#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003638.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_7003638
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            'C39 H32 Cl N4 P Pt'
_chemical_formula_weight         818.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 132.471(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.565(8)
_cell_length_b                   10.6978(19)
_cell_length_c                   22.217(5)
_cell_measurement_temperature    113(2)
_cell_volume                     6586(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            30213
_diffrn_reflns_theta_full        27.89
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    4.426
_exptl_absorpt_correction_T_max  0.5030
_exptl_absorpt_correction_T_min  0.4164
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.135
_refine_diff_density_min         -1.120
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         7843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0288
_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)+(0.0321P)²+10.3565P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                6918
_reflns_number_total             7843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717777a.txt
_cod_data_source_block           shelxl
_cod_database_code               7003638
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'
'-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
Pt1 Pt 0.153105(4) 0.802843(12) 0.506996(7) 0.01304(5) Uani 1 1 d . . .
Cl1 Cl 0.07572(3) 0.65458(10) 0.22431(5) 0.0293(2) Uani 1 1 d . . .
P1 P 0.09253(3) 0.93285(8) 0.42944(5) 0.01427(17) Uani 1 1 d . . .
N1 N 0.20338(10) 0.6560(3) 0.55164(16) 0.0163(6) Uani 1 1 d . . .
N2 N 0.02960(11) 0.7512(3) 0.39987(17) 0.0186(6) Uani 1 1 d . . .
N3 N 0.10834(10) 0.7201(3) 0.52626(16) 0.0149(6) Uani 1 1 d . . .
N4 N 0.18384(10) 0.7067(3) 0.65464(17) 0.0181(6) Uani 1 1 d . . .
C1 C 0.20515(11) 0.8948(3) 0.52329(18) 0.0169(7) Uani 1 1 d . . .
C2 C 0.20597(13) 1.0208(4) 0.5076(2) 0.0234(8) Uani 1 1 d . . .
H2 H 0.1771 1.0683 0.4767 0.028 Uiso 1 1 calc R . .
C3 C 0.24827(13) 1.0782(4) 0.5362(2) 0.0271(8) Uani 1 1 d . . .
H3 H 0.2478 1.1639 0.5245 0.032 Uiso 1 1 calc R . .
C4 C 0.29112(13) 1.0112(4) 0.5818(2) 0.0273(9) Uani 1 1 d . . .
H4 H 0.3198 1.0507 0.6007 0.033 Uiso 1 1 calc R . .
C5 C 0.29196(13) 0.8872(4) 0.5996(2) 0.0233(8) Uani 1 1 d . . .
H5 H 0.3212 0.8411 0.6308 0.028 Uiso 1 1 calc R . .
C6 C 0.24957(12) 0.8292(3) 0.5716(2) 0.0185(7) Uani 1 1 d . . .
C7 C 0.24813(12) 0.6972(3) 0.58779(19) 0.0183(7) Uani 1 1 d . . .
C8 C 0.28759(13) 0.6165(4) 0.6345(2) 0.0248(8) Uani 1 1 d . . .
H8 H 0.3190 0.6461 0.6608 0.030 Uiso 1 1 calc R . .
C9 C 0.28043(13) 0.4932(4) 0.6421(2) 0.0291(9) Uani 1 1 d . . .
H9 H 0.3071 0.4380 0.6761 0.035 Uiso 1 1 calc R . .
C10 C 0.23389(14) 0.4501(4) 0.5996(2) 0.0263(8) Uani 1 1 d . . .
H10 H 0.2283 0.3646 0.6024 0.032 Uiso 1 1 calc R . .
C11 C 0.19548(12) 0.5338(3) 0.5529(2) 0.0192(7) Uani 1 1 d . . .
C12 C 0.14445(12) 0.4919(3) 0.4978(2) 0.0191(7) Uani 1 1 d . . .
C13 C 0.12808(14) 0.4140(3) 0.5251(2) 0.0261(8) Uani 1 1 d . . .
