#------------------------------------------------------------------------------
#$Date: 2019-10-15 10:31:52 +0300 (Tue, 15 Oct 2019) $
#$Revision: 219358 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/46/7234625.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_7234625
loop_
_publ_author_name
'Jan Sanning'
'Linda Stegemann'
'Pascal R. Ewen'
'Christian Schwermann'
'Constantin G. Daniliuc'
'Dongdong Zhang'
'Na Lin'
'Lian Duan'
'Daniel Wegner'
'Nikos L. Doltsinis'
'Cristian A. Strassert'
_publ_section_title
;
 Colour-tunable asymmetric cyclometalated Pt(ii) complexes and
 STM-assisted stability assessment of ancillary ligands for OLEDs
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2560
_journal_page_last               2565
_journal_paper_doi               10.1039/C6TC00093B
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C35 H29 F2 N4 P Pt'
_chemical_formula_weight         769.68
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.1050(10)
_cell_angle_beta                 104.3560(10)
_cell_angle_gamma                104.287(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2152(2)
_cell_length_b                   10.8813(2)
_cell_length_c                   15.7154(2)
_cell_measurement_reflns_used    4334
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      4.08
_cell_volume                     1613.63(5)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP (BrukerAXS, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15571
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         4.08
_exptl_absorpt_coefficient_mu    4.439
_exptl_absorpt_correction_T_max  0.8784
_exptl_absorpt_correction_T_min  0.6652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.795
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         7889
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0204P)²+9.8200P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                7212
_reflns_number_total             7889
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-2560.cif
_cod_data_source_block           dan7095
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7234625
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pt1 Pt 0.63706(2) 0.459832(18) 0.307282(13) 0.03046(7) Uani 1 1 d . . .
P1 P 0.72540(14) 0.29854(12) 0.27212(9) 0.0302(3) Uani 1 1 d . . .
N1 N 0.7524(5) 0.6160(4) 0.2663(3) 0.0335(9) Uani 1 1 d . . .
N2 N 0.8625(5) 0.6456(5) 0.2320(3) 0.0385(10) Uani 1 1 d . . .
C3 C 0.8779(6) 0.7690(6) 0.2232(4) 0.0398(12) Uani 1 1 d . . .
N4 N 0.7839(5) 0.8225(4) 0.2506(3) 0.0373(10) Uani 1 1 d . . .
C5 C 0.7077(6) 0.7227(5) 0.2766(4) 0.0338(11) Uani 1 1 d . . .
C6 C 0.5893(6) 0.7144(5) 0.3135(4) 0.0368(11) Uani 1 1 d . . .
N7 N 0.5433(5) 0.5978(4) 0.3347(3) 0.0329(9) Uani 1 1 d . . .
C8 C 0.5229(6) 0.8082(6) 0.3275(4) 0.0435(13) Uani 1 1 d . . .
H8 H 0.5533 0.8902 0.3132 0.052 Uiso 1 1 calc R . .
C9 C 0.4109(7) 0.7777(6) 0.3629(5) 0.0507(15) Uani 1 1 d . . .
H9 H 0.3634 0.8395 0.3720 0.061 Uiso 1 1 calc R . .
C10 C 0.3670(6) 0.6586(6) 0.3854(4) 0.0434(13) Uani 1 1 d . . .
H10 H 0.2918 0.6399 0.4108 0.052 Uiso 1 1 calc R . .
C11 C 0.4359(5) 0.5652(5) 0.3699(4) 0.0344(11) Uani 1 1 d . . .
C12 C 0.4088(6) 0.4324(5) 0.3874(4) 0.0370(11) Uani 1 1 d . . .
C13 C 0.3070(6) 0.3761(6) 0.4267(4) 0.0405(12) Uani 1 1 d . . .
C14 C 0.2853(6) 0.2521(6) 0.4446(4) 0.0434(13) Uani 1 1 d . . .
H14 H 0.2149 0.2158 0.4708 0.052 Uiso 1 1 calc R . .
C15 C 0.3723(6) 0.1858(6) 0.4219(4) 0.0429(13) Uani 1 1 d . . .
