#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:09:40 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178597 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/08/4070853.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_4070853
loop_
_publ_author_name
'Vicente, José'
'Arcas, Aurelia'
'Gálvez-López, María-Dolores'
'Juliá-Hernández, Francisco'
'Bautista, Delia'
'Jones, Peter G.'
_publ_section_title
;
 Synthesis of Bis(2,6-dinitroaryl)palladium(II) and
 Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the
 Transphobia Effect and of Transmetalation from Pt to Hg
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1582
_journal_paper_doi               10.1021/om701077y
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C58 H56 Cl4 N4 O17 P2 Pt2'
_chemical_formula_weight         1674.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.449(4)
_cell_angle_beta                 91.862(4)
_cell_angle_gamma                107.581(4)
_cell_formula_units_Z            2
_cell_length_a                   13.2770(8)
_cell_length_b                   13.5786(8)
_cell_length_c                   18.7001(11)
_cell_measurement_reflns_used    7172
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      2.25
_cell_volume                     3168.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω- &  φ-scan'
_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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            64157
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    4.701
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.571
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment
'OH free, acetate methyl rigid, others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     800
_refine_ls_number_reflns         18469
_refine_ls_number_restraints     176
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0259
_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)+(0.0347P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                14705
_reflns_number_total             18469
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om701077y-file005.cif
_cod_data_source_block           klang
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (14
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4070853
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 0.717478(8) 0.410762(7) 0.220148(5) 0.01611(3) Uani 1 1 d . . .
Pt2 Pt 0.502076(8) 0.214661(8) 0.276658(5) 0.01713(3) Uani 1 1 d . . .
P1 P 0.82095(6) 0.45808(5) 0.13227(4) 0.01715(14) Uani 1 1 d . . .
P2 P 0.37909(6) 0.06009(5) 0.25716(4) 0.01873(14) Uani 1 1 d . . .
N11 N 0.9201(2) 0.5431(2) 0.33479(14) 0.0267(5) Uani 1 1 d U . .
N12 N 0.5949(2) 0.5840(2) 0.22403(15) 0.0283(6) Uani 1 1 d U . .
N51 N 0.4446(2) 0.2584(2) 0.43881(13) 0.0269(5) Uani 1 1 d U . .
N52 N 0.3453(2) 0.31321(18) 0.19515(13) 0.0241(5) Uani 1 1 d U . .
O1 O 0.68093(17) 0.25641(15) 0.16249(11) 0.0249(4) Uani 1 1 d . . .
O2 O 0.61508(16) 0.14482(15) 0.23962(11) 0.0236(4) Uani 1 1 d . . .
O3 O 0.62293(18) 0.35557(18) 0.30008(12) 0.0268(5) Uani 1 1 d . . .
H03 H 0.606(3) 0.398(3) 0.313(2) 0.036(12) Uiso 1 1 d . . .
O11 O 1.0112(2) 0.5774(2) 0.32048(14) 0.0475(7) Uani 1 1 d . . .
O12 O 0.8849(2) 0.4586(2) 0.35375(18) 0.0595(9) Uani 1 1 d . . .
O13 O 0.95995(17) 0.73806(16) 0.41296(11) 0.0298(5) Uani 1 1 d . . .
O14 O 0.8390(2) 0.86862(16) 0.38814(12) 0.0356(5) Uani 1 1 d . . .
O15 O 0.64905(19) 0.77844(17) 0.29727(13) 0.0359(5) Uani 1 1 d . . .
O16 O 0.51399(19) 0.5413(2) 0.25144(15) 0.0449(6) Uani 1 1 d . . .
O17 O 0.5994(2) 0.5992(2) 0.16160(14) 0.0473(7) Uani 1 1 d . . .
O51 O 0.5328(3) 0.3094(2) 0.46170(19) 0.0808(12) Uani 1 1 d . . .
O52 O 0.4027(2) 0.17177(18) 0.45191(14) 0.0435(6) Uani 1 1 d . . .
O53 O 0.3078(2) 0.35512(18) 0.49367(11) 0.0355(5) Uani 1 1 d . . .