H13 H 0.1502 0.3827 0.5794 0.031 Uiso 1 1 calc R . .
C14 C 0.07985(15) 0.3820(4) 0.4736(3) 0.0333(9) Uani 1 1 d . . .
H14 H 0.0688 0.3308 0.4930 0.040 Uiso 1 1 calc R . .
C15 C 0.04742(15) 0.4244(4) 0.3933(3) 0.0329(9) Uani 1 1 d . . .
H15 H 0.0142 0.4027 0.3581 0.040 Uiso 1 1 calc R . .
C16 C 0.06364(13) 0.4983(4) 0.3650(2) 0.0265(8) Uani 1 1 d . . .
H16 H 0.0418 0.5255 0.3098 0.032 Uiso 1 1 calc R . .
C17 C 0.11184(13) 0.5328(3) 0.4172(2) 0.0215(7) Uani 1 1 d . . .
H17 H 0.1227 0.5848 0.3977 0.026 Uiso 1 1 calc R . .
C18 C 0.08756(11) 1.0275(3) 0.35646(18) 0.0157(7) Uani 1 1 d . . .
C19 C 0.08205(14) 1.1571(3) 0.3516(2) 0.0246(8) Uani 1 1 d . . .
H19 H 0.0779 1.1988 0.3843 0.030 Uiso 1 1 calc R . .
C20 C 0.08262(15) 1.2255(4) 0.2989(2) 0.0279(9) Uani 1 1 d . . .
H20 H 0.0794 1.3139 0.2964 0.034 Uiso 1 1 calc R . .
C21 C 0.08785(14) 1.1657(4) 0.2502(2) 0.0272(8) Uani 1 1 d . . .
H21 H 0.0885 1.2126 0.2147 0.033 Uiso 1 1 calc R . .
C22 C 0.09217(12) 1.0362(4) 0.2535(2) 0.0219(8) Uani 1 1 d . . .
H22 H 0.0950 0.9946 0.2191 0.026 Uiso 1 1 calc R . .
C23 C 0.09244(12) 0.9673(3) 0.30672(19) 0.0197(7) Uani 1 1 d . . .
H23 H 0.0960 0.8790 0.3093 0.024 Uiso 1 1 calc R . .
C24 C 0.07790(12) 1.0250(3) 0.47827(19) 0.0163(7) Uani 1 1 d . . .
C25 C 0.03083(12) 1.0653(3) 0.4369(2) 0.0208(7) Uani 1 1 d . . .
H25 H 0.0059 1.0528 0.3797 0.025 Uiso 1 1 calc R . .
C26 C 0.02070(13) 1.1231(3) 0.4793(2) 0.0253(8) Uani 1 1 d . . .
H26 H -0.0114 1.1490 0.4512 0.030 Uiso 1 1 calc R . .
C27 C 0.05681(14) 1.1440(4) 0.5626(2) 0.0272(8) Uani 1 1 d . . .
H27 H 0.0495 1.1838 0.5913 0.033 Uiso 1 1 calc R . .
C28 C 0.10327(14) 1.1068(4) 0.6033(2) 0.0270(8) Uani 1 1 d . . .
H28 H 0.1283 1.1229 0.6601 0.032 Uiso 1 1 calc R . .
C29 C 0.11366(13) 1.0456(3) 0.5617(2) 0.0218(7) Uani 1 1 d . . .
H29 H 0.1456 1.0175 0.5906 0.026 Uiso 1 1 calc R . .
C30 C 0.04062(12) 0.8270(3) 0.3603(2) 0.0177(7) Uani 1 1 d . . .
H30A H 0.0118 0.8776 0.3172 0.021 Uiso 1 1 calc R . .
H30B H 0.0472 0.7709 0.3333 0.021 Uiso 1 1 calc R . .
C31 C 0.06056(12) 0.7041(3) 0.4762(2) 0.0175(7) Uani 1 1 d . . .