C16 C 0.4761(6) 0.2340(6) 0.3818(4) 0.0399(12) Uani 1 1 d . . .
H16 H 0.5324 0.1832 0.3672 0.048 Uiso 1 1 calc R . .
C17 C 0.4959(6) 0.3592(5) 0.3633(4) 0.0360(11) Uani 1 1 d . . .
C18 C 0.9906(7) 0.8440(6) 0.1857(4) 0.0432(13) Uani 1 1 d . . .
C19 C 1.0772(9) 0.9660(8) 0.2512(6) 0.079(3) Uani 1 1 d . . .
H19A H 1.1454 1.0161 0.2257 0.118 Uiso 1 1 calc R . .
H19B H 1.1262 0.9440 0.3061 0.118 Uiso 1 1 calc R . .
H19C H 1.0157 1.0162 0.2638 0.118 Uiso 1 1 calc R . .
C31 C 0.5920(6) 0.1613(5) 0.1966(4) 0.0371(11) Uani 1 1 d . . .
C32 C 0.4524(7) 0.1648(7) 0.1665(4) 0.0474(14) Uani 1 1 d . . .
H32 H 0.4266 0.2375 0.1863 0.057 Uiso 1 1 calc R . .
C33 C 0.3522(8) 0.0613(8) 0.1075(5) 0.063(2) Uani 1 1 d . . .
H33 H 0.2586 0.0644 0.0875 0.076 Uiso 1 1 calc R . .
C34 C 0.3875(9) -0.0456(8) 0.0781(4) 0.068(2) Uani 1 1 d . . .
H34 H 0.3180 -0.1156 0.0385 0.081 Uiso 1 1 calc R . .
C35 C 0.5248(10) -0.0511(7) 0.1062(5) 0.065(2) Uani 1 1 d . . .
H35 H 0.5485 -0.1251 0.0866 0.079 Uiso 1 1 calc R . .
C36 C 0.6280(7) 0.0535(6) 0.1639(4) 0.0458(14) Uani 1 1 d . . .
H36 H 0.7223 0.0515 0.1808 0.055 Uiso 1 1 calc R . .
C41 C 0.8094(6) 0.2455(5) 0.3727(4) 0.0340(11) Uani 1 1 d . . .
C42 C 0.8161(6) 0.1200(6) 0.3766(4) 0.0423(13) Uani 1 1 d . . .
H42 H 0.7767 0.0563 0.3248 0.051 Uiso 1 1 calc R . .
C43 C 0.8804(8) 0.0886(7) 0.4561(5) 0.0538(16) Uani 1 1 d . . .
H43 H 0.8840 0.0035 0.4582 0.065 Uiso 1 1 calc R . .
C44 C 0.9390(7) 0.1802(7) 0.5321(4) 0.0501(15) Uani 1 1 d . . .
H44 H 0.9811 0.1574 0.5861 0.060 Uiso 1 1 calc R . .
C45 C 0.9364(7) 0.3054(7) 0.5295(4) 0.0480(14) Uani 1 1 d . . .
H45 H 0.9792 0.3690 0.5811 0.058 Uiso 1 1 calc R . .
C46 C 0.8699(6) 0.3372(6) 0.4499(4) 0.0408(12) Uani 1 1 d . . .
H46 H 0.8660 0.4223 0.4485 0.049 Uiso 1 1 calc R . .
C51 C 0.8581(6) 0.3289(5) 0.2123(4) 0.0380(12) Uani 1 1 d . . .
C52 C 0.8210(8) 0.3604(7) 0.1276(4) 0.0545(17) Uani 1 1 d . . .
H52 H 0.7305 0.3694 0.1042 0.065 Uiso 1 1 calc R . .
C53 C 0.9153(9) 0.3782(8) 0.0781(5) 0.0628(19) Uani 1 1 d . . .
H53 H 0.8879 0.3964 0.0203 0.075 Uiso 1 1 calc R . .
C54 C 1.0469(9) 0.3698(9) 0.1118(5) 0.071(2) Uani 1 1 d . . .
H54 H 1.1110 0.3839 0.0776 0.086 Uiso 1 1 calc R . .
