#------------------------------------------------------------------------------
#$Date: 2019-11-23 08:25:44 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232553 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/78/4347871.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_4347871
loop_
_publ_author_name
'Uemura, Kazuhiro'
'Uesugi, Naoyuki'
'Matsuyama, Akina'
'Ebihara, Masahiro'
'Yoshikawa, Hirofumi'
'Awaga, Kunio'
_publ_section_title
;
 Integration of Paramagnetic Diruthenium Complexes into an Extended Chain
 by Heterometallic Metal-Metal Bonds with Diplatinum Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7003
_journal_page_last               7011
_journal_paper_doi               10.1021/acs.inorgchem.6b00741
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C84 H228 F78 N38 O42 P13 Pt12 Ru9'
_chemical_formula_weight         7578.36
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   21.404(5)
_cell_length_b                   21.404(5)
_cell_length_c                   35.979(8)
_cell_measurement_reflns_used    12352
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.1630
_cell_measurement_theta_min      1.5773
_cell_volume                     14275(6)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        CRYSTALCLEAR
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.2017
_diffrn_reflns_av_sigmaI/netI    0.1046
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            97760
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    6.486
_exptl_absorpt_correction_T_max  0.8812
_exptl_absorpt_correction_T_min  0.2464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7126
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.02
_refine_diff_density_max         6.773
_refine_diff_density_min         -2.258
_refine_diff_density_rms         0.386
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         5998
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.991
_refine_ls_R_factor_all          0.3256
_refine_ls_R_factor_gt           0.2496
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4270
_refine_ls_wR_factor_ref         0.4557
_reflns_number_gt                3389
_reflns_number_total             5998
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00741_si_005.cif
_cod_data_source_block           Green
_cod_original_cell_volume        14275(5)
_cod_database_code               4347871
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, x, z+1/2'
'y, -x+y, z+1/2'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-y, -x, -z+1/2'
'x, x-y, -z+1/2'
'-x+y, y, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, -x, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
'y, x, z-1/2'
'-x, -x+y, z-1/2'
'x-y, -y, 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
Pt1 Pt 0.54352(4) 0.08705(8) 0.40172(5) 0.0846(7) Uani 1 2 d S
Pt2 Pt 0.54918(5) 0.09836(9) 0.32059(6) 0.0998(8) Uani 1 2 d S
Ru1 Ru 0.51117(8) 0.02233(17) 0.47081(10) 0.0869(12) Uani 1 2 d S
O3 O 0.4604(6) -0.0793(13) 0.4517(7) 0.086(8) Uani 1 2 d SD
O4 O 0.5618(6) 0.1236(12) 0.4905(7) 0.082(7) Uani 1 2 d S
N3 N 0.5741(15) 0.0151(12) 0.3880(10) 0.124(11) Uani 1 1 d .
H10 H 0.5821 -0.0054 0.4064 0.149 Uiso 1 1 calc RD
N1 N 0.6450(12) 0.1582(10) 0.4196(6) 0.097(7) Uani 1 1 d .
H11 H 0.6770 0.1598 0.4033 0.146 Uiso 1 1 calc R
H12 H 0.6526 0.1440 0.4416 0.146 Uiso 1 1 calc R
H13 H 0.6499 0.2018 0.4218 0.146 Uiso 1 1 calc R
O2 O 0.4178(11) 0.0240(10) 0.4730(6) 0.104(6) Uani 1 1 d D
C3 C 0.523(2) -0.128(2) 0.3460(13) 0.176(17) Uiso 1 1 d .
H1 H 0.5245 -0.1722 0.3462 0.265 Uiso 1 1 calc R
H2 H 0.5072 -0.1217 0.3220 0.265 Uiso 1 1 calc R
H3 H 0.4893 -0.1308 0.3646 0.265 Uiso 1 1 calc R
C8 C 0.4348(13) -0.130(3) 0.4736(17) 0.106(14) Uiso 1 2 d S
C1 C 0.583(2) -0.0044(14) 0.3561(10) 0.099(10) Uani 1 1 d .
C4 C 0.635(2) -0.073(2) 0.3822(13) 0.177(17) Uiso 1 1 d .