C32 C 0.03909(12) 0.6381(3) 0.5012(2) 0.0199(7) Uani 1 1 d . . .
H32 H 0.0051 0.6277 0.4637 0.024 Uiso 1 1 calc R . .
C33 C 0.06665(12) 0.5909(3) 0.5772(2) 0.0219(7) Uani 1 1 d . . .
H33 H 0.0525 0.5461 0.5934 0.026 Uiso 1 1 calc R . .
C34 C 0.11771(12) 0.6096(4) 0.6328(2) 0.0212(7) Uani 1 1 d . . .
C35 C 0.13670(12) 0.6783(3) 0.6061(2) 0.0161(7) Uani 1 1 d . . .
C36 C 0.21454(13) 0.6597(4) 0.7301(2) 0.0252(8) Uani 1 1 d . . .
C37 C 0.19913(14) 0.5830(4) 0.7601(2) 0.0333(10) Uani 1 1 d . . .
H37 H 0.2220 0.5473 0.8130 0.040 Uiso 1 1 calc R . .
C38 C 0.15073(14) 0.5601(4) 0.7121(2) 0.0291(9) Uani 1 1 d . . .
H38 H 0.1397 0.5112 0.7324 0.035 Uiso 1 1 calc R . .
C39 C 0.26683(14) 0.6891(4) 0.7800(2) 0.0342(10) Uani 1 1 d . . .
H39A H 0.2702 0.7437 0.7486 0.041 Uiso 1 1 calc R . .
H39B H 0.2847 0.6113 0.7934 0.041 Uiso 1 1 calc R . .
H39C H 0.2798 0.7314 0.8304 0.041 Uiso 1 1 calc R . .
H1 H -0.0007(18) 0.732(5) 0.367(3) 0.052(15) Uiso 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C1 Pt1 N1 79.96(13) . . ?
C1 Pt1 N3 163.00(11) . . ?
N1 Pt1 N3 99.73(11) . . ?
C1 Pt1 P1 101.56(10) . . ?
N1 Pt1 P1 164.67(8) . . ?
N3 Pt1 P1 83.27(8) . . ?
C24 P1 C18 110.11(16) . . ?
C24 P1 C30 104.88(16) . . ?
C18 P1 C30 100.67(15) . . ?
C24 P1 Pt1 116.80(11) . . ?
C18 P1 Pt1 118.95(11) . . ?
C30 P1 Pt1 102.61(11) . . ?
C11 N1 C7 120.4(3) . . ?
C11 N1 Pt1 126.2(2) . . ?
C7 N1 Pt1 113.1(2) . . ?
C31 N2 C30 128.0(3) . . ?
C31 N2 H1 120(3) . . ?
C30 N2 H1 112(3) . . ?
C31 N3 C35 117.5(3) . . ?
C31 N3 Pt1 131.8(2) . . ?
C35 N3 Pt1 110.7(2) . . ?
C36 N4 C35 118.3(3) . . ?
C2 C1 C6 116.9(3) . . ?
C2 C1 Pt1 128.0(3) . . ?
C6 C1 Pt1 113.7(2) . . ?
C3 C2 C1 121.4(4) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.9(4) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 121.3(3) . . ?
C5 C6 C7 122.4(3) . . ?
C1 C6 C7 116.3(3) . . ?
N1 C7 C8 120.6(3) . . ?
N1 C7 C6 113.8(3) . . ?
C8 C7 C6 125.6(3) . . ?
C9 C8 C7 119.1(3) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 C10 119.6(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C9 C10 C11 119.3(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
N1 C11 C10 120.5(3) . . ?
N1 C11 C12 117.1(3) . . ?
C10 C11 C12 122.2(3) . . ?
C17 C12 C13 119.0(3) . . ?
C17 C12 C11 119.4(3) . . ?
C13 C12 C11 121.6(3) . . ?
