#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:40:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178576 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/86/4068684.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_4068684
loop_
_publ_author_name
'Zucca, Antonio'
'Petretto, Giacomo Luigi'
'Stoccoro, Sergio'
'Cinellu, Maria Agostina'
'Manassero, Mario'
'Manassero, Carlo'
'Minghetti, Giovanni'
_publ_section_title
;
 Cyclometalation of 2,2′-Bipyridine. Mono- and Dinuclear C,N
 Platinum(II) Derivatives
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2150
_journal_paper_doi               10.1021/om801033g
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C28 H22 Cl N2 P Pt'
_chemical_formula_weight         648.02
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             07-12-02
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                101.229(1)
_cell_angle_beta                 100.839(1)
_cell_angle_gamma                106.739(1)
_cell_formula_units_Z            4
_cell_length_a                   10.8349(6)
_cell_length_b                   13.6678(7)
_cell_length_c                   17.7696(9)
_cell_measurement_reflns_used    8958
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     2386.8(2)
_computing_cell_refinement       'SMART (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_structure_refinement
' Full-matrix least-squares  (The Personal SDP, 1991)'
_computing_structure_solution
' SHELXS-86  (Sheldrick, 1986) as implemented in The Personal SDP'
_diffrn_ambient_temperature      150
_diffrn_measurement_device       'SMART (Bruker)'
_diffrn_measurement_method       omega
_diffrn_radiation_detector       'SMART CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_reduction_process SAINT
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         270
_exptl_absorpt_coefficient_mu    6.137
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '  SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_description       prism
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.907
_refine_diff_density_min         -.734
_refine_ls_goodness_of_fit_all   0.959
_refine_ls_goodness_of_fit_obs   0.959
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     595
_refine_ls_number_reflns         12219
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.030
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.040
_cod_data_source_file            om801033g_si_001.cif
_cod_data_source_block           compound_3b
_cod_database_code               4068684
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_number_total      44199
_diffrn_reflns_number_independent 12219
