#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003636.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_7003636
loop_
_publ_author_name
'Zhang, Jun-Feng'
'Fu, Wen-Fu'
'Gan, Xin'
'Chen, Jian-Hua'
_publ_section_title
;
 Synthesis, structures and photophysical properties of luminescent
 copper(i) and platinum(ii) complexes with a flexible
 naphthyridine-phosphine ligand
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              3093
_journal_page_last               3100
_journal_paper_doi               10.1039/b717777a
_journal_year                    2008
_chemical_formula_sum            'C46 H44 Cl6 N6 P2 Pt'
_chemical_formula_weight         1150.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 113.498(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.299(13)
_cell_length_b                   16.892(14)
_cell_length_c                   19.458(16)
_cell_measurement_reflns_used    7477
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.289
_cell_measurement_theta_min      2.458
_cell_volume                     4913(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0773
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            30802
_diffrn_reflns_theta_full        28.80
_diffrn_reflns_theta_max         28.80
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    3.286
_exptl_absorpt_correction_T_max  0.3926
_exptl_absorpt_correction_T_min  0.3532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.862
_refine_diff_density_min         -1.476
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         11678
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0424
_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)+(0.0423P)²+4.5310P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                7363
_reflns_number_total             11678
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717777a.txt
_cod_data_source_block           060926a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7003636
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pt1 Pt 1.490170(14) 0.507093(11) 0.258427(10) 0.03127(7) Uani 1 1 d . . .
Cl1 Cl 1.27147(13) 0.48690(12) 0.39169(9) 0.0714(5) Uani 1 1 d . . .
Cl2 Cl 1.36953(11) 0.61192(10) 0.90699(9) 0.0576(4) Uani 1 1 d . . .
Cl3 Cl 1.0199(2) 0.4554(2) 0.3652(2) 0.1417(11) Uani 1 1 d DU . .
Cl4 Cl 1.0866(2) 0.4096(3) 0.5198(2) 0.1735(15) Uani 1 1 d DU . .
Cl5 Cl 1.1211(4) 0.4875(4) 0.8416(4) 0.271(3) Uani 1 1 d DU . .
Cl6 Cl 1.1322(3) 0.6163(3) 0.9414(3) 0.236(2) Uani 1 1 d DU . .
N1 N 1.5975(3) 0.5806(3) 0.3292(2) 0.0372(11) Uani 1 1 d . . .
N2 N 1.6171(3) 0.6000(3) 0.2190(2) 0.0405(11) Uani 1 1 d . . .
N3 N 1.5991(3) 0.5476(3) 0.4467(2) 0.0462(13) Uani 1 1 d . . .
H3 H 1.6159 0.5633 0.4924 0.055 Uiso 1 1 calc R . .
N4 N 1.4237(3) 0.6038(2) 0.1885(2) 0.0353(11) Uani 1 1 d . . .
N5 N 1.4197(3) 0.6507(3) 0.2991(2) 0.0386(11) Uani 1 1 d . . .
N6 N 1.4052(3) 0.5522(3) 0.0715(2) 0.0433(12) Uani 1 1 d . . .
H6 H 1.3965 0.5650 0.0264 0.052 Uiso 1 1 calc R . .
P1 P 1.54893(10) 0.41909(8) 0.34885(8) 0.0347(3) Uani 1 1 d . . .
P2 P 1.39279(10) 0.43577(8) 0.16757(7) 0.0332(3) Uani 1 1 d . . .
C1 C 1.6406(4) 0.6220(3) 0.2909(3) 0.0386(13) Uani 1 1 d . . .
C2 C 1.6583(4) 0.6354(4) 0.1807(3) 0.0505(16) Uani 1 1 d . . .
C3 C 1.7235(5) 0.6940(4) 0.2116(4) 0.063(2) Uani 1 1 d . . .
H3A H 1.7520 0.7162 0.1833 0.076 Uiso 1 1 calc R . .
C4 C 1.7446(4) 0.7178(4) 0.2831(4) 0.0589(19) Uani 1 1 d . . .