C14 C13 C12 120.2(4) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 120.3(4) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.0(4) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C12 120.6(4) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
C23 C18 C19 119.4(3) . . ?
C23 C18 P1 117.5(3) . . ?
C19 C18 P1 123.0(3) . . ?
C20 C19 C18 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.4(4) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 119.6(4) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C18 120.1(3) . . ?
C22 C23 H23 120.0 . . ?
C18 C23 H23 120.0 . . ?
C29 C24 C25 118.9(3) . . ?
C29 C24 P1 118.4(3) . . ?
C25 C24 P1 122.4(3) . . ?
C26 C25 C24 119.9(3) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 120.8(3) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 119.7(3) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.1(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C24 C29 C28 120.7(3) . . ?
C24 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
N2 C30 P1 114.4(2) . . ?
N2 C30 H30A 108.7 . . ?
P1 C30 H30A 108.7 . . ?
N2 C30 H30B 108.7 . . ?
P1 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
N3 C31 N2 122.1(3) . . ?
N3 C31 C32 122.0(3) . . ?
N2 C31 C32 115.9(3) . . ?
C33 C32 C31 120.8(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 118.5(3) . . ?
C32 C33 H33 120.7 . . ?
C34 C33 H33 120.7 . . ?
C38 C34 C35 117.2(3) . . ?
C38 C34 C33 124.4(3) . . ?
C35 C34 C33 118.3(3) . . ?
N4 C35 N3 114.2(3) . . ?
N4 C35 C34 123.2(3) . . ?
N3 C35 C34 122.6(3) . . ?
N4 C36 C37 122.2(3) . . ?
N4 C36 C39 116.0(3) . . ?
C37 C36 C39 121.8(3) . . ?
C38 C37 C36 119.4(3) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C37 C38 C34 119.4(3) . . ?
C37 C38 H38 120.3 . . ?
C34 C38 H38 120.3 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 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
Pt1 C1 1.991(3) . ?
Pt1 N1 2.118(3) . ?
Pt1 N3 2.183(3) . ?
Pt1 P1 2.1878(9) . ?
P1 C24 1.805(3) . ?
P1 C18 1.811(3) . ?
P1 C30 1.844(3) . ?
N1 C11 1.346(4) . ?
N1 C7 1.357(4) . ?
N2 C31 1.349(4) . ?
N2 C30 1.448(4) . ?
N2 H1 0.87(5) . ?
N3 C31 1.339(4) . ?
N3 C35 1.389(4) . ?
N4 C36 1.336(4) . ?
N4 C35 1.346(4) . ?
C1 C2 1.398(5) . ?
C1 C6 1.418(5) . ?
C2 C3 1.393(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.403(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.467(5) . ?
C7 C8 1.394(5) . ?
C8 C9 1.380(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.485(5) . ?
C12 C17 1.392(5) . ?
C12 C13 1.395(5) . ?
C13 C14 1.382(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.394(5) . ?
C18 C19 1.396(5) . ?
C19 C20 1.394(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.380(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.391(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.387(5) . ?
C24 C25 1.401(5) . ?
C25 C26 1.378(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.375(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.435(5) . ?
C32 C33 1.348(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.430(5) . ?
C33 H33 0.9500 . ?
C34 C38 1.404(5) . ?
C34 C35 1.405(5) . ?
C36 C37 1.404(5) . ?
C36 C39 1.499(5) . ?
C37 C38 1.373(5) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H1 Cl1 0.87(5) 2.24(5) 3.097(3) 170(5) 2
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
C1 Pt1 P1 C24 -102.59(15) . . . . ?
N1 Pt1 P1 C24 163.2(3) . . . . ?
N3 Pt1 P1 C24 60.89(14) . . . . ?
C1 Pt1 P1 C18 33.44(16) . . . . ?
N1 Pt1 P1 C18 -60.8(3) . . . . ?
N3 Pt1 P1 C18 -163.08(14) . . . . ?
C1 Pt1 P1 C30 143.35(15) . . . . ?