C55 C 1.0894(8) 0.3406(11) 0.1964(6) 0.082(3) Uani 1 1 d . . .
H55 H 1.1813 0.3347 0.2196 0.099 Uiso 1 1 calc R . .
C56 C 0.9928(7) 0.3200(8) 0.2461(5) 0.0604(19) Uani 1 1 d . . .
H56 H 1.0200 0.2999 0.3034 0.073 Uiso 1 1 calc R . .
F13 F 0.2225(4) 0.4434(4) 0.4497(3) 0.0527(9) Uani 1 1 d . . .
F15 F 0.3573(4) 0.0644(4) 0.4400(3) 0.0561(10) Uani 1 1 d . . .
C21 C 0.9197(9) 0.8759(9) 0.0975(5) 0.073(2) Uani 1 1 d . . .
H21A H 0.8611 0.9309 0.1072 0.110 Uiso 1 1 calc R . .
H21B H 0.8616 0.7969 0.0569 0.110 Uiso 1 1 calc R . .
H21C H 0.9909 0.9204 0.0717 0.110 Uiso 1 1 calc R . .
C20 C 1.0864(9) 0.7604(9) 0.1691(7) 0.080(3) Uani 1 1 d . . .
H20A H 1.1591 0.8087 0.1461 0.120 Uiso 1 1 calc R . .
H20B H 1.0306 0.6831 0.1260 0.120 Uiso 1 1 calc R . .
H20C H 1.1298 0.7365 0.2247 0.120 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'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 '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
C17 Pt1 N7 80.7(2) . .
C17 Pt1 N1 158.9(2) . .
N7 Pt1 N1 78.30(17) . .
C17 Pt1 P1 96.84(16) . .
N7 Pt1 P1 176.01(13) . .
N1 Pt1 P1 104.24(13) . .
C51 P1 C31 101.2(3) . .
C51 P1 C41 104.5(3) . .
C31 P1 C41 109.3(2) . .
C51 P1 Pt1 118.05(19) . .
C31 P1 Pt1 112.5(2) . .
C41 P1 Pt1 110.59(18) . .
N2 N1 C5 107.7(4) . .
N2 N1 Pt1 138.9(3) . .
C5 N1 Pt1 113.3(3) . .
C3 N2 N1 104.1(5) . .
N2 C3 N4 114.6(5) . .
N2 C3 C18 122.8(6) . .
N4 C3 C18 122.6(5) . .
C5 N4 C3 101.1(5) . .
N4 C5 N1 112.4(5) . .
N4 C5 C6 129.7(5) . .
N1 C5 C6 117.8(5) . .
N7 C6 C8 119.7(5) . .
N7 C6 C5 112.1(5) . .
C8 C6 C5 128.3(5) . .
C11 N7 C6 124.0(5) . .
C11 N7 Pt1 117.5(3) . .
C6 N7 Pt1 118.4(4) . .
C9 C8 C6 118.0(6) . .
C9 C8 H8 121.0 . .
C6 C8 H8 121.0 . .
C10 C9 C8 121.4(6) . .
C10 C9 H9 119.3 . .
C8 C9 H9 119.3 . .
C9 C10 C11 119.3(5) . .
C9 C10 H10 120.4 . .
C11 C10 H10 120.4 . .
N7 C11 C10 117.7(5) . .
N7 C11 C12 112.7(5) . .
C10 C11 C12 129.6(5) . .
C13 C12 C17 118.7(5) . .
C13 C12 C11 124.5(5) . .
C17 C12 C11 116.8(5) . .
F13 C13 C14 116.4(5) . .
F13 C13 C12 119.8(5) . .
C14 C13 C12 123.7(6) . .
C15 C14 C13 115.8(5) . .
C15 C14 H14 122.1 . .
C13 C14 H14 122.1 . .
F15 C15 C14 118.1(5) . .
F15 C15 C16 117.5(6) . .
C14 C15 C16 124.4(5) . .
C15 C16 C17 119.1(6) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C16 C17 C12 118.2(5) . .
C16 C17 Pt1 129.6(4) . .