H4 H 1.7862 0.7579 0.3040 0.071 Uiso 1 1 calc R . .
C5 C 1.7032(4) 0.6816(4) 0.3249(3) 0.0467(15) Uani 1 1 d . . .
C6 C 1.7221(4) 0.6995(4) 0.4010(4) 0.0559(18) Uani 1 1 d . . .
H6A H 1.7595 0.7417 0.4243 0.067 Uiso 1 1 calc R . .
C7 C 1.6865(4) 0.6561(4) 0.4391(3) 0.0521(17) Uani 1 1 d . . .
H7 H 1.7012 0.6667 0.4895 0.063 Uiso 1 1 calc R . .
C8 C 1.6255(4) 0.5928(3) 0.4029(3) 0.0397(14) Uani 1 1 d . . .
C9 C 1.6300(5) 0.6107(4) 0.0993(3) 0.0616(19) Uani 1 1 d . . .
H9A H 1.6357 0.5543 0.0967 0.092 Uiso 1 1 calc R . .
H9B H 1.6676 0.6363 0.0786 0.092 Uiso 1 1 calc R . .
H9C H 1.5689 0.6258 0.0713 0.092 Uiso 1 1 calc R . .
C10 C 1.5463(4) 0.4763(3) 0.4281(3) 0.0446(15) Uani 1 1 d . . .
H10A H 1.4847 0.4903 0.4171 0.054 Uiso 1 1 calc R . .
H10B H 1.5667 0.4423 0.4719 0.054 Uiso 1 1 calc R . .
C11 C 1.6645(4) 0.3921(3) 0.3714(3) 0.0407(14) Uani 1 1 d . . .
C12 C 1.7012(4) 0.4077(4) 0.3197(4) 0.0551(17) Uani 1 1 d . . .
H12 H 1.6664 0.4301 0.2736 0.066 Uiso 1 1 calc R . .
C13 C 1.7899(5) 0.3896(5) 0.3375(5) 0.076(2) Uani 1 1 d . . .
H13 H 1.8151 0.4005 0.3033 0.092 Uiso 1 1 calc R . .
C14 C 1.8409(5) 0.3559(5) 0.4045(5) 0.083(3) Uani 1 1 d . . .
H14 H 1.9005 0.3439 0.4157 0.100 Uiso 1 1 calc R . .
C15 C 1.8056(5) 0.3398(5) 0.4549(4) 0.079(2) Uani 1 1 d . . .
H15 H 1.8409 0.3159 0.5001 0.095 Uiso 1 1 calc R . .
C16 C 1.7168(5) 0.3584(4) 0.4401(4) 0.0630(19) Uani 1 1 d . . .
H16 H 1.6931 0.3484 0.4755 0.076 Uiso 1 1 calc R . .
C17 C 1.4895(4) 0.3311(3) 0.3559(3) 0.0384(13) Uani 1 1 d . . .
C18 C 1.4073(4) 0.3404(4) 0.3607(3) 0.0515(16) Uani 1 1 d . . .
H18 H 1.3817 0.3904 0.3556 0.062 Uiso 1 1 calc R . .
C19 C 1.3637(5) 0.2755(5) 0.3731(4) 0.064(2) Uani 1 1 d . . .
H19 H 1.3099 0.2821 0.3784 0.076 Uiso 1 1 calc R . .
C20 C 1.3992(6) 0.2017(5) 0.3777(4) 0.081(3) Uani 1 1 d . . .
H20 H 1.3693 0.1582 0.3858 0.097 Uiso 1 1 calc R . .
C21 C 1.4795(6) 0.1910(4) 0.3704(4) 0.072(2) Uani 1 1 d . . .
H21 H 1.5027 0.1404 0.3725 0.087 Uiso 1 1 calc R . .
C22 C 1.5251(4) 0.2560(4) 0.3599(3) 0.0532(17) Uani 1 1 d . . .