H4 H 0.6813 -0.0296 0.3845 0.266 Uiso 1 1 calc R
H5 H 0.6426 -0.1127 0.3767 0.266 Uiso 1 1 calc R
H6 H 0.6092 -0.0821 0.4051 0.266 Uiso 1 1 calc RD
C6 C 0.380(2) 0.0000 0.5000 0.111(16) Uiso 1 2 d S
C7 C 0.306(2) 0.0000 0.5000 0.16(2) Uiso 1 2 d S
H17 H 0.2708 -0.0408 0.5138 0.237 Uiso 0.50 1 calc PRD
H18 H 0.2898 -0.0028 0.4749 0.237 Uiso 0.50 1 calc PR
H19 H 0.3131 0.0436 0.5113 0.237 Uiso 0.50 1 calc PR
C2 C 0.597(2) -0.065(2) 0.3544(10) 0.119(11) Uiso 1 1 d .
C9 C 0.3962(19) -0.208(4) 0.4520(18) 0.19(3) Uiso 1 2 d S
H20 H 0.4324 -0.2176 0.4429 0.287 Uiso 0.50 1 calc PR
H21 H 0.3684 -0.2057 0.4316 0.287 Uiso 0.50 1 calc PRD
H22 H 0.3650 -0.2450 0.4689 0.287 Uiso 0.50 1 calc PR
O1 O 0.5773(15) 0.0205(14) 0.3274(8) 0.135(9) Uani 1 1 d .
N2 N 0.6509(12) 0.1759(14) 0.3103(7) 0.123(9) Uani 1 1 d .
H14 H 0.6800 0.1748 0.3277 0.185 Uiso 1 1 calc R
H15 H 0.6535 0.2187 0.3107 0.185 Uiso 1 1 calc R
H16 H 0.6644 0.1687 0.2881 0.185 Uiso 1 1 calc R
C5 C 0.640(2) -0.057(2) 0.3210(14) 0.192(19) Uiso 1 1 d .
H7 H 0.6503 -0.0964 0.3200 0.289 Uiso 1 1 calc R
H8 H 0.6850 -0.0123 0.3220 0.289 Uiso 1 1 calc R
H9 H 0.6140 -0.0583 0.2992 0.289 Uiso 1 1 calc R
Ru2 Ru 0.7004(3) 0.4008(5) 0.7500 0.231(5) Uiso 1 4 d S
F2 F 0.7954(12) 0.2046(12) 0.4688(8) 0.31(3) Uiso 1 2 d SD
F4 F 0.7691(12) 0.2309(12) 0.5527(8) 0.33(3) Uiso 1 2 d SD
F1 F 0.8564(9) 0.2918(8) 0.5117(8) 0.307(17) Uiso 1 1 d D
F5 F 0.8236(7) 0.1764(7) 0.5234(13) 0.32(3) Uiso 1 2 d SD
F3 F 0.7415(7) 0.2585(7) 0.4978(13) 0.33(3) Uiso 1 2 d SD
P3 P 0.6667 0.3333 0.2500 0.090(8) Uiso 1 12 d S
P1 P 0.7828(6) 0.2172(6) 0.5104(7) 0.231(11) Uiso 1 2 d SD
F10 F 0.6667 0.3333 0.2966(13) 0.127(15) Uiso 1 6 d S
F11 F 0.7079(13) 0.2921(13) 0.2500 0.112(16) Uiso 0.67 4 d SP
P2 P 0.8239(8) 0.1761(8) 0.3656(7) 0.267(14) Uiso 1 2 d SD
F6 F 0.8799(16) 0.2282(17) 0.3960(9) 0.34(2) Uiso 1 1 d D
F7 F 0.7809(8) 0.2191(8) 0.3690(11) 0.220(18) Uiso 1 2 d SD
F8 F 0.8669(9) 0.1331(9) 0.3631(16) 0.50(6) Uiso 1 2 d SD
F9 F 0.7680(19) 0.1241(19) 0.3357(12) 0.53(4) Uiso 1 1 d D
F12 F 0.623(2) 0.246(4) 0.2500 0.20(3) Uiso 0.67 4 d SP
N4 N 0.6667 0.3333 0.3768(11) 0.044(10) Uiso 1 6 d S
O5 O 0.7002(7) 0.2998(7) 0.3706(8) 0.100(8) Uiso 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 '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'
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'
C C 0.0033 0.0016 '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'
F F 0.0171 0.0103 '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'
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
N3 Pt1 N3 90.1(15) . 19_655
N3 Pt1 N1 90.9(10) . .