C12 C17 Pt1 112.1(4) . .
C19 C18 C21 110.4(7) . .
C19 C18 C3 109.6(5) . .
C21 C18 C3 108.9(5) . .
C19 C18 C20 109.8(7) . .
C21 C18 C20 108.6(7) . .
C3 C18 C20 109.5(5) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C36 C31 C32 118.7(6) . .
C36 C31 P1 120.9(5) . .
C32 C31 P1 120.3(5) . .
C33 C32 C31 120.0(7) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C34 C33 C32 120.9(8) . .
C34 C33 H33 119.6 . .
C32 C33 H33 119.6 . .
C33 C34 C35 120.2(7) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C36 119.8(7) . .
C34 C35 H35 120.1 . .
C36 C35 H35 120.1 . .
C35 C36 C31 120.3(7) . .
C35 C36 H36 119.8 . .
C31 C36 H36 119.8 . .
C46 C41 C42 118.3(5) . .
C46 C41 P1 117.3(4) . .
C42 C41 P1 124.4(4) . .
C43 C42 C41 120.2(6) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C44 C43 C42 120.7(6) . .
C44 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
C43 C44 C45 120.1(6) . .
C43 C44 H44 119.9 . .
C45 C44 H44 119.9 . .
C44 C45 C46 119.4(6) . .
C44 C45 H45 120.3 . .
C46 C45 H45 120.3 . .
C41 C46 C45 121.1(6) . .
C41 C46 H46 119.4 . .
C45 C46 H46 119.4 . .
C56 C51 C52 118.5(6) . .
C56 C51 P1 123.1(5) . .
C52 C51 P1 118.4(5) . .
C53 C52 C51 120.6(7) . .
C53 C52 H52 119.7 . .
C51 C52 H52 119.7 . .
C54 C53 C52 120.5(7) . .
C54 C53 H53 119.8 . .
C52 C53 H53 119.8 . .
C53 C54 C55 121.0(7) . .
C53 C54 H54 119.5 . .
C55 C54 H54 119.5 . .
C54 C55 C56 118.6(8) . .
C54 C55 H55 120.7 . .
C56 C55 H55 120.7 . .
C51 C56 C55 120.8(7) . .
C51 C56 H56 119.6 . .
C55 C56 H56 119.6 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C17 2.027(5) .
Pt1 N7 2.033(4) .
Pt1 N1 2.076(4) .
Pt1 P1 2.2411(13) .
P1 C51 1.819(6) .
P1 C31 1.820(6) .
P1 C41 1.825(5) .
N1 N2 1.348(6) .
N1 C5 1.358(6) .
N2 C3 1.340(7) .
C3 N4 1.368(8) .
C3 C18 1.520(8) .
N4 C5 1.336(7) .
C5 C6 1.454(8) .
C6 N7 1.347(7) .
C6 C8 1.385(8) .
N7 C11 1.337(7) .
C8 C9 1.378(9) .
C8 H8 0.9400 .
C9 C10 1.376(9) .
C9 H9 0.9400 .
C10 C11 1.404(8) .
C10 H10 0.9400 .
C11 C12 1.472(8) .
C12 C13 1.387(8) .
C12 C17 1.422(8) .
C13 F13 1.350(7) .
C13 C14 1.383(8) .
C14 C15 1.363(9) .
C14 H14 0.9400 .
C15 F15 1.362(7) .
C15 C16 1.387(8) .
C16 C17 1.400(8) .
C16 H16 0.9400 .
C18 C19 1.511(10) .
C18 C21 1.516(9) .
C18 C20 1.539(10) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C31 C36 1.398(8) .
C31 C32 1.399(9) .
C32 C33 1.383(9) .
C32 H32 0.9400 .
C33 C34 1.369(12) .
C33 H33 0.9400 .
C34 C35 1.380(12) .
C34 H34 0.9400 .
C35 C36 1.394(9) .
C35 H35 0.9400 .
C36 H36 0.9400 .
C41 C46 1.384(8) .
C41 C42 1.392(8) .
C42 C43 1.380(8) .
C42 H42 0.9400 .
C43 C44 1.369(10) .