O54 O 0.1981(2) 0.45084(19) 0.40664(14) 0.0410(6) Uani 1 1 d . . .
O55 O 0.2283(2) 0.43383(17) 0.25845(12) 0.0359(6) Uani 1 1 d . . .
O56 O 0.43127(19) 0.32825(19) 0.16923(12) 0.0357(5) Uani 1 1 d . . .
O57 O 0.25965(19) 0.28089(18) 0.15847(12) 0.0332(5) Uani 1 1 d . . .
C1 C 0.6699(2) 0.1727(2) 0.18848(16) 0.0227(6) Uani 1 1 d U . .
C2 C 0.7272(3) 0.0997(2) 0.15546(18) 0.0337(7) Uani 1 1 d U . .
H2A H 0.7788 0.0939 0.1920 0.040 Uiso 1 1 calc R . .
H2B H 0.7642 0.1270 0.1146 0.040 Uiso 1 1 calc R . .
H2C H 0.6761 0.0304 0.1382 0.040 Uiso 1 1 calc R . .
C11 C 0.7557(2) 0.5549(2) 0.27578(14) 0.0182(5) Uani 1 1 d DU . .
C12 C 0.8469(2) 0.6027(2) 0.32381(15) 0.0204(6) Uani 1 1 d DU . .
C13 C 0.8749(2) 0.7041(2) 0.36247(15) 0.0233(6) Uani 1 1 d DU . .
C14 C 0.8105(2) 0.7667(2) 0.35300(16) 0.0268(6) Uani 1 1 d DU . .
C15 C 0.7190(2) 0.7247(2) 0.30649(16) 0.0247(6) Uani 1 1 d DU . .
C16 C 0.6941(2) 0.6218(2) 0.27106(15) 0.0204(5) Uani 1 1 d DU . .
C17 C 1.0489(3) 0.8183(3) 0.3946(2) 0.0497(10) Uani 1 1 d . . .
H17A H 1.1061 0.8378 0.4335 0.060 Uiso 1 1 calc R . .
H17B H 1.0275 0.8799 0.3887 0.060 Uiso 1 1 calc R . .
H17C H 1.0740 0.7922 0.3492 0.060 Uiso 1 1 calc R . .
C18 C 0.7988(5) 0.8807(3) 0.4567(2) 0.0738(16) Uani 1 1 d . . .
H18A H 0.8227 0.9550 0.4786 0.089 Uiso 1 1 calc R . .
H18B H 0.8247 0.8404 0.4882 0.089 Uiso 1 1 calc R . .
H18C H 0.7212 0.8553 0.4511 0.089 Uiso 1 1 calc R . .
C19 C 0.6871(3) 0.8698(3) 0.2636(2) 0.0503(10) Uani 1 1 d . . .
H19A H 0.6310 0.9024 0.2598 0.060 Uiso 1 1 calc R . .
H19B H 0.7073 0.8496 0.2150 0.060 Uiso 1 1 calc R . .
H19C H 0.7489 0.9197 0.2930 0.060 Uiso 1 1 calc R . .
C21 C 0.8924(2) 0.3642(2) 0.11027(15) 0.0202(5) Uani 1 1 d DU . .
C22 C 0.9510(2) 0.3446(2) 0.16685(17) 0.0252(6) Uani 1 1 d DU . .
H22 H 0.9506 0.3784 0.2150 0.030 Uiso 1 1 calc R . .
C23 C 1.0096(3) 0.2759(2) 0.15297(18) 0.0305(7) Uani 1 1 d DU . .
H23 H 1.0513 0.2644 0.1913 0.037 Uiso 1 1 calc R . .
C24 C 1.0072(3) 0.2246(3) 0.08363(19) 0.0347(8) Uani 1 1 d DU . .
H24 H 1.0469 0.1770 0.0744 0.042 Uiso 1 1 calc R . .
C25 C 0.9482(3) 0.2411(3) 0.02722(18) 0.0344(8) Uani 1 1 d DU . .
H25 H 0.9465 0.2043 -0.0203 0.041 Uiso 1 1 calc R . .