N3 Pt1 N1 175.8(12) 19_655 .
N3 Pt1 N1 175.8(12) . 19_655
N3 Pt1 N1 90.9(10) 19_655 19_655
N1 Pt1 N1 87.8(13) . 19_655
N3 Pt1 Ru1 86.2(10) . .
N3 Pt1 Ru1 86.2(10) 19_655 .
N1 Pt1 Ru1 89.8(6) . .
N1 Pt1 Ru1 89.8(6) 19_655 .
N3 Pt1 Pt2 78.6(10) . .
N3 Pt1 Pt2 78.6(10) 19_655 .
N1 Pt1 Pt2 105.6(6) . .
N1 Pt1 Pt2 105.6(6) 19_655 .
Ru1 Pt1 Pt2 158.35(10) . .
N2 Pt2 N2 84.4(16) . 19_655
N2 Pt2 O1 175.9(11) . 19_655
N2 Pt2 O1 93.3(12) 19_655 19_655
N2 Pt2 O1 93.3(12) . .
N2 Pt2 O1 175.9(11) 19_655 .
O1 Pt2 O1 88.8(15) 19_655 .
N2 Pt2 Pt1 103.6(8) . .
N2 Pt2 Pt1 103.6(8) 19_655 .
O1 Pt2 Pt1 80.3(7) 19_655 .
O1 Pt2 Pt1 80.3(7) . .
O3 Ru1 O4 179.4(10) . .
O3 Ru1 O2 91.6(6) . .
O4 Ru1 O2 88.4(6) . .
O3 Ru1 O2 91.6(6) . 19_655
O4 Ru1 O2 88.4(6) . 19_655
O2 Ru1 O2 175.2(13) . 19_655
O3 Ru1 Ru1 88.6(7) . 13_656
O4 Ru1 Ru1 90.8(7) . 13_656
O2 Ru1 Ru1 88.2(6) . 13_656
O2 Ru1 Ru1 88.2(6) 19_655 13_656
O3 Ru1 Pt1 95.7(7) . .
O4 Ru1 Pt1 84.9(7) . .
O2 Ru1 Pt1 91.6(6) . .
O2 Ru1 Pt1 91.6(6) 19_655 .
Ru1 Ru1 Pt1 175.8(2) 13_656 .
C8 O3 Ru1 120(3) . .
C8 O4 Ru1 116(3) 13_656 .
C1 N3 Pt1 130(3) . .
C6 O2 Ru1 119(3) . .
O3 C8 O4 124(4) . 13_656
O3 C8 C9 112(5) . .
O4 C8 C9 124(5) 13_656 .
O1 C1 N3 124(3) . .
O1 C1 C2 118(3) . .
N3 C1 C2 118(3) . .
O2 C6 O2 126(5) 7_556 .
O2 C6 C7 117(3) 7_556 .
O2 C6 C7 117(3) . .
C4 C2 C1 119(4) . .
C4 C2 C5 103(4) . .
C1 C2 C5 109(3) . .
C4 C2 C3 118(4) . .
C1 C2 C3 102(3) . .
C5 C2 C3 105(3) . .
C1 O1 Pt2 127(2) . .
Ru2 Ru2 Ru2 60.0 3_655 4_665
F11 P3 F11 120.001(14) . 3_655
F11 P3 F11 120.0 . 4_665
F11 P3 F11 120.000(12) 3_655 4_665
F11 P3 F12 60.000(7) . .
F11 P3 F12 179.999(5) 3_655 .
F11 P3 F12 59.999(3) 4_665 .
