#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:58:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179087 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/49/4304916.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_4304916
loop_
_publ_author_name
'Wai-Man Cheung'
'Ho-Yuen Ng'
'Ian D. Williams'
'Wa-Hung Leung'
_publ_section_title
;
Ruthenium Complexes with Tetraphenylimidodiphosphinate: Syntheses,
Structures, and Applications to Catalytic Organic Oxidation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4383
_journal_page_last               4391
_journal_paper_doi               10.1021/ic800018d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C100 H80 Cl2 K2 N4 O12 P8 Ru2'
_chemical_formula_weight         2128.68
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.3510(10)
_cell_angle_beta                 104.0480(10)
_cell_angle_gamma                110.5510(10)
_cell_formula_units_Z            1
_cell_length_a                   11.6657(6)
_cell_length_b                   14.1758(7)
_cell_length_c                   16.6971(8)
_cell_measurement_reflns_used    8466
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.40
_cell_measurement_theta_min      2.25
_cell_volume                     2399.1(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.731
_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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21811
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.36
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    0.654
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.966
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         10579
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0425P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                8811
_reflns_number_total             10579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800018d-file004.cif
_cod_data_source_block           wai60
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4304916
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
Ru1 Ru 0.269489(18) 0.177768(14) 0.188015(12) 0.01020(6) Uani 1 1 d . . .
K1 K 0.59947(6) 0.59758(4) 0.61581(3) 0.02029(12) Uani 1 1 d . . .
Cl1 Cl 0.13153(6) 0.21495(5) 0.26108(4) 0.01959(13) Uani 1 1 d . . .
P1 P 0.43071(6) 0.40677(5) 0.16153(4) 0.01210(12) Uani 1 1 d . . .
P2 P 0.45555(6) 0.22735(5) 0.07516(4) 0.01184(12) Uani 1 1 d . . .
P3 P 0.43948(6) 0.16067(5) 0.38028(4) 0.01181(12) Uani 1 1 d . . .
P4 P 0.64061(6) 0.34718(5) 0.51532(4) 0.01378(13) Uani 1 1 d . . .
O1 O 0.35785(16) 0.34457(12) 0.21285(10) 0.0139(3) Uani 1 1 d . . .
O2 O 0.41246(16) 0.16515(12) 0.13688(10) 0.0136(3) Uani 1 1 d . . .
O3 O 0.40967(16) 0.21246(12) 0.31008(10) 0.0146(3) Uani 1 1 d . . .
O4 O 0.62103(17) 0.44611(13) 0.51246(11) 0.0184(4) Uani 1 1 d . . .
O10 O 0.05948(18) 0.12717(15) 0.02177(12) 0.0244(4) Uani 1 1 d . . .
O20 O 0.15590(18) -0.05602(13) 0.15718(12) 0.0222(4) Uani 1 1 d . . .
N1 N 0.49307(19) 0.35072(15) 0.10529(13) 0.0141(4) Uani 1 1 d . . .
N2 N 0.5125(2) 0.23922(16) 0.47483(13) 0.0169(4) Uani 1 1 d . . .
C1 C 0.1436(2) 0.14954(19) 0.08354(16) 0.0162(5) Uani 1 1 d . . .
C2 C 0.1980(2) 0.03380(19) 0.17066(15) 0.0154(5) Uani 1 1 d . . .
C11 C 0.5600(2) 0.52494(19) 0.23921(16) 0.0165(5) Uani 1 1 d . . .
C12 C 0.5277(3) 0.5944(2) 0.29039(18) 0.0226(6) Uani 1 1 d . . .
H12A H 0.4396 0.5846 0.2781 0.027 Uiso 1 1 calc R . .
C13 C 0.6241(3) 0.6779(2) 0.35916(19) 0.0266(6) Uani 1 1 d . . .
H13A H 0.6022 0.7247 0.3943 0.032 Uiso 1 1 calc R . .
C14 C 0.7527(3) 0.6923(2) 0.37604(19) 0.0274(6) Uani 1 1 d . . .
H14A H 0.8186 0.7484 0.4237 0.033 Uiso 1 1 calc R . .