C26 C 0.8908(2) 0.3120(2) 0.04007(16) 0.0264(6) Uani 1 1 d DU . .
H26 H 0.8509 0.3245 0.0012 0.032 Uiso 1 1 calc R . .
C31 C 0.7523(2) 0.4654(2) 0.04872(14) 0.0189(5) Uani 1 1 d DU . .
C32 C 0.6423(2) 0.4251(2) 0.03760(15) 0.0219(6) Uani 1 1 d DU . .
H32 H 0.6026 0.3911 0.0733 0.026 Uiso 1 1 calc R . .
C33 C 0.5906(2) 0.4348(2) -0.02564(16) 0.0268(6) Uani 1 1 d DU . .
H33 H 0.5155 0.4077 -0.0329 0.032 Uiso 1 1 calc R . .
C34 C 0.6484(3) 0.4837(2) -0.07813(17) 0.0294(7) Uani 1 1 d DU . .
H34 H 0.6128 0.4897 -0.1214 0.035 Uiso 1 1 calc R . .
C35 C 0.7581(3) 0.5241(2) -0.06753(16) 0.0280(7) Uani 1 1 d DU . .
H35 H 0.7973 0.5580 -0.1034 0.034 Uiso 1 1 calc R . .
C36 C 0.8104(2) 0.5149(2) -0.00471(15) 0.0238(6) Uani 1 1 d DU . .
H36 H 0.8855 0.5422 0.0023 0.029 Uiso 1 1 calc R . .
C41 C 0.9246(2) 0.5851(2) 0.14999(15) 0.0208(6) Uani 1 1 d DU . .
C42 C 1.0313(2) 0.5934(2) 0.15043(17) 0.0306(7) Uani 1 1 d DU . .
H42 H 1.0525 0.5320 0.1424 0.037 Uiso 1 1 calc R . .
C43 C 1.1077(3) 0.6923(3) 0.1627(2) 0.0413(9) Uani 1 1 d DU . .
H43 H 1.1809 0.6984 0.1635 0.050 Uiso 1 1 calc R . .
C44 C 1.0761(3) 0.7813(3) 0.17387(19) 0.0430(9) Uani 1 1 d DU . .
H44 H 1.1280 0.8485 0.1824 0.052 Uiso 1 1 calc R . .
C45 C 0.9699(3) 0.7735(2) 0.17261(18) 0.0375(8) Uani 1 1 d DU . .
H45 H 0.9490 0.8350 0.1802 0.045 Uiso 1 1 calc R . .
C46 C 0.8936(3) 0.6755(2) 0.16018(16) 0.0288(7) Uani 1 1 d DU . .
H46 H 0.8205 0.6699 0.1586 0.035 Uiso 1 1 calc R . .
C51 C 0.4008(2) 0.2865(2) 0.31585(14) 0.0184(5) Uani 1 1 d DU . .
C52 C 0.3866(2) 0.3019(2) 0.38936(15) 0.0221(6) Uani 1 1 d DU . .
C53 C 0.3203(2) 0.3545(2) 0.42149(16) 0.0260(6) Uani 1 1 d DU . .
C54 C 0.2646(3) 0.3978(2) 0.37718(17) 0.0290(7) Uani 1 1 d DU . .
C55 C 0.2777(2) 0.3890(2) 0.30305(16) 0.0257(6) Uani 1 1 d DU . .
C56 C 0.3421(2) 0.3314(2) 0.27449(15) 0.0208(6) Uani 1 1 d DU . .
C57 C 0.3365(4) 0.4555(3) 0.5375(2) 0.0511(11) Uani 1 1 d . . .
H57A H 0.3248 0.4477 0.5881 0.061 Uiso 1 1 calc R . .
H57B H 0.2931 0.4960 0.5209 0.061 Uiso 1 1 calc R . .
H57C H 0.4116 0.4922 0.5338 0.061 Uiso 1 1 calc R . .
C58 C 0.0946(3) 0.3832(4) 0.4160(3) 0.0579(12) Uani 1 1 d . . .
