#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:01:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179089 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/51/4305174.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_4305174
loop_
_publ_author_name
'Shengliang Zhao'
'Shamindri M. Arachchige'
'Carla Slebodnick'
'Karen J. Brewer'
_publ_contact_author_address
;Department of Chemistry (0212)
Virginia Polytechnic Institute and State University
Blacksburg, VA 24061
;
_publ_contact_author_email       kbrewer@vt.edu
_publ_contact_author_fax         540-231-3255
_publ_contact_author_name        'Brewer, Karen J.'
_publ_contact_author_phone       540-231-6579
_publ_section_title
;
Synthesis and Study of the Spectroscopic and Redox Properties of
RuII,PtII Mixed-Metal Complexes Bridged by
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6144
_journal_page_last               6152
_journal_paper_doi               10.1021/ic7023296
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C48 H32 Cl2 N12 Pt2 Ru, C4 H10 O, 4(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C56 H48 Cl2 F24 N14 O P4 Pt2 Ru'
_chemical_formula_weight         2075.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 103.4360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4793(2)
_cell_length_b                   24.3668(5)
_cell_length_c                   22.5775(4)
_cell_measurement_reflns_used    11638
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.53
_cell_measurement_theta_min      3.76
_cell_volume                     6677.5(2)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction, 2007)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction, 2007)'
_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      100(2)
_diffrn_detector                 CCD
_diffrn_detector_type            'Oxford Diffraction Sapphire 3 CCD'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_sigmaI/netI    0.0893
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            39337
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.92
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           40
_diffrn_source_voltage           50
_diffrn_standards_decay_%        <2%
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.700
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'CrysAlisPro (Oxford Diffraction, 2007)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4000
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.942
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     916
_refine_ls_number_reflns         11739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0494P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                8771
_reflns_number_total             11739
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7023296-file001_1.cif
_cod_data_source_block           cs1081
_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.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' 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      'P 21/c'
_cod_database_code               4305174
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru1 Ru 0.15348(6) 0.69559(3) 0.88843(3) 0.01525(19) Uani 1 1 d . . .
Pt1 Pt 0.47965(3) 0.727469(17) 1.158888(17) 0.01752(11) Uani 1 1 d . . .
Pt2 Pt -0.20099(3) 0.68923(2) 0.623997(17) 0.02433(13) Uani 1 1 d . . .
Cl1 Cl 0.57187(19) 0.74298(12) 1.25768(11) 0.0263(6) Uani 1 1 d . . .
Cl2 Cl -0.32030(19) 0.69114(14) 0.52989(11) 0.0378(8) Uani 1 1 d . . .
N1 N 0.3966(6) 0.7162(3) 1.0767(3) 0.0177(19) Uani 1 1 d . . .
N2 N 0.2621(6) 0.7023(3) 0.9675(4) 0.0178(19) Uani 1 1 d . . .
N3 N 0.4514(6) 0.6479(3) 1.1649(3) 0.0163(18) Uani 1 1 d . . .
N4 N 0.4852(6) 0.8034(4) 1.1262(3) 0.020(2) Uani 1 1 d . . .
N5 N 0.1001(6) 0.6344(3) 0.9386(3) 0.0188(19) Uani 1 1 d . . .
N6 N 0.2531(6) 0.7594(3) 0.8707(3) 0.0180(19) Uani 1 1 d . . .
N7 N 0.0435(6) 0.6902(3) 0.8094(4) 0.0185(19) Uani 1 1 d . . .
N8 N -0.1006(6) 0.6881(4) 0.7031(3) 0.0186(19) Uani 1 1 d . . .
N9 N 0.2328(6) 0.6432(4) 0.8404(3) 0.021(2) Uani 1 1 d . . .
N10 N 0.0282(6) 0.7450(3) 0.9059(3) 0.0153(18) Uani 1 1 d . . .
N11 N -0.1296(6) 0.6165(4) 0.6170(4) 0.033(2) Uani 1 1 d . . .
N12 N -0.2372(6) 0.7621(4) 0.6537(4) 0.027(2) Uani 1 1 d . . .
C1 C 0.3458(8) 0.6664(4) 1.0647(4) 0.018(2) Uani 1 1 d . . .
C2 C 0.2602(7) 0.6641(4) 1.0104(4) 0.017(2) Uani 1 1 d . . .
