 C19 0.9(6) . . . . ?
C17 C18 C19 C20 1.0(7) . . . . ?
C18 C19 C20 C21 -1.4(6) . . . . ?
C17 C16 C21 C20 1.8(6) . . . . ?
C8 C16 C21 C20 -177.6(4) . . . . ?
C19 C20 C21 C16 0.0(6) . . . . ?
C26 N4 C22 C23 -0.9(5) . . . . ?
Ni1 N4 C22 C23 177.1(3) . . . . ?
N4 C22 C23 C24 0.8(5) . . . . ?
C22 C23 C24 C25 0.1(6) . . . . ?
C23 C24 C25 C26 -1.0(6) . . . . ?
C22 N4 C26 C25 0.0(5) . . . . ?
Ni1 N4 C26 C25 -178.3(3) . . . . ?
C22 N4 C26 C27 -179.7(3) . . . . ?
Ni1 N4 C26 C27 2.0(3) . . . . ?
C24 C25 C26 N4 1.0(5) . . . . ?
C24 C25 C26 C27 -179.4(3) . . . . ?
C31 N5 C27 C28 -0.6(5) . . . . ?
Ni1 N5 C27 C28 -176.6(2) . . . . ?
C31 N5 C27 C26 178.6(3) . . . . ?
Ni1 N5 C27 C26 2.6(4) . . . . ?
N4 C26 C27 N5 -3.0(4) . . . . ?
C25 C26 C27 N5 177.4(3) . . . . ?
N4 C26 C27 C28 176.2(3) . . . . ?
C25 C26 C27 C28 -3.5(5) . . . . ?
N5 C27 C28 C29 -0.8(5) . . . . ?
C26 C27 C28 C29 -179.8(3) . . . . ?
C27 C28 C29 C30 0.7(5) . . . . ?
C27 C28 C29 C37 179.5(3) . . . . ?
C28 C29 C30 C31 0.7(5) . . . . ?
C37 C29 C30 C31 -178.2(3) . . . . ?
C27 N5 C31 C30 2.0(5) . . . . ?
Ni1 N5 C31 C30 178.1(2) . . . . ?
C27 N5 C31 C32 -176.6(3) . . . . ?
Ni1 N5 C31 C32 -0.6(4) . . . . ?
C29 C30 C31 N5 -2.1(5) . . . . ?
C29 C30 C31 C32 176.4(3) . . . . ?
C36 N6 C32 C33 0.3(5) . . . . ?
Ni1 N6 C32 C33 -175.9(3) . . . . ?
C36 N6 C32 C31 179.3(3) . . . . ?
Ni1 N6 C32 C31 3.1(3) . . . . ?
N5 C31 C32 N6 -1.7(4) . . . . ?
C30 C31 C32 N6 179.7(3) . . . . ?
N5 C31 C32 C33 177.2(3) . . . . ?
C30 C31 C32 C33 -1.4(5) . . . . ?
N6 C32 C33 C34 0.3(5) . . . . ?
C31 C32 C33 C34 -178.6(3) . . . . ?
C32 C33 C34 C35 -0.5(6) . . . . ?
C33 C34 C35 C36 0.1(6) . . . . ?
C32 N6 C36 C35 -0.8(5) . . . . ?
Ni1 N6 C36 C35 174.9(2) . . . . ?
C34 C35 C36 N6 0.6(5) . . . . ?
C28 C29 C37 C38 30.3(5) . . . . ?
C30 C29 C37 C38 -150.8(4) . . . . ?
C28 C29 C37 C42 -147.0(4) . . . . ?
C30 C29 C37 C42 31.8(5) . . . . ?
C42 C37 C38 C39 0.7(6) . . . . ?
C29 C37 C38 C39 -176.7(4) . . . . ?
C37 C38 C39 C40 -0.4(6) . . . . ?
C38 C39 C40 C41 -1.1(7) . . . . ?
C39 C40 C41 C42 2.1(7) . . . . ?
C40 C41 C42 C37 -1.7(6) . . . . ?
C38 C37 C42 C41 0.3(6) . . . . ?
C29 C37 C42 C41 177.7(3) . . . . ?