H58A H 0.0511 0.4255 0.4367 0.069 Uiso 1 1 calc R . .
H58B H 0.1010 0.3350 0.4488 0.069 Uiso 1 1 calc R . .
H58C H 0.0609 0.3430 0.3688 0.069 Uiso 1 1 calc R . .
C59 C 0.2515(3) 0.5462(3) 0.2784(2) 0.0382(8) Uani 1 1 d . . .
H59A H 0.2128 0.5718 0.2436 0.046 Uiso 1 1 calc R . .
H59B H 0.3278 0.5805 0.2780 0.046 Uiso 1 1 calc R . .
H59C H 0.2294 0.5621 0.3271 0.046 Uiso 1 1 calc R . .
C61 C 0.3838(2) -0.0144(2) 0.16879(16) 0.0249(6) Uani 1 1 d DU . .
C62 C 0.3770(3) -0.1201(2) 0.15970(18) 0.0307(7) Uani 1 1 d DU . .
H62 H 0.3736 -0.1545 0.2007 0.037 Uiso 1 1 calc R . .
C63 C 0.3751(3) -0.1749(3) 0.0905(2) 0.0421(9) Uani 1 1 d DU . .
H63 H 0.3722 -0.2464 0.0845 0.051 Uiso 1 1 calc R . .
C64 C 0.3773(3) -0.1269(3) 0.0306(2) 0.0466(10) Uani 1 1 d DU . .
H64 H 0.3725 -0.1657 -0.0166 0.056 Uiso 1 1 calc R . .
C65 C 0.3866(3) -0.0224(3) 0.0396(2) 0.0471(10) Uani 1 1 d DU . .
H65 H 0.3899 0.0113 -0.0018 0.057 Uiso 1 1 calc R . .
C66 C 0.3913(3) 0.0350(3) 0.10797(17) 0.0358(8) Uani 1 1 d DU . .
H66 H 0.3996 0.1078 0.1134 0.043 Uiso 1 1 calc R . .
C71 C 0.2416(2) 0.0608(2) 0.25905(16) 0.0211(6) Uani 1 1 d DU . .
C72 C 0.1784(2) 0.0510(2) 0.19595(18) 0.0282(7) Uani 1 1 d DU . .
H72 H 0.2056 0.0411 0.1500 0.034 Uiso 1 1 calc R . .
C73 C 0.0756(3) 0.0556(2) 0.2002(2) 0.0376(8) Uani 1 1 d DU . .
H73 H 0.0327 0.0481 0.1569 0.045 Uiso 1 1 calc R . .
C74 C 0.0350(3) 0.0709(3) 0.2665(2) 0.0397(8) Uani 1 1 d DU . .
H74 H -0.0353 0.0742 0.2688 0.048 Uiso 1 1 calc R . .
C75 C 0.0971(3) 0.0815(3) 0.3290(2) 0.0383(8) Uani 1 1 d DU . .
H75 H 0.0696 0.0921 0.3748 0.046 Uiso 1 1 calc R . .
C76 C 0.2002(2) 0.0766(2) 0.32567(18) 0.0284(6) Uani 1 1 d DU . .
H76 H 0.2426 0.0842 0.3693 0.034 Uiso 1 1 calc R . .
C81 C 0.3921(2) -0.0244(2) 0.32128(15) 0.0225(6) Uani 1 1 d DU . .
C82 C 0.4887(3) -0.0049(3) 0.36006(18) 0.0341(7) Uani 1 1 d DU . .
H82 H 0.5465 0.0545 0.3549 0.041 Uiso 1 1 calc R . .
C83 C 0.5009(3) -0.0719(3) 0.4062(2) 0.0486(10) Uani 1 1 d DU . .
H83 H 0.5668 -0.0576 0.4334 0.058 Uiso 1 1 calc R . .
C84 C 0.4176(3) -0.1597(3) 0.4131(2) 0.0476(10) Uani 1 1 d DU . .
H84 H 0.4274 -0.2068 0.4436 0.057 Uiso 1 1 calc R . .