C3 C 0.3878(7) 0.7573(4) 1.0366(4) 0.015(2) Uani 1 1 d . . .
C4 C 0.3307(7) 0.7467(4) 0.9768(4) 0.014(2) Uani 1 1 d . . .
C5 C 0.4936(8) 0.6121(5) 1.2093(5) 0.027(3) Uani 1 1 d . . .
H5 H 0.5346 0.6263 1.2471 0.033 Uiso 1 1 calc R . .
C6 C 0.4808(8) 0.5559(5) 1.2034(5) 0.026(3) Uani 1 1 d . . .
H6 H 0.5109 0.5325 1.2368 0.032 Uiso 1 1 calc R . .
C7 C 0.4239(8) 0.5338(5) 1.1486(5) 0.029(3) Uani 1 1 d . . .
H7 H 0.4181 0.4952 1.1426 0.035 Uiso 1 1 calc R . .
C8 C 0.3760(8) 0.5697(4) 1.1030(5) 0.024(2) Uani 1 1 d . . .
H8 H 0.3347 0.5559 1.0652 0.028 Uiso 1 1 calc R . .
C9 C 0.3873(7) 0.6243(5) 1.1115(4) 0.021(2) Uani 1 1 d . . .
C10 C 0.5243(7) 0.8491(5) 1.1581(5) 0.027(3) Uani 1 1 d . . .
H10 H 0.5635 0.8451 1.1993 0.032 Uiso 1 1 calc R . .
C11 C 0.5097(8) 0.9006(5) 1.1338(5) 0.026(3) Uani 1 1 d . . .
H11 H 0.5405 0.9316 1.1572 0.031 Uiso 1 1 calc R . .
C12 C 0.4492(8) 0.9067(5) 1.0744(5) 0.030(3) Uani 1 1 d . . .
H12 H 0.4338 0.9422 1.0573 0.036 Uiso 1 1 calc R . .
C13 C 0.4117(7) 0.8608(4) 1.0405(4) 0.019(2) Uani 1 1 d . . .
H13 H 0.3726 0.8644 0.9993 0.023 Uiso 1 1 calc R . .
C14 C 0.4316(7) 0.8086(5) 1.0673(4) 0.021(2) Uani 1 1 d . . .
C15 C 0.1618(7) 0.6292(4) 0.9969(4) 0.018(2) Uani 1 1 d . . .
C16 C 0.1235(7) 0.5978(4) 1.0391(4) 0.019(2) Uani 1 1 d . . .
H16 H 0.1660 0.5950 1.0798 0.023 Uiso 1 1 calc R . .
C17 C 0.0263(8) 0.5711(5) 1.0226(5) 0.028(3) Uani 1 1 d . . .
H17 H 0.0000 0.5500 1.0516 0.033 Uiso 1 1 calc R . .
C18 C -0.0337(8) 0.5746(4) 0.9644(5) 0.023(2) Uani 1 1 d . . .
H18 H -0.1009 0.5549 0.9518 0.028 Uiso 1 1 calc R . .
C19 C 0.0043(7) 0.6070(5) 0.9237(4) 0.025(3) Uani 1 1 d . . .
H19 H -0.0393 0.6101 0.8833 0.030 Uiso 1 1 calc R . .
C20 C 0.3354(7) 0.7743(4) 0.9188(4) 0.016(2) Uani 1 1 d . . .
C21 C 0.4234(7) 0.8065(4) 0.9129(4) 0.019(2) Uani 1 1 d . . .
H21 H 0.4805 0.8155 0.9473 0.023 Uiso 1 1 calc R . .
C22 C 0.4259(8) 0.8253(5) 0.8545(4) 0.025(3) Uani 1 1 d . . .
H22 H 0.4857 0.8468 0.8483 0.030 Uiso 1 1 calc R . .
C23 C 0.3381(8) 0.8116(5) 0.8057(5) 0.027(3) Uani 1 1 d . . .
H23 H 0.3362 0.8248 0.7658 0.032 Uiso 1 1 calc R . .
C24 C 0.2552(8) 0.7791(4) 0.8162(4) 0.022(2) Uani 1 1 d . . .
H24 H 0.1961 0.7701 0.7828 0.027 Uiso 1 1 calc R . .
C25 C 0.0623(7) 0.6550(4) 0.7660(4) 0.016(2) Uani 1 1 d . . .