N1 Pt1 P1 C30 49.1(3) . . . . ?
N3 Pt1 P1 C30 -53.17(13) . . . . ?
C1 Pt1 N1 C11 -170.2(3) . . . . ?
N3 Pt1 N1 C11 27.1(3) . . . . ?
P1 Pt1 N1 C11 -73.0(4) . . . . ?
C1 Pt1 N1 C7 15.8(2) . . . . ?
N3 Pt1 N1 C7 -146.9(2) . . . . ?
P1 Pt1 N1 C7 113.0(3) . . . . ?
C1 Pt1 N3 C31 144.5(4) . . . . ?
N1 Pt1 N3 C31 -128.1(3) . . . . ?
P1 Pt1 N3 C31 36.7(3) . . . . ?
C1 Pt1 N3 C35 -35.6(5) . . . . ?
N1 Pt1 N3 C35 51.9(2) . . . . ?
P1 Pt1 N3 C35 -143.3(2) . . . . ?
N1 Pt1 C1 C2 179.3(3) . . . . ?
N3 Pt1 C1 C2 -90.2(5) . . . . ?
P1 Pt1 C1 C2 14.8(3) . . . . ?
N1 Pt1 C1 C6 -14.5(2) . . . . ?
N3 Pt1 C1 C6 76.0(5) . . . . ?
P1 Pt1 C1 C6 -179.0(2) . . . . ?
C6 C1 C2 C3 1.7(5) . . . . ?
Pt1 C1 C2 C3 167.5(3) . . . . ?
C1 C2 C3 C4 -0.3(5) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
C4 C5 C6 C1 1.5(5) . . . . ?
C4 C5 C6 C7 179.3(3) . . . . ?
C2 C1 C6 C5 -2.3(5) . . . . ?
Pt1 C1 C6 C5 -170.1(3) . . . . ?
C2 C1 C6 C7 179.7(3) . . . . ?
Pt1 C1 C6 C7 11.9(4) . . . . ?
C11 N1 C7 C8 -7.2(5) . . . . ?
Pt1 N1 C7 C8 167.2(3) . . . . ?
C11 N1 C7 C6 172.0(3) . . . . ?
Pt1 N1 C7 C6 -13.6(3) . . . . ?
C5 C6 C7 N1 -176.3(3) . . . . ?
C1 C6 C7 N1 1.7(4) . . . . ?
C5 C6 C7 C8 3.0(5) . . . . ?
C1 C6 C7 C8 -179.1(3) . . . . ?
N1 C7 C8 C9 1.4(5) . . . . ?
C6 C7 C8 C9 -177.7(3) . . . . ?
C7 C8 C9 C10 3.5(5) . . . . ?
C8 C9 C10 C11 -2.8(5) . . . . ?
C7 N1 C11 C10 7.9(5) . . . . ?
Pt1 N1 C11 C10 -165.7(3) . . . . ?
C7 N1 C11 C12 -167.3(3) . . . . ?
Pt1 N1 C11 C12 19.1(4) . . . . ?
C9 C10 C11 N1 -2.9(5) . . . . ?
C9 C10 C11 C12 172.1(3) . . . . ?
N1 C11 C12 C17 45.8(5) . . . . ?
C10 C11 C12 C17 -129.4(4) . . . . ?
N1 C11 C12 C13 -133.3(3) . . . . ?
C10 C11 C12 C13 51.6(5) . . . . ?
C17 C12 C13 C14 -2.5(5) . . . . ?
C11 C12 C13 C14 176.6(3) . . . . ?
C12 C13 C14 C15 1.8(6) . . . . ?
C13 C14 C15 C16 0.4(6) . . . . ?
C14 C15 C16 C17 -1.8(6) . . . . ?
C15 C16 C17 C12 1.1(5) . . . . ?
C13 C12 C17 C16 1.1(5) . . . . ?
C11 C12 C17 C16 -178.0(3) . . . . ?