C85 C 0.3209(3) -0.1789(3) 0.3757(2) 0.0393(8) Uani 1 1 d DU . .
H85 H 0.2632 -0.2380 0.3816 0.047 Uiso 1 1 calc R . .
C86 C 0.3075(3) -0.1116(2) 0.32955(18) 0.0299(7) Uani 1 1 d DU . .
H86 H 0.2408 -0.1251 0.3036 0.036 Uiso 1 1 calc R . .
C98 C 0.7556(4) 0.2481(4) 0.4098(4) 0.0513(13) Uani 0.900(2) 1 d PD A 1
H98A H 0.6795 0.2177 0.4166 0.062 Uiso 0.900(2) 1 calc PR A 1
H98B H 0.7612 0.2885 0.3693 0.062 Uiso 0.900(2) 1 calc PR A 1
Cl1 Cl 0.81912(10) 0.33224(8) 0.48876(6) 0.0511(3) Uani 0.900(2) 1 d PD A 1
Cl2 Cl 0.81038(15) 0.14774(14) 0.38759(10) 0.0952(7) Uani 0.900(2) 1 d PD A 1
C98' C 0.781(6) 0.237(3) 0.403(4) 0.062(3) Uiso 0.100(2) 1 d PD A 2
H98C H 0.7175 0.2553 0.3886 0.074 Uiso 0.100(2) 1 calc PR A 2
H98D H 0.8187 0.2892 0.4456 0.074 Uiso 0.100(2) 1 calc PR A 2
Cl1' Cl 0.8638(10) 0.2522(9) 0.3322(6) 0.062(3) Uiso 0.100(2) 1 d PD A 2
Cl2' Cl 0.7400(10) 0.1145(9) 0.4294(7) 0.062(3) Uiso 0.100(2) 1 d PD A 2
C99 C 0.7648(4) 0.8022(4) 0.0191(2) 0.0665(14) Uani 1 1 d . . .
H99A H 0.7550 0.7710 -0.0330 0.080 Uiso 1 1 calc R . .
H99B H 0.7971 0.7600 0.0458 0.080 Uiso 1 1 calc R . .
Cl3 Cl 0.85121(10) 0.93235(10) 0.03015(8) 0.0790(4) Uani 1 1 d . . .
Cl4 Cl 0.64174(16) 0.79783(11) 0.05086(10) 0.1270(8) Uani 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'
O O 0.0106 0.0060 '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_publ_flag
C11 Pt1 O3 89.84(10) y
C11 Pt1 O1 178.20(10) y
O3 Pt1 O1 90.20(8) y
C11 Pt1 P1 94.06(8) y
O3 Pt1 P1 175.58(7) y
O1 Pt1 P1 85.84(6) y
C51 Pt2 O3 89.35(10) y
C51 Pt2 O2 176.83(10) y
O3 Pt2 O2 87.98(9) y
C51 Pt2 P2 92.47(8) y
O3 Pt2 P2 175.97(7) y
O2 Pt2 P2 90.09(6) y
C31 P1 C21 107.29(13) y
C31 P1 C41 102.12(12) y
C21 P1 C41 104.29(13) y
C31 P1 Pt1 115.10(9) y
C21 P1 Pt1 108.90(9) y
C41 P1 Pt1 118.15(9) y
C81 P2 C61 104.57(13) y
C81 P2 C71 104.68(13) y
C61 P2 C71 104.43(14) y
C81 P2 Pt2 113.64(10) y
C61 P2 Pt2 112.13(10) y
C71 P2 Pt2 116.27(9) y
O12 N11 O11 122.9(3) ?
O12 N11 C12 118.1(3) ?
O11 N11 C12 118.8(3) ?
O17 N12 O16 125.4(3) ?
O17 N12 C16 117.5(3) ?
O16 N12 C16 117.1(3) ?
O51 N51 O52 122.8(3) ?
O51 N51 C52 118.2(3) ?
O52 N51 C52 118.9(3) ?
O56 N52 O57 123.7(3) ?
O56 N52 C56 119.2(3) ?
O57 N52 C56 117.1(3) ?