C26 C -0.0241(7) 0.6486(4) 0.7144(4) 0.021(2) Uani 1 1 d . . .
C27 C -0.0437(7) 0.7252(4) 0.8007(4) 0.016(2) Uani 1 1 d . . .
C28 C -0.1110(7) 0.7295(4) 0.7412(4) 0.015(2) Uani 1 1 d . . .
C29 C 0.3381(7) 0.6281(4) 0.8562(4) 0.022(2) Uani 1 1 d . . .
H29 H 0.3787 0.6358 0.8964 0.027 Uiso 1 1 calc R . .
C30 C 0.3908(8) 0.6018(5) 0.8172(5) 0.028(3) Uani 1 1 d . . .
H30 H 0.4656 0.5909 0.8307 0.034 Uiso 1 1 calc R . .
C31 C 0.3331(8) 0.5913(5) 0.7578(5) 0.031(3) Uani 1 1 d . . .
H31 H 0.3681 0.5737 0.7298 0.037 Uiso 1 1 calc R . .
C32 C 0.2244(8) 0.6069(4) 0.7403(4) 0.021(2) Uani 1 1 d . . .
H32 H 0.1831 0.5997 0.7001 0.025 Uiso 1 1 calc R . .
C33 C 0.1757(7) 0.6328(4) 0.7815(4) 0.018(2) Uani 1 1 d . . .
C34 C 0.0179(7) 0.7628(4) 0.9602(4) 0.020(2) Uani 1 1 d . . .
H34 H 0.0783 0.7588 0.9943 0.023 Uiso 1 1 calc R . .
C35 C -0.0779(8) 0.7867(5) 0.9682(5) 0.032(3) Uani 1 1 d . . .
H35 H -0.0815 0.8010 1.0069 0.038 Uiso 1 1 calc R . .
C36 C -0.1676(7) 0.7898(4) 0.9203(4) 0.020(2) Uani 1 1 d . . .
H36 H -0.2355 0.8039 0.9260 0.024 Uiso 1 1 calc R . .
C37 C -0.1589(7) 0.7726(4) 0.8645(4) 0.021(2) Uani 1 1 d . . .
H37 H -0.2198 0.7756 0.8304 0.025 Uiso 1 1 calc R . .
C38 C -0.0594(7) 0.7504(4) 0.8577(4) 0.017(2) Uani 1 1 d . . .
C39 C -0.0464(8) 0.6037(5) 0.6678(5) 0.031(3) Uani 1 1 d . . .
C40 C 0.0019(9) 0.5537(5) 0.6732(5) 0.038(3) Uani 1 1 d . . .
H40 H 0.0560 0.5448 0.7090 0.046 Uiso 1 1 calc R . .
C41 C -0.0271(10) 0.5149(6) 0.6266(7) 0.069(5) Uani 1 1 d . . .
H41 H 0.0063 0.4796 0.6299 0.082 Uiso 1 1 calc R . .
C42 C -0.1060(12) 0.5300(7) 0.5759(7) 0.073(5) Uani 1 1 d . . .
H42 H -0.1255 0.5054 0.5425 0.088 Uiso 1 1 calc R . .
C43 C -0.1568(10) 0.5802(6) 0.5730(6) 0.055(4) Uani 1 1 d . . .
H43 H -0.2132 0.5890 0.5381 0.066 Uiso 1 1 calc R . .
C44 C -0.1817(7) 0.7747(5) 0.7114(4) 0.020(2) Uani 1 1 d . . .
C45 C -0.1840(7) 0.8258(4) 0.7349(5) 0.022(2) Uani 1 1 d . . .
H45 H -0.1435 0.8338 0.7751 0.026 Uiso 1 1 calc R . .
C46 C -0.2467(8) 0.8665(5) 0.6994(5) 0.031(3) Uani 1 1 d . . .
H46 H -0.2489 0.9026 0.7149 0.037 Uiso 1 1 calc R . .
C47 C -0.3047(8) 0.8536(6) 0.6420(5) 0.035(3) Uani 1 1 d . . .
H47 H -0.3494 0.8806 0.6177 0.042 Uiso 1 1 calc R . .
C48 C -0.2986(8) 0.8028(6) 0.6201(5) 0.031(3) Uani 1 1 d . . .
H48 H -0.3383 0.7948 0.5798 0.038 Uiso 1 1 calc R . .