_r_int                           0.0285
_total_number_of_frames          3660
_time_per_frame_seconds          10
_frame_width_degrees             0.30
_detector_sample_distance_cm     6.00
_conventional_r1_(i>2\s(i))      0.020
_reflections_with_i>2\s(i)       9719
_refine_diff_density_esd         0.348
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Pt 0.504922(9) 0.156642(7) 0.339013(5) 1.00 0.01577(3) Uani Pt
Pt' -.073149(8) 0.360380(7) -.327037(5) 1.00 0.01451(3) Uani Pt
Cl 0.36104(6) 0.25686(5) 0.31724(4) 1.00 0.0236(2) Uani Cl
Cl' -0.17543(6) 0.41274(5) -0.22611(3) 1.00 0.0236(2) Uani Cl
P 0.50673(6) 0.11663(5) 0.21132(4) 1.00 0.0172(2) Uani P
P' 0.07155(6) 0.31589(5) -0.24555(4) 1.00 0.0157(2) Uani P
N1 0.5071(2) 0.1856(1) 0.4596(1) 1.00 0.0194(8) Uani N
N1' -0.1853(2) 0.4156(1) -0.4072(1) 1.00 0.0173(7) Uani N
N2 0.7340(2) 0.0454(2) 0.4970(1) 1.00 0.0243(8) Uani N
N2' -0.0437(2) 0.3245(2) -0.5615(1) 1.00 0.0234(8) Uani N
C1 0.5803(2) 0.1401(2) 0.5019(1) 1.00 0.0193(9) Uani C
C1' -0.1613(2) 0.4019(2) -0.4796(1) 1.00 0.0184(9) Uani C
C2 0.5860(2) 0.1468(2) 0.5814(1) 1.00 0.024(1) Uani C
C2' -0.2224(2) 0.4393(2) -0.5385(1) 1.00 0.024(1) Uani C
C3 0.5155(3) 0.2020(2) 0.6183(1) 1.00 0.027(1) Uani C
C3' -0.3069(3) 0.4945(2) -0.5209(1) 1.00 0.027(1) Uani C
C4 0.4417(3) 0.2496(2) 0.5752(2) 1.00 0.028(1) Uani C
C4' -0.3298(2) 0.5096(2) -0.4460(2) 1.00 0.026(1) Uani C
C5 0.4393(2) 0.2391(2) 0.4960(1) 1.00 0.024(1) Uani C
C5' -0.2681(2) 0.4690(2) -0.3911(1) 1.00 0.023(1) Uani C
C6 0.6526(2) 0.0860(2) 0.4568(1) 1.00 0.0199(9) Uani C
C6' -0.0672(2) 0.3449(2) -0.4901(1) 1.00 0.0181(9) Uani C
C7 0.6335(2) 0.0845(2) 0.3755(1) 1.00 0.0192(9) Uani C
C7' -0.0112(2) 0.3156(2) -0.4232(1) 1.00 0.0167(9) Uani C
C8 0.7115(2) 0.0376(2) 0.3371(1) 1.00 0.0211(9) Uani C
C8' 0.0731(2) 0.2570(2) -0.4371(1) 1.00 0.0208(9) Uani C
C9 0.7968(2) -0.0052(2) 0.3773(2) 1.00 0.024(1) Uani C
C9' 0.0976(2) 0.2340(2) -0.5110(1) 1.00 0.024(1) Uani C
C10 0.8048(2) 0.0006(2) 0.4566(1) 1.00 0.025(1) Uani C
C10' 0.0392(3) 0.2700(2) -0.5711(1) 1.00 0.026(1) Uani C
C11 0.3710(2) 0.1255(2) 0.1369(1) 1.00 0.0209(9) Uani C
C11' 0.0869(2) 0.3605(2) -0.1399(1) 1.00 0.0196(9) Uani C
C12 0.3649(3) 0.2249(2) 0.1331(2) 1.00 0.028(1) Uani C
C12' -0.0076(2) 0.3040(2) -0.1066(1) 1.00 0.027(1) Uani C
C13 0.2650(3) 0.2345(2) 0.0764(2) 1.00 0.033(1) Uani C
C13' 0.0014(3) 0.3358(2) -0.0263(2) 1.00 0.035(1) Uani C
C14 0.1708(3) 0.1455(2) 0.0230(2) 1.00 0.035(1) Uani C
C14' 0.1030(3) 0.4249(2) 0.0220(2) 1.00 0.038(1) Uani C
C15 0.1762(3) 0.0466(2) 0.0257(2) 1.00 0.036(1) Uani C
C15' 0.1948(3) 0.4818(2) -0.0103(2) 1.00 0.043(1) Uani C
C16 0.2756(3) 0.0358(2) 0.0823(2) 1.00 0.029(1) Uani C