C1 O1 Pt1 127.61(18) y
C1 O2 Pt2 122.32(18) y
Pt1 O3 Pt2 120.04(11) y
C13 O13 C17 114.9(2) ?
C14 O14 C18 114.1(3) ?
C15 O15 C19 116.2(3) ?
C53 O53 C57 115.7(3) ?
C54 O54 C58 113.5(3) ?
C55 O55 C59 114.9(3) ?
O2 C1 O1 126.0(3) y
O2 C1 C2 116.3(3) y
O1 C1 C2 117.7(3) y
C16 C11 C12 111.9(2) y
C16 C11 Pt1 123.4(2) ?
C12 C11 Pt1 124.8(2) ?
C13 C12 C11 125.2(3) ?
C13 C12 N11 116.1(3) ?
C11 C12 N11 118.7(2) ?
O13 C13 C12 119.5(3) ?
O13 C13 C14 121.0(3) ?
C12 C13 C14 119.3(3) ?
O14 C14 C15 120.9(3) ?
O14 C14 C13 120.3(3) ?
C15 C14 C13 118.8(3) ?
O15 C15 C14 122.4(3) ?
O15 C15 C16 118.4(3) ?
C14 C15 C16 119.0(3) ?
C15 C16 C11 125.8(3) ?
C15 C16 N12 115.0(2) ?
C11 C16 N12 119.2(2) ?
C26 C21 C22 119.6(3) ?
C26 C21 P1 122.8(2) ?
C22 C21 P1 117.7(2) ?
C23 C22 C21 120.2(3) ?
C24 C23 C22 119.7(3) ?
C23 C24 C25 121.0(3) ?
C24 C25 C26 119.9(3) ?
C21 C26 C25 119.5(3) ?
C32 C31 C36 119.5(3) ?
C32 C31 P1 120.8(2) ?
C36 C31 P1 119.7(2) ?
C33 C32 C31 120.0(3) ?
C34 C33 C32 120.2(3) ?
C33 C34 C35 120.2(3) ?
C36 C35 C34 120.1(3) ?
C35 C36 C31 120.0(3) ?
C42 C41 C46 120.0(3) ?
C42 C41 P1 121.8(2) ?
C46 C41 P1 118.1(2) ?
C41 C42 C43 119.8(3) ?
C44 C43 C42 119.7(3) ?
C45 C44 C43 120.7(3) ?
C44 C45 C46 119.9(3) ?
C45 C46 C41 119.9(3) ?
C52 C51 C56 113.5(3) y
C52 C51 Pt2 121.8(2) ?
C56 C51 Pt2 124.7(2) ?
C51 C52 C53 125.4(3) ?
C51 C52 N51 118.6(2) ?
C53 C52 N51 116.0(2) ?
O53 C53 C52 118.3(3) ?
O53 C53 C54 123.4(3) ?
C52 C53 C54 118.1(3) ?
O54 C54 C53 120.2(3) ?
O54 C54 C55 120.0(3) ?
C53 C54 C55 119.9(3) ?
O55 C55 C56 119.8(3) ?
O55 C55 C54 121.7(3) ?
C56 C55 C54 118.5(3) ?
C55 C56 C51 124.5(3) ?
C55 C56 N52 117.5(2) ?
C51 C56 N52 118.0(2) ?
C66 C61 C62 119.0(3) ?
C66 C61 P2 118.9(2) ?
C62 C61 P2 122.1(2) ?
C63 C62 C61 119.8(3) ?
C64 C63 C62 120.8(3) ?
C65 C64 C63 119.5(3) ?
C64 C65 C66 121.1(3) ?
C65 C66 C61 119.8(3) ?
C72 C71 C76 118.7(3) ?
C72 C71 P2 122.1(2) ?
C76 C71 P2 119.2(2) ?
C73 C72 C71 120.0(3) ?
C74 C73 C72 120.9(3) ?
C75 C74 C73 119.4(3) ?
C74 C75 C76 120.3(3) ?
C71 C76 C75 120.6(3) ?
C82 C81 C86 119.5(3) ?
C82 C81 P2 119.6(2) ?