H22 H 1.5795 0.2491 0.3555 0.064 Uiso 1 1 calc R . .
C23 C 1.4108(4) 0.6669(3) 0.2285(3) 0.0370(13) Uani 1 1 d . . .
C24 C 1.4091(4) 0.7087(4) 0.3405(3) 0.0472(15) Uani 1 1 d . . .
C25 C 1.3884(5) 0.7859(4) 0.3125(4) 0.0584(18) Uani 1 1 d . . .
H25 H 1.3820 0.8257 0.3430 0.070 Uiso 1 1 calc R . .
C26 C 1.3776(5) 0.8032(4) 0.2408(4) 0.0581(18) Uani 1 1 d . . .
H26 H 1.3631 0.8543 0.2220 0.070 Uiso 1 1 calc R . .
C27 C 1.3886(4) 0.7427(3) 0.1964(3) 0.0446(15) Uani 1 1 d . . .
C28 C 1.3790(4) 0.7517(4) 0.1205(4) 0.0570(18) Uani 1 1 d . . .
H28 H 1.3676 0.8014 0.0982 0.068 Uiso 1 1 calc R . .
C29 C 1.3861(4) 0.6898(4) 0.0817(3) 0.0501(16) Uani 1 1 d . . .
H29 H 1.3779 0.6961 0.0319 0.060 Uiso 1 1 calc R . .
C30 C 1.4065(4) 0.6129(3) 0.1157(3) 0.0374(13) Uani 1 1 d . . .
C31 C 1.4190(5) 0.6883(4) 0.4179(4) 0.066(2) Uani 1 1 d . . .
H31A H 1.3808 0.6443 0.4160 0.099 Uiso 1 1 calc R . .
H31B H 1.4025 0.7331 0.4400 0.099 Uiso 1 1 calc R . .
H31C H 1.4801 0.6743 0.4476 0.099 Uiso 1 1 calc R . .
C32 C 1.4159(4) 0.4684(3) 0.0874(3) 0.0401(14) Uani 1 1 d . . .
H32A H 1.4769 0.4538 0.0962 0.048 Uiso 1 1 calc R . .
H32B H 1.3765 0.4400 0.0433 0.048 Uiso 1 1 calc R . .
C33 C 1.4033(4) 0.3293(3) 0.1661(3) 0.0353(13) Uani 1 1 d . . .
C34 C 1.4785(4) 0.2958(4) 0.1624(4) 0.0524(16) Uani 1 1 d . . .
H34 H 1.5235 0.3279 0.1597 0.063 Uiso 1 1 calc R . .
C35 C 1.4872(5) 0.2138(4) 0.1625(4) 0.069(2) Uani 1 1 d . . .
H35 H 1.5374 0.1914 0.1588 0.083 Uiso 1 1 calc R . .
C36 C 1.4225(6) 0.1660(4) 0.1681(4) 0.071(2) Uani 1 1 d . . .
H36 H 1.4290 0.1113 0.1684 0.085 Uiso 1 1 calc R . .
C37 C 1.3483(5) 0.1984(4) 0.1732(4) 0.068(2) Uani 1 1 d . . .
H37 H 1.3049 0.1657 0.1779 0.082 Uiso 1 1 calc R . .
C38 C 1.3374(4) 0.2800(4) 0.1715(3) 0.0514(16) Uani 1 1 d . . .
H38 H 1.2862 0.3018 0.1739 0.062 Uiso 1 1 calc R . .
C39 C 1.2765(4) 0.4563(3) 0.1459(3) 0.0359(13) Uani 1 1 d . . .
C40 C 1.2517(4) 0.4871(3) 0.2001(3) 0.0433(14) Uani 1 1 d . . .
H40 H 1.2952 0.4997 0.2471 0.052 Uiso 1 1 calc R . .
C41 C 1.1616(4) 0.4998(4) 0.1852(4) 0.0544(16) Uani 1 1 d . . .
H41 H 1.1454 0.5202 0.2224 0.065 Uiso 1 1 calc R . .