C24 P1 C18 C23 -173.1(2) . . . . ?
C30 P1 C18 C23 -62.7(3) . . . . ?
Pt1 P1 C18 C23 48.2(3) . . . . ?
C24 P1 C18 C19 10.9(4) . . . . ?
C30 P1 C18 C19 121.2(3) . . . . ?
Pt1 P1 C18 C19 -127.8(3) . . . . ?
C23 C18 C19 C20 -1.5(5) . . . . ?
P1 C18 C19 C20 174.5(3) . . . . ?
C18 C19 C20 C21 1.0(6) . . . . ?
C19 C20 C21 C22 0.5(6) . . . . ?
C20 C21 C22 C23 -1.6(6) . . . . ?
C21 C22 C23 C18 1.1(5) . . . . ?
C19 C18 C23 C22 0.5(5) . . . . ?
P1 C18 C23 C22 -175.7(3) . . . . ?
C18 P1 C24 C29 -116.2(3) . . . . ?
C30 P1 C24 C29 136.2(3) . . . . ?
Pt1 P1 C24 C29 23.5(3) . . . . ?
C18 P1 C24 C25 70.5(3) . . . . ?
C30 P1 C24 C25 -37.1(3) . . . . ?
Pt1 P1 C24 C25 -149.8(3) . . . . ?
C29 C24 C25 C26 -0.6(5) . . . . ?
P1 C24 C25 C26 172.6(3) . . . . ?
C24 C25 C26 C27 1.1(6) . . . . ?
C25 C26 C27 C28 0.1(6) . . . . ?
C26 C27 C28 C29 -1.8(6) . . . . ?
C25 C24 C29 C28 -1.0(5) . . . . ?
P1 C24 C29 C28 -174.6(3) . . . . ?
C27 C28 C29 C24 2.2(6) . . . . ?
C31 N2 C30 P1 -33.0(5) . . . . ?
C24 P1 C30 N2 -55.9(3) . . . . ?
C18 P1 C30 N2 -170.2(3) . . . . ?
Pt1 P1 C30 N2 66.6(3) . . . . ?
C35 N3 C31 N2 174.0(3) . . . . ?
Pt1 N3 C31 N2 -6.0(5) . . . . ?
C35 N3 C31 C32 -4.6(5) . . . . ?
Pt1 N3 C31 C32 175.4(2) . . . . ?
C30 N2 C31 N3 -2.3(5) . . . . ?
C30 N2 C31 C32 176.3(3) . . . . ?
N3 C31 C32 C33 0.8(5) . . . . ?
N2 C31 C32 C33 -177.8(3) . . . . ?
C31 C32 C33 C34 1.0(5) . . . . ?
C32 C33 C34 C38 -176.6(4) . . . . ?
C32 C33 C34 C35 1.1(5) . . . . ?
C36 N4 C35 N3 -173.5(3) . . . . ?
C36 N4 C35 C34 5.0(5) . . . . ?
C31 N3 C35 N4 -174.7(3) . . . . ?
Pt1 N3 C35 N4 5.3(3) . . . . ?
C31 N3 C35 C34 6.7(5) . . . . ?
Pt1 N3 C35 C34 -173.2(3) . . . . ?
C38 C34 C35 N4 -5.6(5) . . . . ?
C33 C34 C35 N4 176.6(3) . . . . ?
C38 C34 C35 N3 172.8(3) . . . . ?
C33 C34 C35 N3 -5.0(5) . . . . ?
C35 N4 C36 C37 -0.4(6) . . . . ?
C35 N4 C36 C39 177.0(3) . . . . ?
N4 C36 C37 C38 -3.4(6) . . . . ?
C39 C36 C37 C38 179.4(4) . . . . ?
C36 C37 C38 C34 2.6(6) . . . . ?
C35 C34 C38 C37 1.6(6) . . . . ?
C33 C34 C38 C37 179.3(4) . . . . ?