C43 H43 0.9400 .
C44 C45 1.373(9) .
C44 H44 0.9400 .
C45 C46 1.390(8) .
C45 H45 0.9400 .
C46 H46 0.9400 .
C51 C56 1.378(9) .
C51 C52 1.394(8) .
C52 C53 1.372(9) .
C52 H52 0.9400 .
C53 C54 1.347(12) .
C53 H53 0.9400 .
C54 C55 1.388(12) .
C54 H54 0.9400 .
C55 C56 1.394(10) .
C55 H55 0.9400 .
C56 H56 0.9400 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
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
C17 Pt1 P1 C51 177.1(3) . . . .
N7 Pt1 P1 C51 124.8(18) . . . .
N1 Pt1 P1 C51 -4.4(3) . . . .
C17 Pt1 P1 C31 59.9(2) . . . .
N7 Pt1 P1 C31 7.5(18) . . . .
N1 Pt1 P1 C31 -121.6(2) . . . .
C17 Pt1 P1 C41 -62.6(2) . . . .
N7 Pt1 P1 C41 -115.0(18) . . . .
N1 Pt1 P1 C41 115.9(2) . . . .
C17 Pt1 N1 N2 170.9(6) . . . .
N7 Pt1 N1 N2 178.3(6) . . . .
P1 Pt1 N1 N2 -4.8(6) . . . .
C17 Pt1 N1 C5 -8.5(8) . . . .
N7 Pt1 N1 C5 -1.0(4) . . . .
P1 Pt1 N1 C5 175.8(3) . . . .
C5 N1 N2 C3 -0.2(6) . . . .
Pt1 N1 N2 C3 -179.6(4) . . . .
N1 N2 C3 N4 0.5(6) . . . .
N1 N2 C3 C18 -179.6(5) . . . .
N2 C3 N4 C5 -0.5(6) . . . .
C18 C3 N4 C5 179.5(5) . . . .
C3 N4 C5 N1 0.3(6) . . . .
C3 N4 C5 C6 179.7(6) . . . .
N2 N1 C5 N4 -0.1(6) . . . .
Pt1 N1 C5 N4 179.5(4) . . . .
N2 N1 C5 C6 -179.6(5) . . . .
Pt1 N1 C5 C6 0.0(6) . . . .
N4 C5 C6 N7 -177.7(5) . . . .
N1 C5 C6 N7 1.6(7) . . . .
N4 C5 C6 C8 2.9(10) . . . .
N1 C5 C6 C8 -177.8(6) . . . .
C8 C6 N7 C11 -0.7(8) . . . .
C5 C6 N7 C11 179.9(5) . . . .
C8 C6 N7 Pt1 176.9(4) . . . .
C5 C6 N7 Pt1 -2.6(6) . . . .
C17 Pt1 N7 C11 -2.9(4) . . . .
N1 Pt1 N7 C11 179.8(4) . . . .
P1 Pt1 N7 C11 50(2) . . . .
C17 Pt1 N7 C6 179.4(4) . . . .
N1 Pt1 N7 C6 2.1(4) . . . .
P1 Pt1 N7 C6 -127.8(17) . . . .
N7 C6 C8 C9 0.0(9) . . . .
C5 C6 C8 C9 179.4(6) . . . .
C6 C8 C9 C10 1.0(10) . . . .
C8 C9 C10 C11 -1.5(10) . . . .
C6 N7 C11 C10 0.2(8) . . . .
Pt1 N7 C11 C10 -177.3(4) . . . .
C6 N7 C11 C12 -179.4(5) . . . .
Pt1 N7 C11 C12 3.1(6) . . . .
C9 C10 C11 N7 0.8(9) . . . .
C9 C10 C11 C12 -179.6(6) . . . .
N7 C11 C12 C13 177.5(5) . . . .
C10 C11 C12 C13 -2.0(10) . . . .
N7 C11 C12 C17 -1.2(7) . . . .
C10 C11 C12 C17 179.2(6) . . . .
C17 C12 C13 F13 -179.7(5) . . . .
C11 C12 C13 F13 1.6(9) . . . .