F11 P3 F12 59.999(3) . 3_655
F11 P3 F12 60.002(12) 3_655 3_655
F11 P3 F12 179.998(9) 4_665 3_655
F12 P3 F12 119.999(1) . 3_655
F11 P3 F12 180.0(16) . 4_665
F11 P3 F12 60.001(8) 3_655 4_665
F11 P3 F12 60.000(5) 4_665 4_665
F12 P3 F12 119.999(4) . 4_665
F12 P3 F12 120.002(11) 3_655 4_665
F11 P3 F10 90.002(1) . 14_556
F11 P3 F10 89.998(4) 3_655 14_556
F11 P3 F10 90.000(4) 4_665 14_556
F12 P3 F10 90.002(4) . 14_556
F12 P3 F10 90.000(4) 3_655 14_556
F12 P3 F10 89.998(1) 4_665 14_556
F11 P3 F10 90.000(1) . .
F11 P3 F10 90.000(3) 3_655 .
F11 P3 F10 90.000(4) 4_665 .
F12 P3 F10 90.000(3) . .
F12 P3 F10 90.000(4) 3_655 .
F12 P3 F10 90.000(1) 4_665 .
F10 P3 F10 179.998(3) 14_556 .
F2 P1 F5 89.9(11) . .
F2 P1 F1 91.8(8) . 21_665
F5 P1 F1 90.1(8) . 21_665
F2 P1 F1 91.8(8) . .
F5 P1 F1 90.1(8) . .
F1 P1 F1 176.4(17) 21_665 .
F2 P1 F3 90.9(11) . .
F5 P1 F3 179.2(14) . .
F1 P1 F3 89.8(8) 21_665 .
F1 P1 F3 89.8(8) . .
F2 P1 F4 178.9(14) . .
F5 P1 F4 91.2(11) . .
F1 P1 F4 88.2(8) 21_665 .
F1 P1 F4 88.2(8) . .
F3 P1 F4 88.0(11) . .
P3 F11 F12 63(3) . 3_655
P3 F11 F12 63(3) . .
F12 F11 F12 125(6) 3_655 .
F9 P2 F9 94(3) 21_665 .
F9 P2 F6 86(3) 21_665 .
F9 P2 F6 179.6(16) . .
F9 P2 F6 179.6(16) 21_665 21_665
F9 P2 F6 86(3) . 21_665
F6 P2 F6 93(3) . 21_665
F9 P2 F7 90.4(10) 21_665 .
F9 P2 F7 90.4(10) . .
F6 P2 F7 89.7(10) . .
F6 P2 F7 89.7(10) 21_665 .
F9 P2 F8 90.4(10) 21_665 .
F9 P2 F8 90.4(10) . .
F6 P2 F8 89.6(10) . .
F6 P2 F8 89.6(10) 21_665 .
F7 P2 F8 178.9(14) . .
F11 F12 F11 115(6) . 4_665
F11 F12 P3 57(3) . .
F11 F12 P3 57(3) 4_665 .
O5 N4 O5 117.0(13) 4_665 .
O5 N4 O5 117.0(13) 4_665 3_655
O5 N4 O5 117.0(13) . 3_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N3 2.01(2) .
Pt1 N3 2.01(2) 19_655
Pt1 N1 2.04(2) .
Pt1 N1 2.04(2) 19_655
Pt1 Ru1 2.760(4) .
Pt1 Pt2 2.926(3) .
Pt2 N2 2.00(2) .
Pt2 N2 2.00(2) 19_655
Pt2 O1 2.05(2) 19_655
Pt2 O1 2.05(2) .
Ru1 O3 2.01(3) .
Ru1 O4 2.01(3) .
Ru1 O2 2.018(19) .
Ru1 O2 2.019(19) 19_655
Ru1 Ru1 2.257(7) 13_656
O3 C8 1.23(5) .
O4 C8 1.30(6) 13_656
N3 C1 1.27(4) .
O2 C6 1.20(3) .
C3 C2 1.52(5) .
C8 O4 1.30(6) 13_656
C8 C9 1.63(7) .
C1 O1 1.20(3) .
C1 C2 1.47(5) .
C4 C2 1.36(5) .
C6 O2 1.20(3) 7_556
C6 C7 1.59(6) .
C2 C5 1.47(5) .