C86 C81 P2 120.9(2) ?
C83 C82 C81 120.0(3) ?
C82 C83 C84 120.4(3) ?
C85 C84 C83 120.1(3) ?
C84 C85 C86 119.9(3) ?
C85 C86 C81 120.1(3) ?
Cl2 C98 Cl1 111.7(3) ?
Cl1' C98' Cl2' 117.4(18) ?
Cl4 C99 Cl3 111.4(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C11 1.984(3) y
Pt1 O3 2.063(2) y
Pt1 O1 2.1162(19) y
Pt1 P1 2.2192(7) y
Pt2 C51 1.985(3) y
Pt2 O3 2.069(2) y
Pt2 O2 2.0890(19) y
Pt2 P2 2.2069(7) y
P1 C31 1.814(3) y
P1 C21 1.816(3) y
P1 C41 1.830(3) y
P2 C81 1.815(3) y
P2 C61 1.819(3) y
P2 C71 1.829(3) y
N11 O12 1.211(3) ?
N11 O11 1.212(3) ?
N11 C12 1.468(4) ?
N12 O17 1.215(3) ?
N12 O16 1.225(3) ?
N12 C16 1.467(4) ?
N51 O51 1.193(4) ?
N51 O52 1.205(3) ?
N51 C52 1.478(4) ?
N52 O56 1.226(3) ?
N52 O57 1.231(3) ?
N52 C56 1.472(4) ?
O1 C1 1.271(3) y
O2 C1 1.254(3) y
O13 C13 1.367(3) ?
O13 C17 1.435(4) ?
O14 C14 1.375(4) ?
O14 C18 1.412(4) ?
O15 C15 1.364(3) ?
O15 C19 1.436(4) ?
O53 C53 1.364(3) ?
O53 C57 1.419(4) ?
O54 C54 1.379(4) ?
O54 C58 1.436(5) ?
O55 C55 1.361(3) ?
O55 C59 1.450(4) ?
C1 C2 1.500(4) ?
C11 C16 1.404(4) ?
C11 C12 1.407(4) ?
C12 C13 1.392(4) ?
C13 C14 1.399(4) ?
C14 C15 1.388(4) ?
C15 C16 1.391(4) ?
C21 C26 1.393(4) ?
C21 C22 1.396(4) ?
C22 C23 1.387(4) ?
C23 C24 1.373(5) ?
C24 C25 1.378(5) ?
C25 C26 1.397(4) ?
C31 C32 1.393(4) ?
C31 C36 1.407(4) ?
C32 C33 1.391(4) ?
C33 C34 1.388(4) ?
C34 C35 1.389(4) ?
C35 C36 1.385(4) ?
C41 C42 1.387(4) ?
C41 C46 1.397(4) ?
C42 C43 1.399(4) ?
C43 C44 1.386(5) ?
C44 C45 1.381(5) ?
C45 C46 1.389(4) ?
C51 C52 1.387(4) ?
C51 C56 1.401(4) ?
C52 C53 1.392(4) ?
C53 C54 1.394(4) ?
C54 C55 1.395(4) ?
C55 C56 1.393(4) ?
C61 C66 1.394(4) ?
C61 C62 1.395(4) ?
C62 C63 1.391(4) ?
C63 C64 1.373(5) ?
C64 C65 1.371(5) ?
C65 C66 1.386(5) ?
C71 C72 1.392(4) ?
C71 C76 1.392(4) ?
C72 C73 1.390(4) ?
C73 C74 1.381(5) ?
C74 C75 1.373(5) ?
C75 C76 1.393(4) ?
C81 C82 1.385(4) ?
C81 C86 1.397(4) ?
C82 C83 1.382(4) ?
C83 C84 1.385(5) ?
C84 C85 1.376(5) ?
C85 C86 1.389(4) ?
C98 Cl2 1.735(5) ?
C98 Cl1 1.742(7) ?
C98' Cl1' 1.74(2) ?
C98' Cl2' 1.743(19) ?
C99 Cl4 1.744(5) ?
C99 Cl3 1.771(5) ?