P1 P 0.1310(2) 0.74453(13) 0.13753(12) 0.0250(7) Uani 1 1 d . . .
F1 F 0.1967(4) 0.7589(3) 0.0861(2) 0.0289(15) Uani 1 1 d . . .
F2 F 0.0626(5) 0.8004(3) 0.1208(3) 0.0370(17) Uani 1 1 d . . .
F3 F 0.0394(4) 0.7122(3) 0.0888(3) 0.0371(17) Uani 1 1 d . . .
F4 F 0.0641(4) 0.7313(3) 0.1890(2) 0.0307(15) Uani 1 1 d . . .
F5 F 0.2009(4) 0.6889(3) 0.1540(3) 0.0295(15) Uani 1 1 d . . .
F6 F 0.2215(4) 0.7769(3) 0.1862(3) 0.0313(15) Uani 1 1 d . . .
P2 P 0.2408(2) 0.43335(14) 0.21712(14) 0.0304(7) Uani 1 1 d . . .
F7 F 0.3693(4) 0.4224(3) 0.2231(3) 0.0396(17) Uani 1 1 d . . .
F8 F 0.2278(5) 0.4492(3) 0.1478(3) 0.050(2) Uani 1 1 d . . .
F9 F 0.2666(5) 0.4954(3) 0.2364(4) 0.057(2) Uani 1 1 d . . .
F10 F 0.1114(5) 0.4435(3) 0.2103(3) 0.051(2) Uani 1 1 d . . .
F11 F 0.2146(5) 0.3708(3) 0.1976(3) 0.0468(18) Uani 1 1 d . . .
F12 F 0.2533(5) 0.4171(3) 0.2866(3) 0.048(2) Uani 1 1 d . . .
P3 P 0.7211(3) 0.55025(15) 0.37154(15) 0.0433(9) Uani 1 1 d . . .
F13 F 0.6041(6) 0.5237(4) 0.3451(4) 0.081(3) Uani 1 1 d . . .
F14 F 0.7529(9) 0.5366(5) 0.3099(5) 0.119(4) Uani 1 1 d . . .
F15 F 0.6795(7) 0.6059(4) 0.3427(6) 0.118(4) Uani 1 1 d . . .
F16 F 0.8371(6) 0.5759(4) 0.3980(5) 0.095(3) Uani 1 1 d . . .
F17 F 0.7690(10) 0.4926(5) 0.3894(8) 0.160(6) Uani 1 1 d . . .
F18 F 0.6884(10) 0.5627(10) 0.4294(5) 0.239(11) Uani 1 1 d . . .
P4 P 0.7394(3) 0.51115(15) 0.06675(17) 0.0424(9) Uani 1 1 d . . .
F19 F 0.7048(7) 0.5147(3) 0.1299(3) 0.071(2) Uani 1 1 d . . .
F20 F 0.6758(6) 0.4544(3) 0.0504(3) 0.0513(19) Uani 1 1 d . . .
F21 F 0.8053(6) 0.5681(3) 0.0816(4) 0.066(2) Uani 1 1 d . . .
F22 F 0.7752(8) 0.5078(4) 0.0044(5) 0.091(3) Uani 1 1 d . . .
F23 F 0.6331(6) 0.5440(4) 0.0364(4) 0.072(3) Uani 1 1 d . . .
F24 F 0.8462(7) 0.4795(4) 0.0979(6) 0.125(5) Uani 1 1 d . . .
N13 N 0.5265(8) 0.6689(4) 0.9808(4) 0.042(3) Uani 1 1 d . . .
C49 C 0.6040(10) 0.6610(5) 0.9651(5) 0.036(3) Uani 1 1 d . . .
C50 C 0.7054(12) 0.6489(7) 0.9469(9) 0.084(6) Uani 1 1 d . . .
H50A H 0.7683 0.6594 0.9797 0.126 Uiso 1 1 calc R . .
H50B H 0.7074 0.6696 0.9100 0.126 Uiso 1 1 calc R . .
H50C H 0.7090 0.6095 0.9388 0.126 Uiso 1 1 calc R . .
N14 N 0.0589(10) 0.8704(8) 0.7941(6) 0.088(5) Uani 1 1 d . . .
C51 C 0.0510(11) 0.8908(7) 0.7492(8) 0.061(5) Uani 1 1 d . . .