C42 C 1.0978(5) 0.4826(4) 0.1171(4) 0.0587(19) Uani 1 1 d . . .
H42 H 1.0380 0.4915 0.1075 0.070 Uiso 1 1 calc R . .
C43 C 1.1210(5) 0.4521(4) 0.0616(4) 0.0634(19) Uani 1 1 d . . .
H43 H 1.0768 0.4409 0.0147 0.076 Uiso 1 1 calc R . .
C44 C 1.2097(4) 0.4382(4) 0.0756(3) 0.0534(17) Uani 1 1 d . . .
H44 H 1.2252 0.4168 0.0384 0.064 Uiso 1 1 calc R . .
C45 C 1.0965(8) 0.4751(7) 0.4546(6) 0.136(4) Uani 1 1 d DU . .
H45A H 1.0877 0.5288 0.4681 0.163 Uiso 1 1 calc R . .
H45B H 1.1564 0.4715 0.4557 0.163 Uiso 1 1 calc R . .
C46 C 1.1229(10) 0.5965(7) 0.8481(7) 0.192(6) Uani 1 1 d DU . .
H46A H 1.1736 0.6181 0.8403 0.230 Uiso 1 1 calc R . .
H46B H 1.0683 0.6190 0.8114 0.230 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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N4 Pt1 N1 92.49(18) . . ?
N4 Pt1 P2 83.48(14) . . ?
N1 Pt1 P2 167.42(13) . . ?
N4 Pt1 P1 167.32(12) . . ?
N1 Pt1 P1 83.92(14) . . ?
P2 Pt1 P1 102.47(8) . . ?
C8 N1 C1 117.7(5) . . ?
C8 N1 Pt1 128.5(4) . . ?
C1 N1 Pt1 113.7(3) . . ?
C2 N2 C1 117.5(5) . . ?
C8 N3 C10 129.0(4) . . ?
C8 N3 H3 115.5 . . ?
C10 N3 H3 115.5 . . ?
C30 N4 C23 119.5(5) . . ?
C30 N4 Pt1 127.2(4) . . ?
C23 N4 Pt1 112.6(3) . . ?
C24 N5 C23 118.8(5) . . ?
C30 N6 C32 130.3(4) . . ?
C30 N6 H6 114.8 . . ?
C32 N6 H6 114.8 . . ?
C17 P1 C11 108.1(3) . . ?
C17 P1 C10 100.2(3) . . ?
C11 P1 C10 107.4(3) . . ?
C17 P1 Pt1 122.57(19) . . ?
C11 P1 Pt1 116.1(2) . . ?
C10 P1 Pt1 99.6(2) . . ?
C39 P2 C33 106.5(3) . . ?
C39 P2 C32 107.3(3) . . ?
C33 P2 C32 103.5(3) . . ?
C39 P2 Pt1 115.84(19) . . ?
C33 P2 Pt1 120.93(18) . . ?
C32 P2 Pt1 101.1(2) . . ?
N2 C1 C5 122.8(5) . . ?
N2 C1 N1 114.9(5) . . ?
C5 C1 N1 122.3(5) . . ?
N2 C2 C3 122.9(6) . . ?
N2 C2 C9 116.8(5) . . ?
C3 C2 C9 120.3(6) . . ?
C4 C3 C2 119.3(6) . . ?
C4 C3 H3A 120.3 . . ?
C2 C3 H3A 120.3 . . ?
C3 C4 C5 119.1(6) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C1 118.3(6) . . ?
C4 C5 C6 124.3(6) . . ?
C1 C5 C6 117.4(6) . . ?
C7 C6 C5 120.2(6) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C6 C7 C8 120.5(5) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
N1 C8 N3 122.4(5) . . ?
N1 C8 C7 120.9(5) . . ?
N3 C8 C7 116.6(5) . . ?
C2 C9 H9A 109.5 . . ?
C2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 P1 116.2(4) . . ?
N3 C10 H10A 108.2 . . ?
P1 C10 H10A 108.2 . . ?