C15 C 0.7853(3) 0.6259(2) 0.32428(18) 0.0255(6) Uani 1 1 d . . .
H15A H 0.8738 0.6375 0.3354 0.031 Uiso 1 1 calc R . .
C16 C 0.6887(2) 0.5415(2) 0.25537(17) 0.0210(5) Uani 1 1 d . . .
H16A H 0.7112 0.4957 0.2198 0.025 Uiso 1 1 calc R . .
C21 C 0.3217(2) 0.44498(18) 0.09175(15) 0.0152(5) Uani 1 1 d . . .
C22 C 0.1886(2) 0.3970(2) 0.07739(17) 0.0204(5) Uani 1 1 d . . .
H22A H 0.1570 0.3523 0.1105 0.024 Uiso 1 1 calc R . .
C23 C 0.1024(3) 0.4146(2) 0.01449(19) 0.0268(6) Uani 1 1 d . . .
H23A H 0.0117 0.3816 0.0042 0.032 Uiso 1 1 calc R . .
C24 C 0.1494(3) 0.4805(2) -0.03326(18) 0.0260(6) Uani 1 1 d . . .
H24A H 0.0904 0.4916 -0.0769 0.031 Uiso 1 1 calc R . .
C25 C 0.2810(3) 0.5300(2) -0.01783(18) 0.0253(6) Uani 1 1 d . . .
H25A H 0.3127 0.5760 -0.0499 0.030 Uiso 1 1 calc R . .
C26 C 0.3667(3) 0.5122(2) 0.04447(17) 0.0197(5) Uani 1 1 d . . .
H26A H 0.4573 0.5464 0.0551 0.024 Uiso 1 1 calc R . .
C31 C 0.3303(2) 0.16730(19) -0.02900(15) 0.0155(5) Uani 1 1 d . . .
C32 C 0.2666(2) 0.05669(19) -0.05835(16) 0.0178(5) Uani 1 1 d . . .
H32A H 0.2938 0.0153 -0.0258 0.021 Uiso 1 1 calc R . .
C33 C 0.1630(3) 0.0087(2) -0.13579(17) 0.0229(6) Uani 1 1 d . . .
H33A H 0.1189 -0.0659 -0.1559 0.027 Uiso 1 1 calc R . .
C34 C 0.1245(3) 0.0683(2) -0.18314(17) 0.0255(6) Uani 1 1 d . . .
H34A H 0.0534 0.0345 -0.2356 0.031 Uiso 1 1 calc R . .
C35 C 0.1883(3) 0.1782(2) -0.15524(17) 0.0265(6) Uani 1 1 d . . .
H35A H 0.1617 0.2190 -0.1887 0.032 Uiso 1 1 calc R . .
C36 C 0.2916(3) 0.2271(2) -0.07766(17) 0.0221(6) Uani 1 1 d . . .
H36A H 0.3356 0.3017 -0.0581 0.026 Uiso 1 1 calc R . .
C41 C 0.5988(2) 0.21410(18) 0.06366(17) 0.0169(5) Uani 1 1 d . . .
C42 C 0.6109(3) 0.1855(2) -0.01719(19) 0.0252(6) Uani 1 1 d . . .
H42A H 0.5394 0.1661 -0.0680 0.030 Uiso 1 1 calc R . .
C43 C 0.7277(3) 0.1855(2) -0.0233(2) 0.0362(8) Uani 1 1 d . . .
H43A H 0.7365 0.1663 -0.0783 0.043 Uiso 1 1 calc R . .
C44 C 0.8311(3) 0.2137(2) 0.0514(3) 0.0382(8) Uani 1 1 d . . .
H44A H 0.9108 0.2134 0.0473 0.046 Uiso 1 1 calc R . .
C45 C 0.8198(3) 0.2421(2) 0.1308(2) 0.0346(7) Uani 1 1 d . . .
H45A H 0.8918 0.2619 0.1814 0.041 Uiso 1 1 calc R . .
C46 C 0.7036(3) 0.2422(2) 0.13791(19) 0.0236(6) Uani 1 1 d . . .