C52 C 0.0421(12) 0.9190(7) 0.6901(8) 0.069(5) Uani 1 1 d . . .
H52A H 0.1160 0.9281 0.6851 0.104 Uiso 1 1 calc R . .
H52B H -0.0009 0.9527 0.6892 0.104 Uiso 1 1 calc R . .
H52C H 0.0054 0.8947 0.6569 0.104 Uiso 1 1 calc R . .
O1 O 0.7641(11) 0.4268(6) 0.5476(7) 0.120(5) Uiso 1 1 d . . .
C53 C 0.6358(10) 0.4673(6) 0.5968(7) 0.058(4) Uiso 1 1 d . . .
H53A H 0.6366 0.4919 0.5625 0.087 Uiso 1 1 calc R . .
H53B H 0.6331 0.4892 0.6329 0.087 Uiso 1 1 calc R . .
H53C H 0.5709 0.4435 0.5865 0.087 Uiso 1 1 calc R . .
C54 C 0.7397(16) 0.4323(10) 0.6100(10) 0.115(7) Uiso 1 1 d . . .
H54A H 0.8007 0.4508 0.6389 0.138 Uiso 1 1 calc R . .
H54B H 0.7262 0.3960 0.6267 0.138 Uiso 1 1 calc R . .
C55 C 0.8519(12) 0.3857(7) 0.5455(7) 0.066(4) Uiso 1 1 d . . .
H55A H 0.8228 0.3478 0.5453 0.079 Uiso 1 1 calc R . .
H55B H 0.9150 0.3899 0.5810 0.079 Uiso 1 1 calc R . .
C56 C 0.8874(16) 0.3980(9) 0.4849(10) 0.119(7) Uiso 1 1 d . . .
H56A H 0.8761 0.4371 0.4750 0.178 Uiso 1 1 calc R . .
H56B H 0.8428 0.3759 0.4519 0.178 Uiso 1 1 calc R . .
H56C H 0.9654 0.3888 0.4898 0.178 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
O O 0.0106 0.0060 '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
N2 Ru1 N7 178.9(3) . . ?
N2 Ru1 N9 102.3(3) . . ?
N7 Ru1 N9 78.7(3) . . ?
N2 Ru1 N5 78.9(3) . . ?
N7 Ru1 N5 101.6(3) . . ?
N9 Ru1 N5 95.5(3) . . ?
N2 Ru1 N10 99.7(3) . . ?
N7 Ru1 N10 79.4(3) . . ?
N9 Ru1 N10 158.0(3) . . ?
N5 Ru1 N10 87.8(3) . . ?
N2 Ru1 N6 78.3(3) . . ?
N7 Ru1 N6 101.3(3) . . ?
N9 Ru1 N6 88.9(3) . . ?
N5 Ru1 N6 157.2(3) . . ?
N10 Ru1 N6 96.4(3) . . ?
N1 Pt1 N3 82.0(3) . . ?
N1 Pt1 N4 80.4(3) . . ?
N3 Pt1 N4 162.4(3) . . ?
N1 Pt1 Cl1 177.4(2) . . ?
N3 Pt1 Cl1 98.7(2) . . ?
N4 Pt1 Cl1 98.9(2) . . ?
N8 Pt2 N12 81.4(3) . . ?
N8 Pt2 N11 81.7(3) . . ?
N12 Pt2 N11 163.0(3) . . ?
N8 Pt2 Cl2 179.7(3) . . ?
N12 Pt2 Cl2 98.3(2) . . ?
N11 Pt2 Cl2 98.6(2) . . ?
C3 N1 C1 124.7(8) . . ?
C3 N1 Pt1 119.1(7) . . ?
C1 N1 Pt1 116.1(6) . . ?
C2 N2 C4 123.5(8) . . ?
C2 N2 Ru1 117.9(6) . . ?
C4 N2 Ru1 118.5(6) . . ?
C5 N3 C9 115.0(9) . . ?
C5 N3 Pt1 129.9(7) . . ?
C9 N3 Pt1 114.6(6) . . ?
C14 N4 C10 118.9(9) . . ?
C14 N4 Pt1 113.6(7) . . ?
C10 N4 Pt1 127.0(7) . . ?
C19 N5 C15 117.6(8) . . ?
C19 N5 Ru1 127.0(7) . . ?
C15 N5 Ru1 114.4(6) . . ?
C24 N6 C20 118.0(8) . . ?