N3 C10 H10B 108.2 . . ?
P1 C10 H10B 108.2 . . ?
H10A C10 H10B 107.4 . . ?
C12 C11 C16 120.0(6) . . ?
C12 C11 P1 119.0(5) . . ?
C16 C11 P1 121.0(5) . . ?
C13 C12 C11 119.2(7) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C12 120.8(8) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C15 C14 C13 120.4(8) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.9(8) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C11 C16 C15 118.6(7) . . ?
C11 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C22 C17 C18 119.6(6) . . ?
C22 C17 P1 122.2(5) . . ?
C18 C17 P1 118.2(4) . . ?
C19 C18 C17 120.0(6) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.2(7) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.5(7) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C22 119.8(7) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 119.7(7) . . ?
C17 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
N5 C23 N4 115.9(5) . . ?
N5 C23 C27 122.8(5) . . ?
N4 C23 C27 121.3(5) . . ?
N5 C24 C25 121.5(6) . . ?
N5 C24 C31 117.2(6) . . ?
C25 C24 C31 121.3(6) . . ?
C26 C25 C24 120.6(6) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 118.7(6) . . ?
C25 C26 H26 120.6 . . ?
C27 C26 H26 120.6 . . ?
C26 C27 C23 117.6(6) . . ?
C26 C27 C28 125.1(6) . . ?
C23 C27 C28 117.2(5) . . ?
C29 C28 C27 120.6(6) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.6(6) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
N6 C30 N4 122.4(5) . . ?
N6 C30 C29 117.3(5) . . ?
N4 C30 C29 120.3(5) . . ?
C24 C31 H31A 109.5 . . ?
C24 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C24 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N6 C32 P2 115.4(4) . . ?
N6 C32 H32A 108.4 . . ?
P2 C32 H32A 108.4 . . ?
N6 C32 H32B 108.4 . . ?
P2 C32 H32B 108.4 . . ?
H32A C32 H32B 107.5 . . ?
C34 C33 C38 119.1(5) . . ?
C34 C33 P2 120.0(4) . . ?
C38 C33 P2 120.8(5) . . ?
C33 C34 C35 120.0(6) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.5(7) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C37 C36 C35 120.2(7) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C38 120.3(7) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C33 120.0(6) . . ?
C37 C38 H38 120.0 . . ?
C33 C38 H38 120.0 . . ?
C40 C39 C44 118.8(5) . . ?
C40 C39 P2 119.8(4) . . ?
C44 C39 P2 121.4(5) . . ?
C39 C40 C41 120.4(6) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 120.4(7) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 120.4(7) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C42 C43 C44 120.1(6) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C39 120.0(6) . . ?
C43 C44 H44 120.0 . . ?
C39 C44 H44 120.0 . . ?
Cl3 C45 Cl4 111.9(6) . . ?
Cl3 C45 H45A 109.2 . . ?
Cl4 C45 H45A 109.2 . . ?
Cl3 C45 H45B 109.2 . . ?
Cl4 C45 H45B 109.2 . . ?
H45A C45 H45B 107.9 . . ?
Cl6 C46 Cl5 104.4(7) . . ?
Cl6 C46 H46A 110.9 . . ?
Cl5 C46 H46A 110.9 . . ?
Cl6 C46 H46B 110.9 . . ?
Cl5 C46 H46B 110.9 . . ?
H46A C46 H46B 108.9 . . ?
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
Pt1 N4 2.126(4) . ?
Pt1 N1 2.139(4) . ?
Pt1 P2 2.2042(17) . ?
Pt1 P1 2.2089(18) . ?
Cl3 C45 1.721(10) . ?
Cl4 C45 1.739(10) . ?
Cl5 C46 1.844(12) . ?
Cl6 C46 1.791(10) . ?
N1 C8 1.337(7) . ?
N1 C1 1.399(7) . ?
N2 C2 1.328(7) . ?
N2 C1 1.346(7) . ?
N3 C8 1.337(7) . ?