H46A H 0.6958 0.2613 0.1932 0.028 Uiso 1 1 calc R . .
C51 C 0.2903(2) 0.06700(19) 0.38575(15) 0.0147(5) Uani 1 1 d . . .
C52 C 0.2105(2) 0.1057(2) 0.41886(15) 0.0181(5) Uani 1 1 d . . .
H52A H 0.2364 0.1795 0.4391 0.022 Uiso 1 1 calc R . .
C53 C 0.0942(3) 0.0371(2) 0.42231(17) 0.0241(6) Uani 1 1 d . . .
H53A H 0.0410 0.0639 0.4451 0.029 Uiso 1 1 calc R . .
C54 C 0.0555(3) -0.0716(2) 0.39219(18) 0.0283(6) Uani 1 1 d . . .
H54A H -0.0243 -0.1188 0.3943 0.034 Uiso 1 1 calc R . .
C55 C 0.1333(3) -0.1103(2) 0.35932(18) 0.0257(6) Uani 1 1 d . . .
H55A H 0.1069 -0.1842 0.3390 0.031 Uiso 1 1 calc R . .
C56 C 0.2499(3) -0.0418(2) 0.35584(16) 0.0206(5) Uani 1 1 d . . .
H56A H 0.3026 -0.0691 0.3329 0.025 Uiso 1 1 calc R . .
C61 C 0.5276(2) 0.08414(18) 0.35299(15) 0.0144(5) Uani 1 1 d . . .
C62 C 0.5791(2) 0.0408(2) 0.41300(16) 0.0182(5) Uani 1 1 d . . .
H62A H 0.5675 0.0517 0.4677 0.022 Uiso 1 1 calc R . .
C63 C 0.6479(3) -0.0185(2) 0.39396(18) 0.0237(6) Uani 1 1 d . . .
H63A H 0.6822 -0.0485 0.4350 0.028 Uiso 1 1 calc R . .
C64 C 0.6653(3) -0.0331(2) 0.31308(19) 0.0283(6) Uani 1 1 d . . .
H64A H 0.7116 -0.0734 0.2991 0.034 Uiso 1 1 calc R . .
C65 C 0.6158(3) 0.0105(2) 0.25411(19) 0.0287(6) Uani 1 1 d . . .
H65A H 0.6291 0.0008 0.1999 0.034 Uiso 1 1 calc R . .
C66 C 0.5456(3) 0.0695(2) 0.27273(16) 0.0199(5) Uani 1 1 d . . .
H66A H 0.5109 0.0989 0.2313 0.024 Uiso 1 1 calc R . .
C71 C 0.7639(2) 0.34395(19) 0.46785(16) 0.0165(5) Uani 1 1 d . . .
C72 C 0.7978(3) 0.4092(2) 0.41649(19) 0.0264(6) Uani 1 1 d . . .
H72A H 0.7593 0.4573 0.4083 0.032 Uiso 1 1 calc R . .
C73 C 0.8892(3) 0.4034(3) 0.3770(2) 0.0360(7) Uani 1 1 d . . .
H73A H 0.9124 0.4477 0.3418 0.043 Uiso 1 1 calc R . .
C74 C 0.9455(3) 0.3349(3) 0.3885(2) 0.0348(7) Uani 1 1 d . . .
H74A H 1.0063 0.3310 0.3606 0.042 Uiso 1 1 calc R . .
C75 C 0.9139(3) 0.2708(2) 0.4408(2) 0.0302(7) Uani 1 1 d . . .
H75A H 0.9541 0.2240 0.4493 0.036 Uiso 1 1 calc R . .
C76 C 0.8241(3) 0.2751(2) 0.48035(18) 0.0235(6) Uani 1 1 d . . .
H76A H 0.8029 0.2313 0.5162 0.028 Uiso 1 1 calc R . .
C81 C 0.7062(2) 0.34994(19) 0.62591(16) 0.0168(5) Uani 1 1 d . . .
C82 C 0.8115(3) 0.4424(2) 0.68287(17) 0.0230(6) Uani 1 1 d . . .
H82A H 0.8490 0.5002 0.6624 0.028 Uiso 1 1 calc R . .