C24 N6 Ru1 126.0(7) . . ?
C20 N6 Ru1 114.9(6) . . ?
C27 N7 C25 123.8(8) . . ?
C27 N7 Ru1 116.8(6) . . ?
C25 N7 Ru1 119.3(6) . . ?
C26 N8 C28 125.8(8) . . ?
C26 N8 Pt2 118.0(7) . . ?
C28 N8 Pt2 116.1(6) . . ?
C29 N9 C33 117.7(8) . . ?
C29 N9 Ru1 126.4(7) . . ?
C33 N9 Ru1 114.5(6) . . ?
C34 N10 C38 118.3(8) . . ?
C34 N10 Ru1 126.7(6) . . ?
C38 N10 Ru1 113.9(6) . . ?
C43 N11 C39 119.0(11) . . ?
C43 N11 Pt2 127.8(9) . . ?
C39 N11 Pt2 113.1(7) . . ?
C44 N12 C48 117.4(10) . . ?
C44 N12 Pt2 114.8(7) . . ?
C48 N12 Pt2 127.1(7) . . ?
N1 C1 C2 115.1(9) . . ?
N1 C1 C9 113.9(8) . . ?
C2 C1 C9 131.0(9) . . ?
N2 C2 C1 117.2(9) . . ?
N2 C2 C15 113.9(8) . . ?
C1 C2 C15 128.5(9) . . ?
N1 C3 C4 117.3(9) . . ?
N1 C3 C14 110.7(8) . . ?
C4 C3 C14 131.6(9) . . ?
N2 C4 C3 117.2(9) . . ?
N2 C4 C20 112.0(8) . . ?
C3 C4 C20 130.7(9) . . ?
N3 C5 C6 123.7(10) . . ?
C5 C6 C7 119.7(10) . . ?
C8 C7 C6 117.6(11) . . ?
C9 C8 C7 120.6(10) . . ?
C8 C9 N3 123.1(9) . . ?
C8 C9 C1 125.2(9) . . ?
N3 C9 C1 111.4(9) . . ?
N4 C10 C11 122.9(10) . . ?
C10 C11 C12 118.6(10) . . ?
C13 C12 C11 119.4(11) . . ?
C12 C13 C14 119.5(9) . . ?
N4 C14 C13 120.5(9) . . ?
N4 C14 C3 115.5(9) . . ?
C13 C14 C3 123.8(9) . . ?
N5 C15 C16 120.3(8) . . ?
N5 C15 C2 113.7(8) . . ?
C16 C15 C2 125.6(9) . . ?
C17 C16 C15 120.3(9) . . ?
C16 C17 C18 119.9(10) . . ?
C17 C18 C19 118.9(9) . . ?
N5 C19 C18 123.0(9) . . ?
N6 C20 C21 123.1(8) . . ?
N6 C20 C4 113.9(8) . . ?
C21 C20 C4 122.4(8) . . ?
C20 C21 C22 117.8(9) . . ?
C21 C22 C23 118.6(9) . . ?
C24 C23 C22 119.0(9) . . ?
N6 C24 C23 123.3(9) . . ?
N7 C25 C26 116.2(8) . . ?
N7 C25 C33 112.0(8) . . ?
C26 C25 C33 131.7(9) . . ?
N8 C26 C25 117.1(9) . . ?
N8 C26 C39 112.6(8) . . ?
C25 C26 C39 130.3(9) . . ?
N7 C27 C28 117.5(9) . . ?
N7 C27 C38 113.4(8) . . ?
C28 C27 C38 128.8(9) . . ?
N8 C28 C27 115.3(9) . . ?
N8 C28 C44 113.8(8) . . ?
C27 C28 C44 130.5(9) . . ?
N9 C29 C30 123.2(9) . . ?
C29 C30 C31 119.1(9) . . ?
C32 C31 C30 118.8(10) . . ?
C31 C32 C33 119.6(9) . . ?
N9 C33 C32 121.7(8) . . ?
N9 C33 C25 114.4(8) . . ?
C32 C33 C25 123.8(9) . . ?
N10 C34 C35 121.9(9) . . ?
C36 C35 C34 119.7(9) . . ?
C37 C36 C35 119.4(9) . . ?
C36 C37 C38 119.2(9) . . ?
N10 C38 C37 121.4(8) . . ?
N10 C38 C27 114.3(8) . . ?