N3 C10 1.440(7) . ?
N3 H3 0.8600 . ?
N4 C30 1.339(6) . ?
N4 C23 1.386(6) . ?
N5 C24 1.322(7) . ?
N5 C23 1.350(7) . ?
N6 C30 1.333(7) . ?
N6 C32 1.444(7) . ?
N6 H6 0.8600 . ?
P1 C17 1.809(6) . ?
P1 C11 1.814(6) . ?
P1 C10 1.835(6) . ?
P2 C39 1.804(6) . ?
P2 C33 1.808(6) . ?
P2 C32 1.831(5) . ?
C1 C5 1.398(8) . ?
C2 C3 1.400(8) . ?
C2 C9 1.520(8) . ?
C3 C4 1.356(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.388(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.420(8) . ?
C6 C7 1.328(8) . ?
C6 H6A 0.9300 . ?
C7 C8 1.438(8) . ?
C7 H7 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.384(8) . ?
C11 C16 1.390(8) . ?
C12 C13 1.380(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.360(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.347(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.394(10) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C22 1.384(8) . ?
C17 C18 1.389(8) . ?
C18 C19 1.379(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.362(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C27 1.408(7) . ?
C24 C25 1.402(8) . ?
C24 C31 1.490(8) . ?
C25 C26 1.365(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.396(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.430(8) . ?
C28 C29 1.321(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.435(7) . ?
C29 H29 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.380(8) . ?
C33 C38 1.395(8) . ?
C34 C35 1.391(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.367(10) . ?
C35 H35 0.9300 . ?
C36 C37 1.367(10) . ?
C36 H36 0.9300 . ?
C37 C38 1.388(9) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.374(8) . ?
C39 C44 1.401(7) . ?
C40 C41 1.395(8) . ?
C40 H40 0.9300 . ?
C41 C42 1.350(9) . ?
C41 H41 0.9300 . ?
C42 C43 1.377(10) . ?
C42 H42 0.9300 . ?
C43 C44 1.381(9) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 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
_geom_torsion_publ_flag
N4 Pt1 N1 C8 121.6(5) . . . . ?
P2 Pt1 N1 C8 -167.5(4) . . . . ?
P1 Pt1 N1 C8 -46.2(5) . . . . ?
N4 Pt1 N1 C1 -56.3(4) . . . . ?
P2 Pt1 N1 C1 14.6(8) . . . . ?
P1 Pt1 N1 C1 135.9(4) . . . . ?
N1 Pt1 N4 C30 117.0(5) . . . . ?
P2 Pt1 N4 C30 -51.1(5) . . . . ?
P1 Pt1 N4 C30 -169.9(4) . . . . ?
N1 Pt1 N4 C23 -52.9(4) . . . . ?
P2 Pt1 N4 C23 139.1(4) . . . . ?
P1 Pt1 N4 C23 20.2(8) . . . . ?
N4 Pt1 P1 C17 91.1(6) . . . . ?
N1 Pt1 P1 C17 165.2(3) . . . . ?
P2 Pt1 P1 C17 -25.8(2) . . . . ?
N4 Pt1 P1 C11 -132.5(6) . . . . ?
N1 Pt1 P1 C11 -58.5(2) . . . . ?
P2 Pt1 P1 C11 110.6(2) . . . . ?
N4 Pt1 P1 C10 -17.6(6) . . . . ?
N1 Pt1 P1 C10 56.4(2) . . . . ?
P2 Pt1 P1 C10 -134.6(2) . . . . ?
N4 Pt1 P2 C39 -58.5(2) . . . . ?
N1 Pt1 P2 C39 -130.4(6) . . . . ?
P1 Pt1 P2 C39 110.1(2) . . . . ?
N4 Pt1 P2 C33 170.3(3) . . . . ?
N1 Pt1 P2 C33 98.5(6) . . . . ?
P1 Pt1 P2 C33 -21.0(2) . . . . ?
N4 Pt1 P2 C32 57.1(2) . . . . ?