C83 C 0.8604(3) 0.4484(2) 0.76950(19) 0.0313(7) Uani 1 1 d . . .
H83A H 0.9314 0.5106 0.8080 0.038 Uiso 1 1 calc R . .
C84 C 0.8063(3) 0.3645(2) 0.79986(18) 0.0312(7) Uani 1 1 d . . .
H84A H 0.8399 0.3695 0.8590 0.037 Uiso 1 1 calc R . .
C85 C 0.7033(3) 0.2735(2) 0.74423(18) 0.0259(6) Uani 1 1 d . . .
H85A H 0.6659 0.2162 0.7653 0.031 Uiso 1 1 calc R . .
C86 C 0.6542(3) 0.2656(2) 0.65724(16) 0.0198(5) Uani 1 1 d . . .
H86A H 0.5848 0.2022 0.6190 0.024 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
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
C2 Ru1 C1 85.65(11) . . ?
C2 Ru1 O2 90.20(8) . . ?
C1 Ru1 O2 96.81(9) . . ?
C2 Ru1 O3 94.98(9) . . ?
C1 Ru1 O3 177.84(9) . . ?
O2 Ru1 O3 85.25(6) . . ?
C2 Ru1 O1 177.62(9) . . ?
C1 Ru1 O1 96.72(9) . . ?
O2 Ru1 O1 89.43(6) . . ?
O3 Ru1 O1 82.65(6) . . ?
C2 Ru1 Cl1 96.22(7) . . ?
C1 Ru1 Cl1 89.01(8) . . ?
O2 Ru1 Cl1 171.65(5) . . ?
O3 Ru1 Cl1 88.87(5) . . ?
O1 Ru1 Cl1 83.93(5) . . ?
C2 Ru1 K1 131.92(7) . 2_666 ?
C1 Ru1 K1 129.15(7) . 2_666 ?
O2 Ru1 K1 112.85(4) . 2_666 ?
O3 Ru1 K1 49.12(4) . 2_666 ?
O1 Ru1 K1 46.29(4) . 2_666 ?
Cl1 Ru1 K1 58.823(17) . 2_666 ?
O4 K1 O1 133.44(6) . 2_666 ?
O4 K1 O4 85.73(6) . 2_666 ?
O1 K1 O4 126.95(6) 2_666 2_666 ?
O4 K1 O3 163.58(6) . 2_666 ?
O1 K1 O3 61.48(5) 2_666 2_666 ?
O4 K1 O3 88.07(5) 2_666 2_666 ?
O4 K1 Cl1 114.86(4) . 2_666 ?
O1 K1 Cl1 61.14(4) 2_666 2_666 ?
O4 K1 Cl1 142.75(4) 2_666 2_666 ?
O3 K1 Cl1 63.28(4) 2_666 2_666 ?
O4 K1 N2 117.71(6) . 2_666 ?
O1 K1 N2 108.83(5) 2_666 2_666 ?
O4 K1 N2 49.14(5) 2_666 2_666 ?
O3 K1 N2 48.38(5) 2_666 2_666 ?
Cl1 K1 N2 93.76(4) 2_666 2_666 ?
O4 K1 C12 84.08(6) . 2_666 ?
O1 K1 C12 61.63(6) 2_666 2_666 ?
O4 K1 C12 98.01(6) 2_666 2_666 ?
O3 K1 C12 111.86(6) 2_666 2_666 ?
Cl1 K1 C12 114.04(5) 2_666 2_666 ?
N2 K1 C12 133.99(6) 2_666 2_666 ?
O4 K1 P4 105.19(4) . 2_666 ?
O1 K1 P4 116.31(4) 2_666 2_666 ?
O4 K1 P4 23.57(4) 2_666 2_666 ?
O3 K1 P4 65.85(4) 2_666 2_666 ?
Cl1 K1 P4 120.06(2) 2_666 2_666 ?
N2 K1 P4 26.58(4) 2_666 2_666 ?
C12 K1 P4 112.70(5) 2_666 2_666 ?
O4 K1 P3 140.77(5) . 2_666 ?
O1 K1 P3 85.05(4) 2_666 2_666 ?