C16' 0.1888(3) 0.4502(2) -0.0908(2) 1.00 0.031(1) Uani C
C17 0.6547(2) 0.2015(2) 0.1927(1) 1.00 0.0189(9) Uani C
C17' 0.0340(2) 0.1740(2) -0.2572(1) 1.00 0.0173(9) Uani C
C18 0.7684(2) 0.2557(2) 0.2553(1) 1.00 0.0219(9) Uani C
C18' -0.0754(2) 0.1043(2) -0.3175(1) 1.00 0.0214(9) Uani C
C19 0.8814(2) 0.3212(2) 0.2425(2) 1.00 0.027(1) Uani C
C19' -0.1201(2) -0.0029(2) -0.3207(1) 1.00 0.026(1) Uani C
C20 0.8817(3) 0.3353(2) 0.1670(2) 1.00 0.034(1) Uani C
C20' -0.0543(3) -0.0408(2) -0.2642(2) 1.00 0.029(1) Uani C
C21 0.7687(3) 0.2818(2) 0.1046(2) 1.00 0.036(1) Uani C
C21' 0.0577(3) 0.0279(2) -0.2054(2) 1.00 0.027(1) Uani C
C22 0.6561(3) 0.2152(2) 0.1171(1) 1.00 0.027(1) Uani C
C22' 0.1012(2) 0.1350(2) -0.2015(1) 1.00 0.0210(9) Uani C
C23 0.4988(2) -0.0186(2) 0.1709(1) 1.00 0.0185(9) Uani C
C23' 0.2411(2) 0.3768(2) -0.2521(1) 1.00 0.0175(9) Uani C
C24 0.4109(2) -0.1000(2) 0.1906(2) 1.00 0.026(1) Uani C
C24' 0.2674(2) 0.4716(2) -0.2742(1) 1.00 0.0209(9) Uani C
C25 0.3927(3) -0.2055(2) 0.1558(2) 1.00 0.032(1) Uani C
C25' 0.3962(2) 0.5295(2) -0.2734(1) 1.00 0.024(1) Uani C
C26 0.4674(3) -0.2283(2) 0.1035(2) 1.00 0.032(1) Uani C
C26' 0.5000(2) 0.4931(2) -0.2507(1) 1.00 0.025(1) Uani C
C27 0.5571(3) -0.1485(2) 0.0846(2) 1.00 0.030(1) Uani C
C27' 0.4748(2) 0.3982(2) -0.2296(2) 1.00 0.026(1) Uani C
C28 0.5715(2) -0.0434(2) 0.1177(1) 1.00 0.023(1) Uani C
C28' 0.3461(2) 0.3399(2) -0.2304(1) 1.00 0.022(1) Uani C
H1 0.6387 0.1132 0.6107 1.00 0.0261 Uiso H
H2 0.5178 0.2074 0.6738 1.00 0.0299 Uiso H
H3 0.3925 0.2896 0.6001 1.00 0.0306 Uiso H
H4 0.3867 0.2717 0.4655 1.00 0.0266 Uiso H
H5 0.7061 0.0348 0.2816 1.00 0.0232 Uiso H
H6 0.8498 -0.0385 0.3501 1.00 0.0266 Uiso H
H7 0.8647 -0.0293 0.4843 1.00 0.0271 Uiso H
H8 0.4311 0.2881 0.1705 1.00 0.0312 Uiso H
H9 0.2615 0.3042 0.0745 1.00 0.0366 Uiso H
H10 0.1009 0.1522 -0.0166 1.00 0.0385 Uiso H
H11 0.1100 -0.0160 -0.0122 1.00 0.0393 Uiso H
H12 0.2784 -0.0341 0.0838 1.00 0.0318 Uiso H
H13 0.7682 0.2474 0.3082 1.00 0.0241 Uiso H
H14 0.9607 0.3575 0.2861 1.00 0.0294 Uiso H
H15 0.9605 0.3823 0.1581 1.00 0.0370 Uiso H
H16 0.7687 0.2912 0.0519 1.00 0.0399 Uiso H
H17 0.5777 0.1776 0.0730 1.00 0.0299 Uiso H
H18 0.3619 -0.0833 0.2289 1.00 0.0287 Uiso H
H19 0.3286 -0.2622 0.1679 1.00 0.0347 Uiso H
H20 0.4563 -0.3016 0.0800 1.00 0.0352 Uiso H
H21 0.6096 -0.1654 0.0486 1.00 0.0321 Uiso H
H22 0.6327 0.0130 0.1035 1.00 0.0258 Uiso H
H23 -0.2061 0.4271 -0.5908 1.00 0.0266 Uiso H
H24 -0.3498 0.5222 -0.5606 1.00 0.0297 Uiso H
H25 -0.3884 0.5483 -0.4326 1.00 0.0287 Uiso H
H26 -0.2848 0.4791 -0.3388 1.00 0.0252 Uiso H
H27 0.1145 0.2325 -0.3946 1.00 0.0228 Uiso H
H28 0.1553 0.1929 -0.5207 1.00 0.0264 Uiso H