N1 Pt1 P2 C32 -14.8(6) . . . . ?
P1 Pt1 P2 C32 -134.3(2) . . . . ?
C2 N2 C1 C5 2.4(9) . . . . ?
C2 N2 C1 N1 -177.7(5) . . . . ?
C8 N1 C1 N2 172.2(5) . . . . ?
Pt1 N1 C1 N2 -9.7(6) . . . . ?
C8 N1 C1 C5 -7.9(8) . . . . ?
Pt1 N1 C1 C5 170.3(4) . . . . ?
C1 N2 C2 C3 -0.4(9) . . . . ?
C1 N2 C2 C9 -179.2(5) . . . . ?
N2 C2 C3 C4 -1.9(11) . . . . ?
C9 C2 C3 C4 176.8(7) . . . . ?
C2 C3 C4 C5 2.2(11) . . . . ?
C3 C4 C5 C1 -0.4(10) . . . . ?
C3 C4 C5 C6 177.6(7) . . . . ?
N2 C1 C5 C4 -2.0(9) . . . . ?
N1 C1 C5 C4 178.1(6) . . . . ?
N2 C1 C5 C6 179.9(6) . . . . ?
N1 C1 C5 C6 -0.1(9) . . . . ?
C4 C5 C6 C7 -172.7(7) . . . . ?
C1 C5 C6 C7 5.4(10) . . . . ?
C5 C6 C7 C8 -2.8(10) . . . . ?
C1 N1 C8 N3 -169.2(5) . . . . ?
Pt1 N1 C8 N3 13.0(8) . . . . ?
C1 N1 C8 C7 10.6(8) . . . . ?
Pt1 N1 C8 C7 -167.2(4) . . . . ?
C10 N3 C8 N1 6.6(10) . . . . ?
C10 N3 C8 C7 -173.1(6) . . . . ?
C6 C7 C8 N1 -5.6(10) . . . . ?
C6 C7 C8 N3 174.2(6) . . . . ?
C8 N3 C10 P1 24.8(8) . . . . ?
C17 P1 C10 N3 171.8(4) . . . . ?
C11 P1 C10 N3 59.0(5) . . . . ?
Pt1 P1 C10 N3 -62.4(5) . . . . ?
C17 P1 C11 C12 123.5(5) . . . . ?
C10 P1 C11 C12 -129.1(5) . . . . ?
Pt1 P1 C11 C12 -18.7(6) . . . . ?
C17 P1 C11 C16 -58.3(6) . . . . ?
C10 P1 C11 C16 49.1(6) . . . . ?
Pt1 P1 C11 C16 159.5(5) . . . . ?
C16 C11 C12 C13 -0.2(10) . . . . ?
P1 C11 C12 C13 178.0(5) . . . . ?
C11 C12 C13 C14 0.8(11) . . . . ?
C12 C13 C14 C15 -0.1(13) . . . . ?
C13 C14 C15 C16 -1.1(13) . . . . ?
C12 C11 C16 C15 -1.0(10) . . . . ?
P1 C11 C16 C15 -179.1(5) . . . . ?
C14 C15 C16 C11 1.7(12) . . . . ?
C11 P1 C17 C22 -13.9(6) . . . . ?
C10 P1 C17 C22 -126.1(5) . . . . ?
Pt1 P1 C17 C22 125.4(5) . . . . ?
C11 P1 C17 C18 163.2(5) . . . . ?
C10 P1 C17 C18 51.0(5) . . . . ?
Pt1 P1 C17 C18 -57.5(5) . . . . ?
C22 C17 C18 C19 3.1(9) . . . . ?
P1 C17 C18 C19 -174.0(5) . . . . ?
C17 C18 C19 C20 -2.6(11) . . . . ?
C18 C19 C20 C21 0.3(12) . . . . ?
C19 C20 C21 C22 1.4(12) . . . . ?
C18 C17 C22 C21 -1.5(9) . . . . ?
P1 C17 C22 C21 175.6(5) . . . . ?