C37 C38 C27 123.9(8) . . ?
C40 C39 N11 120.4(10) . . ?
C40 C39 C26 126.1(10) . . ?
N11 C39 C26 113.4(10) . . ?
C39 C40 C41 120.7(12) . . ?
C42 C41 C40 117.1(13) . . ?
C43 C42 C41 120.8(13) . . ?
N11 C43 C42 121.9(12) . . ?
C45 C44 N12 122.0(9) . . ?
C45 C44 C28 125.0(9) . . ?
N12 C44 C28 112.7(9) . . ?
C44 C45 C46 119.1(10) . . ?
C47 C46 C45 119.1(11) . . ?
C48 C47 C46 119.8(11) . . ?
C47 C48 N12 122.5(10) . . ?
F6 P1 F3 179.6(4) . . ?
F6 P1 F2 89.8(4) . . ?
F3 P1 F2 90.0(4) . . ?
F6 P1 F1 89.5(3) . . ?
F3 P1 F1 90.8(3) . . ?
F2 P1 F1 88.7(3) . . ?
F6 P1 F5 89.9(3) . . ?
F3 P1 F5 90.3(4) . . ?
F2 P1 F5 179.3(4) . . ?
F1 P1 F5 90.7(3) . . ?
F6 P1 F4 90.2(3) . . ?
F3 P1 F4 89.5(3) . . ?
F2 P1 F4 90.2(3) . . ?
F1 P1 F4 178.8(4) . . ?
F5 P1 F4 90.5(3) . . ?
F8 P2 F9 90.4(4) . . ?
F8 P2 F12 179.6(5) . . ?
F9 P2 F12 90.0(4) . . ?
F8 P2 F11 89.6(4) . . ?
F9 P2 F11 179.9(5) . . ?
F12 P2 F11 90.1(4) . . ?
F8 P2 F7 89.7(3) . . ?
F9 P2 F7 90.1(4) . . ?
F12 P2 F7 90.5(3) . . ?
F11 P2 F7 90.0(4) . . ?
F8 P2 F10 89.9(4) . . ?
F9 P2 F10 90.8(4) . . ?
F12 P2 F10 89.9(4) . . ?
F11 P2 F10 89.1(4) . . ?
F7 P2 F10 179.0(5) . . ?
F18 P3 F15 93.3(11) . . ?
F18 P3 F17 97.2(11) . . ?
F15 P3 F17 169.5(9) . . ?
F18 P3 F16 90.1(6) . . ?
F15 P3 F16 90.1(5) . . ?
F17 P3 F16 89.8(6) . . ?
F18 P3 F14 178.7(7) . . ?
F15 P3 F14 86.7(7) . . ?
F17 P3 F14 82.9(8) . . ?
F16 P3 F14 91.2(6) . . ?
F18 P3 F13 89.9(6) . . ?
F15 P3 F13 90.5(5) . . ?
F17 P3 F13 89.6(6) . . ?
F16 P3 F13 179.4(6) . . ?
F14 P3 F13 88.9(5) . . ?
F24 P4 F23 178.7(6) . . ?
F24 P4 F22 89.2(7) . . ?
F23 P4 F22 91.4(6) . . ?
F24 P4 F19 90.2(6) . . ?
F23 P4 F19 89.2(5) . . ?
F22 P4 F19 179.3(6) . . ?
F24 P4 F20 90.2(5) . . ?
F23 P4 F20 91.0(4) . . ?
F22 P4 F20 88.7(4) . . ?
F19 P4 F20 91.8(4) . . ?
F24 P4 F21 89.4(5) . . ?
F23 P4 F21 89.4(5) . . ?
F22 P4 F21 89.6(4) . . ?
F19 P4 F21 89.9(4) . . ?
F20 P4 F21 178.3(4) . . ?
N13 C49 C50 177.4(15) . . ?
N14 C51 C52 178.7(19) . . ?
C55 O1 C54 113.4(14) . . ?
O1 C54 C53 102.3(15) . . ?
O1 C55 C56 104.9(14) . . ?
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
Ru1 N2 1.982(8) . ?
Ru1 N7 1.986(8) . ?
Ru1 N9 2.070(8) . ?
Ru1 N5 2.072(8) . ?
Ru1 N10 2.083(7) . ?
Ru1 N6 2.086(8) . ?
Pt1 N1 1.923(8) . ?