H29 0.0593 0.2552 -0.6222 1.00 0.0290 Uiso H
H30 -0.0805 0.2417 -0.1400 1.00 0.0302 Uiso H
H31 -0.0643 0.2950 -0.0038 1.00 0.0382 Uiso H
H32 0.1093 0.4471 0.0783 1.00 0.0423 Uiso H
H33 0.2654 0.5454 0.0233 1.00 0.0468 Uiso H
H34 0.2559 0.4909 -0.1124 1.00 0.0337 Uiso H
H35 -0.1206 0.1306 -0.3575 1.00 0.0236 Uiso H
H36 -0.1972 -0.0513 -0.3623 1.00 0.0290 Uiso H
H37 -0.0865 -0.1154 -0.2658 1.00 0.0315 Uiso H
H38 0.1053 0.0009 -0.1671 1.00 0.0298 Uiso H
H39 0.1786 0.1830 -0.1599 1.00 0.0231 Uiso H
H40 0.1948 0.4975 -0.2902 1.00 0.0230 Uiso H
H41 0.4132 0.5954 -0.2889 1.00 0.0267 Uiso H
H42 0.5903 0.5338 -0.2495 1.00 0.0278 Uiso H
H43 0.5477 0.3723 -0.2142 1.00 0.0284 Uiso H
H44 0.3293 0.2735 -0.2157 1.00 0.0243 Uiso H
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt 0 4 -2.3520 8.3880 'International Tables Vol IV Table 2.2A'
Cl 0 4 0.1320 0.1590 'International Tables Vol IV Table 2.2A'
P 0 4 0.0900 0.0950 'International Tables Vol IV Table 2.2A'
N 0 8 0.0040 0.0030 'International Tables Vol IV Table 2.2A'
C 0 112 0.0020 0.0020 'International Tables Vol IV Table 2.2A'
H 0 88 0.0000 0.0000 'International Tables Vol IV Table 2.2A'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl Pt P 92.7(1) 1_555 1_555 1_555 yes
Cl Pt N1 90.8(1) 1_555 1_555 1_555 yes
Cl Pt C7 171.0(1) 1_555 1_555 1_555 yes
P Pt N1 176.2(1) 1_555 1_555 1_555 yes
P Pt C7 95.8(1) 1_555 1_555 1_555 yes
N1 Pt C7 80.8(1) 1_555 1_555 1_555 yes
Cl' Pt' P' 93.3(1) 1_555 1_555 1_555 yes
Cl' Pt' N1' 91.5(1) 1_555 1_555 1_555 yes
Cl' Pt' C7' 171.6(1) 1_555 1_555 1_555 yes
P' Pt' N1' 171.9(1) 1_555 1_555 1_555 yes
P' Pt' C7' 94.7(1) 1_555 1_555 1_555 yes
N1' Pt' C7' 80.8(1) 1_555 1_555 1_555 yes
Pt P C11 118.7(1) 1_555 1_555 1_555 yes
Pt P C17 112.5(1) 1_555 1_555 1_555 yes
Pt P C23 114.9(1) 1_555 1_555 1_555 yes
C11 P C17 102.7(1) 1_555 1_555 1_555 yes
C11 P C23 100.5(1) 1_555 1_555 1_555 yes
C17 P C23 106.0(1) 1_555 1_555 1_555 yes
Pt' P' C11' 116.6(1) 1_555 1_555 1_555 yes
Pt' P' C17' 115.3(1) 1_555 1_555 1_555 yes
Pt' P' C23' 110.7(1) 1_555 1_555 1_555 yes
C11' P' C17' 100.3(1) 1_555 1_555 1_555 yes
C11' P' C23' 102.3(1) 1_555 1_555 1_555 yes
C17' P' C23' 110.5(1) 1_555 1_555 1_555 yes
Pt N1 C1 114.5(2) 1_555 1_555 1_555 yes
Pt N1 C5 126.6(2) 1_555 1_555 1_555 yes
C1 N1 C5 118.9(2) 1_555 1_555 1_555 yes
Pt' N1' C1' 114.4(2) 1_555 1_555 1_555 yes
Pt' N1' C5' 126.3(2) 1_555 1_555 1_555 yes
C1' N1' C5' 119.0(2) 1_555 1_555 1_555 yes
C6 N2 C10 116.7(2) 1_555 1_555 1_555 yes
C6' N2' C10' 116.9(2) 1_555 1_555 1_555 yes
N1 C1 C2 121.6(3) 1_555 1_555 1_555 yes
N1 C1 C6 114.2(2) 1_555 1_555 1_555 yes
C2 C1 C6 124.2(3) 1_555 1_555 1_555 yes
N1' C1' C2' 121.6(3) 1_555 1_555 1_555 yes