C20 C21 C22 C17 -0.8(11) . . . . ?
C24 N5 C23 N4 179.3(5) . . . . ?
C24 N5 C23 C27 -1.5(9) . . . . ?
C30 N4 C23 N5 172.7(5) . . . . ?
Pt1 N4 C23 N5 -16.6(6) . . . . ?
C30 N4 C23 C27 -6.5(8) . . . . ?
Pt1 N4 C23 C27 164.2(4) . . . . ?
C23 N5 C24 C25 0.4(9) . . . . ?
C23 N5 C24 C31 179.7(6) . . . . ?
N5 C24 C25 C26 0.7(10) . . . . ?
C31 C24 C25 C26 -178.5(7) . . . . ?
C24 C25 C26 C27 -0.8(11) . . . . ?
C25 C26 C27 C23 -0.2(10) . . . . ?
C25 C26 C27 C28 179.6(7) . . . . ?
N5 C23 C27 C26 1.4(9) . . . . ?
N4 C23 C27 C26 -179.4(6) . . . . ?
N5 C23 C27 C28 -178.5(6) . . . . ?
N4 C23 C27 C28 0.7(9) . . . . ?
C26 C27 C28 C29 -176.4(7) . . . . ?
C23 C27 C28 C29 3.5(10) . . . . ?
C27 C28 C29 C30 -2.0(10) . . . . ?
C32 N6 C30 N4 3.5(10) . . . . ?
C32 N6 C30 C29 -174.9(6) . . . . ?
C23 N4 C30 N6 -170.2(5) . . . . ?
Pt1 N4 C30 N6 20.5(8) . . . . ?
C23 N4 C30 C29 8.1(8) . . . . ?
Pt1 N4 C30 C29 -161.1(4) . . . . ?
C28 C29 C30 N6 174.4(6) . . . . ?
C28 C29 C30 N4 -3.9(10) . . . . ?
C30 N6 C32 P2 21.9(8) . . . . ?
C39 P2 C32 N6 63.0(5) . . . . ?
C33 P2 C32 N6 175.4(4) . . . . ?
Pt1 P2 C32 N6 -58.8(4) . . . . ?
C39 P2 C33 C34 164.1(5) . . . . ?
C32 P2 C33 C34 51.1(5) . . . . ?
Pt1 P2 C33 C34 -60.9(5) . . . . ?
C39 P2 C33 C38 -18.2(5) . . . . ?
C32 P2 C33 C38 -131.2(5) . . . . ?
Pt1 P2 C33 C38 116.8(4) . . . . ?
C38 C33 C34 C35 1.2(9) . . . . ?
P2 C33 C34 C35 178.9(5) . . . . ?
C33 C34 C35 C36 -1.5(11) . . . . ?
C34 C35 C36 C37 0.3(12) . . . . ?
C35 C36 C37 C38 1.1(12) . . . . ?
C36 C37 C38 C33 -1.3(11) . . . . ?
C34 C33 C38 C37 0.2(9) . . . . ?
P2 C33 C38 C37 -177.5(5) . . . . ?
C33 P2 C39 C40 111.6(5) . . . . ?
C32 P2 C39 C40 -138.0(5) . . . . ?
Pt1 P2 C39 C40 -26.0(5) . . . . ?
C33 P2 C39 C44 -65.6(5) . . . . ?
C32 P2 C39 C44 44.8(5) . . . . ?
Pt1 P2 C39 C44 156.8(4) . . . . ?
C44 C39 C40 C41 0.3(8) . . . . ?
P2 C39 C40 C41 -177.0(4) . . . . ?
C39 C40 C41 C42 -0.7(9) . . . . ?
C40 C41 C42 C43 0.3(10) . . . . ?
C41 C42 C43 C44 0.6(10) . . . . ?
C42 C43 C44 C39 -1.0(10) . . . . ?
C40 C39 C44 C43 0.6(9) . . . . ?
P2 C39 C44 C43 177.8(5) . . . . ?