C17 C12 C13 C14 0.4(9) . . . .
C11 C12 C13 C14 -178.3(6) . . . .
F13 C13 C14 C15 -179.3(5) . . . .
C12 C13 C14 C15 0.6(9) . . . .
C13 C14 C15 F15 178.5(5) . . . .
C13 C14 C15 C16 -1.1(9) . . . .
F15 C15 C16 C17 -179.1(5) . . . .
C14 C15 C16 C17 0.6(9) . . . .
C15 C16 C17 C12 0.5(8) . . . .
C15 C16 C17 Pt1 179.3(4) . . . .
C13 C12 C17 C16 -1.0(8) . . . .
C11 C12 C17 C16 177.9(5) . . . .
C13 C12 C17 Pt1 -179.9(4) . . . .
C11 C12 C17 Pt1 -1.1(6) . . . .
N7 Pt1 C17 C16 -176.8(6) . . . .
N1 Pt1 C17 C16 -169.4(5) . . . .
P1 Pt1 C17 C16 6.4(5) . . . .
N7 Pt1 C17 C12 2.0(4) . . . .
N1 Pt1 C17 C12 9.4(8) . . . .
P1 Pt1 C17 C12 -174.8(4) . . . .
N2 C3 C18 C19 -125.4(7) . . . .
N4 C3 C18 C19 54.5(8) . . . .
N2 C3 C18 C21 113.7(7) . . . .
N4 C3 C18 C21 -66.3(8) . . . .
N2 C3 C18 C20 -4.9(9) . . . .
N4 C3 C18 C20 175.1(6) . . . .
C51 P1 C31 C36 50.2(5) . . . .
C41 P1 C31 C36 -59.7(5) . . . .
Pt1 P1 C31 C36 177.1(4) . . . .
C51 P1 C31 C32 -126.4(5) . . . .
C41 P1 C31 C32 123.7(5) . . . .
Pt1 P1 C31 C32 0.5(5) . . . .
C36 C31 C32 C33 1.9(9) . . . .
P1 C31 C32 C33 178.6(5) . . . .
C31 C32 C33 C34 0.2(10) . . . .
C32 C33 C34 C35 -0.7(11) . . . .
C33 C34 C35 C36 -0.9(11) . . . .
C34 C35 C36 C31 3.0(10) . . . .
C32 C31 C36 C35 -3.5(9) . . . .
P1 C31 C36 C35 179.8(5) . . . .
C51 P1 C41 C46 97.3(5) . . . .
C31 P1 C41 C46 -155.1(4) . . . .
Pt1 P1 C41 C46 -30.8(5) . . . .
C51 P1 C41 C42 -82.8(5) . . . .
C31 P1 C41 C42 24.8(6) . . . .
Pt1 P1 C41 C42 149.1(4) . . . .
C46 C41 C42 C43 0.7(9) . . . .
P1 C41 C42 C43 -179.1(5) . . . .
C41 C42 C43 C44 -0.3(10) . . . .
C42 C43 C44 C45 -1.1(11) . . . .
C43 C44 C45 C46 2.0(10) . . . .
C42 C41 C46 C45 0.3(9) . . . .
P1 C41 C46 C45 -179.9(5) . . . .
C44 C45 C46 C41 -1.7(10) . . . .
C31 P1 C51 C56 -117.9(6) . . . .
C41 P1 C51 C56 -4.4(6) . . . .
Pt1 P1 C51 C56 119.0(6) . . . .
C31 P1 C51 C52 60.9(6) . . . .
C41 P1 C51 C52 174.4(5) . . . .
Pt1 P1 C51 C52 -62.2(5) . . . .
C56 C51 C52 C53 1.9(11) . . . .
P1 C51 C52 C53 -176.9(6) . . . .
C51 C52 C53 C54 -2.2(13) . . . .
C52 C53 C54 C55 1.3(14) . . . .
C53 C54 C55 C56 -0.1(15) . . . .
C52 C51 C56 C55 -0.7(12) . . . .
P1 C51 C56 C55 178.1(7) . . . .
C54 C55 C56 C51 -0.2(15) . . . .