N1' C1' C6' 114.4(2) 1_555 1_555 1_555 yes
C2' C1' C6' 124.0(2) 1_555 1_555 1_555 yes
C1 C2 C3 119.0(3) 1_555 1_555 1_555 yes
C1 C2 H1 120.5 1_555 1_555 1_555 yes
C3 C2 H1 120.5 1_555 1_555 1_555 yes
C1' C2' C3' 118.7(2) 1_555 1_555 1_555 yes
C1' C2' H23 120.7 1_555 1_555 1_555 yes
C3' C2' H23 120.7 1_555 1_555 1_555 yes
C2 C3 C4 119.3(3) 1_555 1_555 1_555 yes
C2 C3 H2 120.3 1_555 1_555 1_555 yes
C4 C3 H2 120.3 1_555 1_555 1_555 yes
C2' C3' C4' 119.4(3) 1_555 1_555 1_555 yes
C2' C3' H24 120.3 1_555 1_555 1_555 yes
C4' C3' H24 120.3 1_555 1_555 1_555 yes
C3 C4 C5 118.7(3) 1_555 1_555 1_555 yes
C3 C4 H3 120.7 1_555 1_555 1_555 yes
C5 C4 H3 120.7 1_555 1_555 1_555 yes
C3' C4' C5' 119.0(3) 1_555 1_555 1_555 yes
C3' C4' H25 120.5 1_555 1_555 1_555 yes
C5' C4' H25 120.5 1_555 1_555 1_555 yes
N1 C5 C4 122.5(3) 1_555 1_555 1_555 yes
N1 C5 H4 118.8 1_555 1_555 1_555 yes
C4 C5 H4 118.8 1_555 1_555 1_555 yes
N1' C5' C4' 122.3(2) 1_555 1_555 1_555 yes
N1' C5' H26 118.9 1_555 1_555 1_555 yes
C4' C5' H26 118.9 1_555 1_555 1_555 yes
N2 C6 C1 116.9(2) 1_555 1_555 1_555 yes
N2 C6 C7 126.0(3) 1_555 1_555 1_555 yes
C1 C6 C7 117.1(2) 1_555 1_555 1_555 yes
N2' C6' C1' 117.4(2) 1_555 1_555 1_555 yes
N2' C6' C7' 126.1(3) 1_555 1_555 1_555 yes
C1' C6' C7' 116.4(2) 1_555 1_555 1_555 yes
Pt C7 C6 113.3(2) 1_555 1_555 1_555 yes
Pt C7 C8 132.4(2) 1_555 1_555 1_555 yes
C6 C7 C8 114.2(2) 1_555 1_555 1_555 yes
Pt' C7' C6' 113.8(2) 1_555 1_555 1_555 yes
Pt' C7' C8' 131.8(2) 1_555 1_555 1_555 yes
C6' C7' C8' 114.4(2) 1_555 1_555 1_555 yes
C7 C8 C9 121.0(2) 1_555 1_555 1_555 yes
C7 C8 H5 119.5 1_555 1_555 1_555 yes
C9 C8 H5 119.5 1_555 1_555 1_555 yes
C7' C8' C9' 120.4(2) 1_555 1_555 1_555 yes
C7' C8' H27 119.8 1_555 1_555 1_555 yes
C9' C8' H27 119.8 1_555 1_555 1_555 yes
C8 C9 C10 118.9(3) 1_555 1_555 1_555 yes
C8 C9 H6 120.6 1_555 1_555 1_555 yes
C10 C9 H6 120.6 1_555 1_555 1_555 yes
C8' C9' C10' 119.5(3) 1_555 1_555 1_555 yes
C8' C9' H28 120.3 1_555 1_555 1_555 yes
C10' C9' H28 120.3 1_555 1_555 1_555 yes
N2 C10 C9 123.2(3) 1_555 1_555 1_555 yes
N2 C10 H7 118.4 1_555 1_555 1_555 yes
C9 C10 H7 118.4 1_555 1_555 1_555 yes
N2' C10' C9' 122.6(3) 1_555 1_555 1_555 yes
N2' C10' H29 118.7 1_555 1_555 1_555 yes
C9' C10' H29 118.7 1_555 1_555 1_555 yes
P C11 C12 119.2(2) 1_555 1_555 1_555 yes
P C11 C16 122.0(2) 1_555 1_555 1_555 yes
C12 C11 C16 118.8(2) 1_555 1_555 1_555 yes
P' C11' C12' 119.3(1) 1_555 1_555 1_555 yes
P' C11' C16' 122.3(2) 1_555 1_555 1_555 yes
C12' C11' C16' 118.4(2) 1_555 1_555 1_555 yes
C11 C12 C13 120.7(2) 1_555 1_555 1_555 yes
C11 C12 H8 119.7 1_555 1_555 1_555 yes
C13 C12 H8 119.7 1_555 1_555 1_555 yes
C11' C12' C13' 120.7(2) 1_555 1_555 1_555 yes