Pt1 N3 1.982(8) . ?
Pt1 N4 1.999(9) . ?
Pt1 Cl1 2.291(2) . ?
Pt2 N8 1.928(7) . ?
Pt2 N12 1.987(9) . ?
Pt2 N11 2.006(10) . ?
Pt2 Cl2 2.294(2) . ?
N1 C3 1.339(12) . ?
N1 C1 1.367(12) . ?
N2 C2 1.347(12) . ?
N2 C4 1.365(12) . ?
N3 C5 1.340(13) . ?
N3 C9 1.406(12) . ?
N4 C14 1.347(12) . ?
N4 C10 1.354(13) . ?
N5 C19 1.343(12) . ?
N5 C15 1.368(12) . ?
N6 C24 1.327(12) . ?
N6 C20 1.358(12) . ?
N7 C27 1.361(12) . ?
N7 C25 1.364(12) . ?
N8 C26 1.337(12) . ?
N8 C28 1.351(12) . ?
N9 C29 1.331(11) . ?
N9 C33 1.378(12) . ?
N10 C34 1.335(11) . ?
N10 C38 1.358(11) . ?
N11 C43 1.314(14) . ?
N11 C39 1.393(13) . ?
N12 C44 1.361(12) . ?
N12 C48 1.370(13) . ?
C1 C2 1.429(13) . ?
C1 C9 1.476(14) . ?
C2 C15 1.467(13) . ?
C3 C4 1.396(12) . ?
C3 C14 1.471(14) . ?
C4 C20 1.486(12) . ?
C5 C6 1.383(15) . ?
C6 C7 1.386(14) . ?
C7 C8 1.377(14) . ?
C8 C9 1.347(14) . ?
C10 C11 1.365(15) . ?
C11 C12 1.386(14) . ?
C12 C13 1.373(14) . ?
C13 C14 1.406(14) . ?
C15 C16 1.392(13) . ?
C16 C17 1.350(13) . ?
C17 C18 1.355(14) . ?
C18 C19 1.376(14) . ?
C20 C21 1.381(13) . ?
C21 C22 1.402(13) . ?
C22 C23 1.402(13) . ?
C23 C24 1.367(14) . ?
C25 C26 1.401(12) . ?
C25 C33 1.479(12) . ?
C26 C39 1.497(14) . ?
C27 C28 1.414(13) . ?
C27 C38 1.479(13) . ?
C28 C44 1.473(14) . ?
C29 C30 1.373(14) . ?
C30 C31 1.391(14) . ?
C31 C32 1.375(13) . ?
C32 C33 1.378(13) . ?
C34 C35 1.379(13) . ?
C35 C36 1.367(14) . ?
C36 C37 1.357(13) . ?
C37 C38 1.394(13) . ?
C39 C40 1.353(16) . ?
C40 C41 1.398(16) . ?
C41 C42 1.376(19) . ?
C42 C43 1.373(19) . ?
C44 C45 1.357(14) . ?
C45 C46 1.394(14) . ?
C46 C47 1.366(15) . ?
C47 C48 1.341(16) . ?
P1 F6 1.590(6) . ?
P1 F3 1.599(6) . ?
P1 F2 1.605(7) . ?
P1 F1 1.608(6) . ?
P1 F5 1.609(7) . ?
P1 F4 1.614(6) . ?
P2 F8 1.584(7) . ?
P2 F9 1.586(8) . ?
P2 F12 1.589(7) . ?
P2 F11 1.600(8) . ?
P2 F7 1.600(6) . ?
P2 F10 1.606(7) . ?
P3 F18 1.488(10) . ?
P3 F15 1.541(10) . ?
P3 F17 1.544(12) . ?
P3 F16 1.562(8) . ?
P3 F14 1.569(10) . ?
P3 F13 1.582(8) . ?
P4 F24 1.559(9) . ?
P4 F23 1.565(8) . ?
P4 F22 1.575(9) . ?
P4 F19 1.585(8) . ?
P4 F20 1.595(8) . ?
P4 F21 1.608(8) . ?
N13 C49 1.121(13) . ?
C49 C50 1.448(18) . ?
N14 C51 1.11(2) . ?
C51 C52 1.48(2) . ?
O1 C55 1.494(18) . ?
O1 C54 1.52(2) . ?
C53 C54 1.52(2) . ?
C55 C56 1.56(2) . ?