Ru2 Ru2 2.166(18) 3_655
Ru2 Ru2 2.166(18) 4_665
F2 P1 1.566(17) .
F4 P1 1.604(17) .
F1 P1 1.587(12) .
F5 P1 1.582(16) .
F3 P1 1.596(17) .
P3 F11 1.53(5) .
P3 F11 1.53(5) 3_655
P3 F11 1.53(5) 4_665
P3 F12 1.61(8) .
P3 F12 1.61(8) 3_655
P3 F12 1.61(8) 4_665
P3 F10 1.68(5) 14_556
P3 F10 1.68(5) .
P1 F1 1.587(12) 21_665
F11 F12 1.57(4) 3_655
F11 F12 1.57(4) .
P2 F9 1.581(17) 21_665
P2 F9 1.581(16) .
P2 F6 1.593(16) .
P2 F6 1.593(16) 21_665
P2 F7 1.596(17) .
P2 F8 1.598(18) .
F12 F11 1.57(4) 4_665
N4 O5 1.26(3) 4_665
N4 O5 1.26(3) .
N4 O5 1.26(3) 3_655
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_4
N3 Pt1 Pt2 N2 -90.0(12) . .
N3 Pt1 Pt2 N2 177.5(11) 19_655 .
N1 Pt1 Pt2 N2 -2.3(10) . .
N1 Pt1 Pt2 N2 89.8(11) 19_655 .
Ru1 Pt1 Pt2 N2 -136.3(8) . .
N3 Pt1 Pt2 N2 -177.5(11) . 19_655
N3 Pt1 Pt2 N2 90.0(12) 19_655 19_655
N1 Pt1 Pt2 N2 -89.8(11) . 19_655
N1 Pt1 Pt2 N2 2.3(10) 19_655 19_655
Ru1 Pt1 Pt2 N2 136.3(9) . 19_655
N3 Pt1 Pt2 O1 91.5(12) . 19_655
N3 Pt1 Pt2 O1 -1.0(10) 19_655 19_655
N1 Pt1 Pt2 O1 179.2(10) . 19_655
N1 Pt1 Pt2 O1 -88.7(10) 19_655 19_655
Ru1 Pt1 Pt2 O1 45.2(8) . 19_655
N3 Pt1 Pt2 O1 1.0(10) . .
N3 Pt1 Pt2 O1 -91.5(12) 19_655 .
N1 Pt1 Pt2 O1 88.7(10) . .
N1 Pt1 Pt2 O1 -179.2(10) 19_655 .
Ru1 Pt1 Pt2 O1 -45.2(8) . .
N3 Pt1 Ru1 O3 -45.2(8) . .
N3 Pt1 Ru1 O3 45.2(8) 19_655 .
N1 Pt1 Ru1 O3 -136.1(6) . .
N1 Pt1 Ru1 O3 136.1(6) 19_655 .
Pt2 Pt1 Ru1 O3 0.000(2) . .
N3 Pt1 Ru1 O4 134.8(8) . .
N3 Pt1 Ru1 O4 -134.8(8) 19_655 .
N1 Pt1 Ru1 O4 43.9(6) . .
N1 Pt1 Ru1 O4 -43.9(6) 19_655 .
Pt2 Pt1 Ru1 O4 180.000(2) . .
N3 Pt1 Ru1 O2 -136.9(10) . .
N3 Pt1 Ru1 O2 -46.6(10) 19_655 .
N1 Pt1 Ru1 O2 132.2(8) . .
N1 Pt1 Ru1 O2 44.4(9) 19_655 .
Pt2 Pt1 Ru1 O2 -91.7(6) . .
N3 Pt1 Ru1 O2 46.6(10) . 19_655
N3 Pt1 Ru1 O2 136.9(10) 19_655 19_655
N1 Pt1 Ru1 O2 -44.4(9) . 19_655
N1 Pt1 Ru1 O2 -132.1(8) 19_655 19_655
Pt2 Pt1 Ru1 O2 91.7(6) . 19_655
N3 Pt1 Ru1 Ru1 134.8(8) . 13_656
N3 Pt1 Ru1 Ru1 -134.8(8) 19_655 13_656
N1 Pt1 Ru1 Ru1 43.9(6) . 13_656
N1 Pt1 Ru1 Ru1 -43.9(6) 19_655 13_656
Pt2 Pt1 Ru1 Ru1 -179.99(7) . 13_656
O4 Ru1 O3 C8 0(5) . .