C11' C12' H30 119.6 1_555 1_555 1_555 yes
C13' C12' H30 119.6 1_555 1_555 1_555 yes
C12 C13 C14 120.1(3) 1_555 1_555 1_555 yes
C12 C13 H9 119.9 1_555 1_555 1_555 yes
C14 C13 H9 119.9 1_555 1_555 1_555 yes
C12' C13' C14' 120.5(3) 1_555 1_555 1_555 yes
C12' C13' H31 119.8 1_555 1_555 1_555 yes
C14' C13' H31 119.8 1_555 1_555 1_555 yes
C13 C14 C15 119.8(3) 1_555 1_555 1_555 yes
C13 C14 H10 120.1 1_555 1_555 1_555 yes
C15 C14 H10 120.1 1_555 1_555 1_555 yes
C13' C14' C15' 119.2(3) 1_555 1_555 1_555 yes
C13' C14' H32 120.4 1_555 1_555 1_555 yes
C15' C14' H32 120.4 1_555 1_555 1_555 yes
C14 C15 C16 120.7(2) 1_555 1_555 1_555 yes
C14 C15 H11 119.7 1_555 1_555 1_555 yes
C16 C15 H11 119.7 1_555 1_555 1_555 yes
C14' C15' C16' 121.2(2) 1_555 1_555 1_555 yes
C14' C15' H33 119.4 1_555 1_555 1_555 yes
C16' C15' H33 119.4 1_555 1_555 1_555 yes
C11 C16 C15 119.9(3) 1_555 1_555 1_555 yes
C11 C16 H12 120.0 1_555 1_555 1_555 yes
C15 C16 H12 120.0 1_555 1_555 1_555 yes
C11' C16' C15' 119.9(3) 1_555 1_555 1_555 yes
C11' C16' H34 120.0 1_555 1_555 1_555 yes
C15' C16' H34 120.0 1_555 1_555 1_555 yes
P C17 C18 119.6(2) 1_555 1_555 1_555 yes
P C17 C22 121.3(2) 1_555 1_555 1_555 yes
C18 C17 C22 119.1(2) 1_555 1_555 1_555 yes
P' C17' C18' 118.4(2) 1_555 1_555 1_555 yes
P' C17' C22' 121.5(1) 1_555 1_555 1_555 yes
C18' C17' C22' 119.6(2) 1_555 1_555 1_555 yes
C17 C18 C19 120.4(2) 1_555 1_555 1_555 yes
C17 C18 H13 119.8 1_555 1_555 1_555 yes
C19 C18 H13 119.8 1_555 1_555 1_555 yes
C17' C18' C19' 120.1(2) 1_555 1_555 1_555 yes
C17' C18' H35 120.0 1_555 1_555 1_555 yes
C19' C18' H35 120.0 1_555 1_555 1_555 yes
C18 C19 C20 120.2(2) 1_555 1_555 1_555 yes
C18 C19 H14 119.9 1_555 1_555 1_555 yes
C20 C19 H14 119.9 1_555 1_555 1_555 yes
C18' C19' C20' 120.0(2) 1_555 1_555 1_555 yes
C18' C19' H36 120.0 1_555 1_555 1_555 yes
C20' C19' H36 120.0 1_555 1_555 1_555 yes
C19 C20 C21 119.6(3) 1_555 1_555 1_555 yes
C19 C20 H15 120.2 1_555 1_555 1_555 yes
C21 C20 H15 120.2 1_555 1_555 1_555 yes
C19' C20' C21' 120.1(2) 1_555 1_555 1_555 yes
C19' C20' H37 119.9 1_555 1_555 1_555 yes
C21' C20' H37 119.9 1_555 1_555 1_555 yes
C20 C21 C22 120.4(3) 1_555 1_555 1_555 yes
C20 C21 H16 119.8 1_555 1_555 1_555 yes
C22 C21 H16 119.8 1_555 1_555 1_555 yes
C20' C21' C22' 119.9(3) 1_555 1_555 1_555 yes
C20' C21' H38 120.0 1_555 1_555 1_555 yes
C22' C21' H38 120.0 1_555 1_555 1_555 yes
C17 C22 C21 120.3(2) 1_555 1_555 1_555 yes
C17 C22 H17 119.8 1_555 1_555 1_555 yes
C21 C22 H17 119.8 1_555 1_555 1_555 yes
C17' C22' C21' 120.3(2) 1_555 1_555 1_555 yes
C17' C22' H39 119.9 1_555 1_555 1_555 yes
C21' C22' H39 119.9 1_555 1_555 1_555 yes
P C23 C24 118.3(2) 1_555 1_555 1_555 yes
P C23 C28 122.3(2) 1_555 1_555 1_555 yes
C24 C23 C28 119.3(2) 1_555 1_555 1_555 yes
P' C23' C24' 116.4(2) 1_555 1_555 1_555 yes
P' C23' C28' 124.5(2) 1_555 1_555 1_555 yes
C24' C23' C28' 118.8(2) 1_555 1_555 1_555 yes
C23 C24 C25 120.4(3) 1_555 1_555 1_555 yes
C23 C24 H18 119.8 1_555 1_555 1_555 yes
C25 C24 H18 119.8 1_555 1_555 1_555 yes
C23' C24' C25' 120.9(3) 1_555 1_555 1_555 yes
C23' C24' H40 119.6 1_555 1_555 1_555 yes
C25' C24' H40 119.6 1_555 1_555 1_555 yes
C24 C25 C26 119.2(3) 1_555 1_555 1_555 yes
C24 C25 H19 120.4 1_555 1_555 1_555 yes
C26 C25 H19 120.4 1_555 1_555 1_555 yes
C24' C25' C26' 119.9(3) 1_555 1_555 1_555 yes
C24' C25' H41 120.0 1_555 1_555 1_555 yes
C26' C25' H41 120.0 1_555 1_555 1_555 yes
C25 C26 C27 121.1(3) 1_555 1_555 1_555 yes
C25 C26 H20 119.5 1_555 1_555 1_555 yes
C27 C26 H20 119.5 1_555 1_555 1_555 yes
C25' C26' C27' 119.8(2) 1_555 1_555 1_555 yes
C25' C26' H42 120.1 1_555 1_555 1_555 yes
C27' C26' H42 120.1 1_555 1_555 1_555 yes
C26 C27 C28 119.3(3) 1_555 1_555 1_555 yes
C26 C27 H21 120.3 1_555 1_555 1_555 yes
C28 C27 H21 120.3 1_555 1_555 1_555 yes
C26' C27' C28' 120.5(3) 1_555 1_555 1_555 yes
C26' C27' H43 119.8 1_555 1_555 1_555 yes
C28' C27' H43 119.8 1_555 1_555 1_555 yes
C23 C28 C27 120.6(2) 1_555 1_555 1_555 yes
C23 C28 H22 119.7 1_555 1_555 1_555 yes
C27 C28 H22 119.7 1_555 1_555 1_555 yes
C23' C28' C27' 120.1(2) 1_555 1_555 1_555 yes
C23' C28' H44 119.9 1_555 1_555 1_555 yes
C27' C28' H44 119.9 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt Cl 2.380(1) 1_555 1_555 yes
Pt P 2.233(1) 1_555 1_555 yes
Pt N1 2.097(2) 1_555 1_555 yes
Pt C7 2.008(3) 1_555 1_555 yes
Pt' Cl' 2.379(1) 1_555 1_555 yes
Pt' P' 2.228(1) 1_555 1_555 yes
Pt' N1' 2.091(2) 1_555 1_555 yes
Pt' C7' 2.002(3) 1_555 1_555 yes
P C11 1.833(3) 1_555 1_555 yes
P C17 1.817(2) 1_555 1_555 yes
P C23 1.819(3) 1_555 1_555 yes
P' C11' 1.818(2) 1_555 1_555 yes
P' C17' 1.824(2) 1_555 1_555 yes
P' C23' 1.822(2) 1_555 1_555 yes
N1 C1 1.350(4) 1_555 1_555 yes
N1 C5 1.339(4) 1_555 1_555 yes
N1' C1' 1.348(3) 1_555 1_555 yes
N1' C5' 1.346(4) 1_555 1_555 yes
N2 C6 1.341(4) 1_555 1_555 yes
N2 C10 1.336(4) 1_555 1_555 yes
N2' C6' 1.333(3) 1_555 1_555 yes
N2' C10' 1.336(4) 1_555 1_555 yes
C1 C2 1.386(4) 1_555 1_555 yes
C1 C6 1.463(4) 1_555 1_555 yes
C1' C2' 1.392(4) 1_555 1_555 yes
C1' C6' 1.467(4) 1_555 1_555 yes
C2 C3 1.383(4) 1_555 1_555 yes
C2 H1 0.970 1_555 1_555 yes
C2' C3' 1.385(4) 1_555 1_555 yes
C2' H23 0.970 1_555 1_555 yes
C3 C4 1.383(4) 1_555 1_555 yes
C3 H2 0.970 1_555 1_555 yes
C3' C4' 1.385(4) 1_555 1_555 yes
C3' H24 0.970 1_555 1_555 yes
C4 C5 1.382(4) 1_555 1_555 yes
C4 H3 0.970 1_555 1_555 yes
C4' C5' 1.374(4) 1_555 1_555 yes