O2 Ru1 O3 C8 -88.2(6) . .
O2 Ru1 O3 C8 88.2(6) 19_655 .
Ru1 Ru1 O3 C8 0.000(5) 13_656 .
Pt1 Ru1 O3 C8 180.000(5) . .
O3 Ru1 O4 C8 0(5) . 13_656
O2 Ru1 O4 C8 88.2(6) . 13_656
O2 Ru1 O4 C8 -88.2(6) 19_655 13_656
Ru1 Ru1 O4 C8 0.000(8) 13_656 13_656
Pt1 Ru1 O4 C8 180.000(9) . 13_656
N3 Pt1 N3 C1 76(3) 19_655 .
N1 Pt1 N3 C1 -108(3) . .
N1 Pt1 N3 C1 180(100) 19_655 .
Ru1 Pt1 N3 C1 162(3) . .
Pt2 Pt1 N3 C1 -2(3) . .
O3 Ru1 O2 C6 84.6(16) . .
O4 Ru1 O2 C6 -94.8(16) . .
O2 Ru1 O2 C6 -47(14) 19_655 .
Ru1 Ru1 O2 C6 -4.0(14) 13_656 .
Pt1 Ru1 O2 C6 -179.7(14) . .
Ru1 O3 C8 O4 0.000(11) . 13_656
Ru1 O3 C8 C9 180.000(3) . .
Pt1 N3 C1 O1 3(6) . .
Pt1 N3 C1 C2 -173(2) . .
Ru1 O2 C6 O2 2.0(7) . 7_556
Ru1 O2 C6 C7 -178.0(7) . .
O1 C1 C2 C4 150(4) . .
N3 C1 C2 C4 -34(5) . .
O1 C1 C2 C5 32(5) . .
N3 C1 C2 C5 -152(3) . .
O1 C1 C2 C3 -79(4) . .
N3 C1 C2 C3 97(4) . .
N3 C1 O1 Pt2 -1(6) . .
C2 C1 O1 Pt2 174(2) . .
N2 Pt2 O1 C1 103(3) . .
N2 Pt2 O1 C1 159(14) 19_655 .
O1 Pt2 O1 C1 -81(3) 19_655 .
Pt1 Pt2 O1 C1 0(3) . .
F11 P3 F11 F12 0.0 3_655 3_655
F11 P3 F11 F12 180.0 4_665 3_655
F12 P3 F11 F12 180.0 . 3_655
F12 P3 F11 F12 180.0 4_665 3_655
F10 P3 F11 F12 89.999(2) 14_556 3_655
F10 P3 F11 F12 -90.000(2) . 3_655
F11 P3 F11 F12 180.0 3_655 .
F11 P3 F11 F12 0.0 4_665 .
F12 P3 F11 F12 180.0 3_655 .
F12 P3 F11 F12 0.0 4_665 .
F10 P3 F11 F12 -90.001(3) 14_556 .
F10 P3 F11 F12 90.000(2) . .
P3 F11 F12 F11 0.0 . 4_665
F12 F11 F12 F11 0.0 3_655 4_665
F12 F11 F12 P3 0.0 3_655 .
F11 P3 F12 F11 180(100) 3_655 .
F11 P3 F12 F11 180.0 4_665 .
F12 P3 F12 F11 0.0 3_655 .
F12 P3 F12 F11 180.0 4_665 .
F10 P3 F12 F11 90.001(2) 14_556 .
F10 P3 F12 F11 -90.0 . .
F11 P3 F12 F11 180.0 . 4_665
F11 P3 F12 F11 0(100) 3_655 4_665
F12 P3 F12 F11 180.0 3_655 4_665
F12 P3 F12 F11 0.0 4_665 4_665
F10 P3 F12 F11 -89.999(2) 14_556 4_665
F10 P3 F12 F11 90.000(2) . 4_665