C4' H25 0.970 1_555 1_555 yes
C5 H4 0.970 1_555 1_555 yes
C5' H26 0.970 1_555 1_555 yes
C6 C7 1.416(4) 1_555 1_555 yes
C6' C7' 1.413(4) 1_555 1_555 yes
C7 C8 1.396(4) 1_555 1_555 yes
C7' C8' 1.402(4) 1_555 1_555 yes
C8 C9 1.390(4) 1_555 1_555 yes
C8 H5 0.970 1_555 1_555 yes
C8' C9' 1.383(4) 1_555 1_555 yes
C8' H27 0.970 1_555 1_555 yes
C9 C10 1.380(4) 1_555 1_555 yes
C9 H6 0.970 1_555 1_555 yes
C9' C10' 1.383(4) 1_555 1_555 yes
C9' H28 0.970 1_555 1_555 yes
C10 H7 0.970 1_555 1_555 yes
C10' H29 0.970 1_555 1_555 yes
C11 C12 1.394(4) 1_555 1_555 yes
C11 C16 1.394(3) 1_555 1_555 yes
C11' C12' 1.395(4) 1_555 1_555 yes
C11' C16' 1.388(3) 1_555 1_555 yes
C12 C13 1.388(4) 1_555 1_555 yes
C12 H8 0.970 1_555 1_555 yes
C12' C13' 1.384(4) 1_555 1_555 yes
C12' H30 0.970 1_555 1_555 yes
C13 C14 1.376(3) 1_555 1_555 yes
C13 H9 0.970 1_555 1_555 yes
C13' C14' 1.377(3) 1_555 1_555 yes
C13' H31 0.970 1_555 1_555 yes
C14 C15 1.379(5) 1_555 1_555 yes
C14 H10 0.970 1_555 1_555 yes
C14' C15' 1.367(5) 1_555 1_555 yes
C14' H32 0.970 1_555 1_555 yes
C15 C16 1.391(4) 1_555 1_555 yes
C15 H11 0.970 1_555 1_555 yes
C15' C16' 1.394(4) 1_555 1_555 yes
C15' H33 0.970 1_555 1_555 yes
C16 H12 0.970 1_555 1_555 yes
C16' H34 0.970 1_555 1_555 yes
C17 C18 1.394(3) 1_555 1_555 yes
C17 C22 1.394(4) 1_555 1_555 yes
C17' C18' 1.391(3) 1_555 1_555 yes
C17' C22' 1.398(4) 1_555 1_555 yes
C18 C19 1.380(4) 1_555 1_555 yes
C18 H13 0.970 1_555 1_555 yes
C18' C19' 1.391(4) 1_555 1_555 yes
C18' H35 0.970 1_555 1_555 yes
C19 C20 1.392(4) 1_555 1_555 yes
C19 H14 0.970 1_555 1_555 yes
C19' C20' 1.390(4) 1_555 1_555 yes
C19' H36 0.970 1_555 1_555 yes
C20 C21 1.386(3) 1_555 1_555 yes
C20 H15 0.970 1_555 1_555 yes
C20' C21' 1.389(3) 1_555 1_555 yes
C20' H37 0.970 1_555 1_555 yes
C21 C22 1.381(4) 1_555 1_555 yes
C21 H16 0.970 1_555 1_555 yes
C21' C22' 1.386(4) 1_555 1_555 yes
C21' H38 0.970 1_555 1_555 yes
C22 H17 0.970 1_555 1_555 yes
C22' H39 0.970 1_555 1_555 yes
C23 C24 1.390(4) 1_555 1_555 yes
C23 C28 1.393(4) 1_555 1_555 yes
C23' C24' 1.393(4) 1_555 1_555 yes
C23' C28' 1.392(4) 1_555 1_555 yes
C24 C25 1.394(4) 1_555 1_555 yes
C24 H18 0.970 1_555 1_555 yes
C24' C25' 1.388(3) 1_555 1_555 yes
C24' H40 0.970 1_555 1_555 yes
C25 C26 1.389(5) 1_555 1_555 yes
C25 H19 0.970 1_555 1_555 yes
C25' C26' 1.381(4) 1_555 1_555 yes
C25' H41 0.970 1_555 1_555 yes
C26 C27 1.380(4) 1_555 1_555 yes
C26 H20 0.970 1_555 1_555 yes
C26' C27' 1.386(4) 1_555 1_555 yes
C26' H42 0.970 1_555 1_555 yes
C27 C28 1.393(4) 1_555 1_555 yes
C27 H21 0.970 1_555 1_555 yes
C27' C28' 1.389(3) 1_555 1_555 yes
C27' H43 0.970 1_555 1_555 yes
C28 H22 0.970 1_555 1_555 yes
C28' H44 0.970 1_555 1_555 yes