O4 K1 P3 71.87(4) 2_666 2_666 ?
O3 K1 P3 23.57(4) 2_666 2_666 ?
Cl1 K1 P3 73.092(19) 2_666 2_666 ?
N2 K1 P3 25.87(3) 2_666 2_666 ?
C12 K1 P3 129.72(5) 2_666 2_666 ?
P4 K1 P3 48.308(16) 2_666 2_666 ?
O4 K1 Ru1 151.76(4) . 2_666 ?
O1 K1 Ru1 34.86(4) 2_666 2_666 ?
O4 K1 Ru1 121.96(4) 2_666 2_666 ?
O3 K1 Ru1 35.01(4) 2_666 2_666 ?
Cl1 K1 Ru1 39.685(12) 2_666 2_666 ?
N2 K1 Ru1 82.11(3) 2_666 2_666 ?
C12 K1 Ru1 96.24(4) 2_666 2_666 ?
P4 K1 Ru1 100.713(17) 2_666 2_666 ?
P3 K1 Ru1 56.254(13) 2_666 2_666 ?
O4 K1 P1 123.76(5) . 2_666 ?
O1 K1 P1 18.42(4) 2_666 2_666 ?
O4 K1 P1 116.51(4) 2_666 2_666 ?
O3 K1 P1 72.55(4) 2_666 2_666 ?
Cl1 K1 P1 78.858(18) 2_666 2_666 ?
N2 K1 P1 115.08(4) 2_666 2_666 ?
C12 K1 P1 44.26(4) 2_666 2_666 ?
P4 K1 P1 113.46(2) 2_666 2_666 ?
P3 K1 P1 95.276(17) 2_666 2_666 ?
Ru1 K1 P1 52.078(12) 2_666 2_666 ?
O4 K1 K1 43.62(4) . 2_666 ?
O1 K1 K1 151.42(5) 2_666 2_666 ?
O4 K1 K1 42.10(4) 2_666 2_666 ?
O3 K1 K1 128.43(4) 2_666 2_666 ?
Cl1 K1 K1 146.45(3) 2_666 2_666 ?
N2 K1 K1 81.95(4) 2_666 2_666 ?
C12 K1 K1 91.56(5) 2_666 2_666 ?
P4 K1 K1 62.745(18) 2_666 2_666 ?
P3 K1 K1 107.79(2) 2_666 2_666 ?
Ru1 K1 K1 163.43(3) 2_666 2_666 ?
P1 K1 K1 133.04(3) 2_666 2_666 ?
Ru1 Cl1 K1 81.49(2) . 2_666 ?
O1 P1 N1 117.18(10) . . ?
O1 P1 C11 106.42(10) . . ?
N1 P1 C11 107.85(11) . . ?
O1 P1 C21 108.41(11) . . ?
N1 P1 C21 108.62(11) . . ?
C11 P1 C21 108.03(11) . . ?
O1 P1 K1 33.94(6) . 2_666 ?
N1 P1 K1 131.22(8) . 2_666 ?
C11 P1 K1 72.54(8) . 2_666 ?
C21 P1 K1 117.63(8) . 2_666 ?
O2 P2 N1 116.47(10) . . ?
O2 P2 C41 107.40(11) . . ?
N1 P2 C41 106.15(11) . . ?
O2 P2 C31 108.42(10) . . ?
N1 P2 C31 110.13(12) . . ?
C41 P2 C31 107.92(12) . . ?
O3 P3 N2 114.75(11) . . ?
O3 P3 C61 109.73(10) . . ?
N2 P3 C61 111.09(11) . . ?
O3 P3 C51 110.49(11) . . ?
N2 P3 C51 104.76(11) . . ?
C61 P3 C51 105.53(11) . . ?
O3 P3 K1 47.34(6) . 2_666 ?
N2 P3 K1 70.96(8) . 2_666 ?
C61 P3 K1 145.88(8) . 2_666 ?
C51 P3 K1 106.65(8) . 2_666 ?
O4 P4 N2 116.00(11) . . ?
O4 P4 C81 110.13(11) . . ?
N2 P4 C81 104.26(12) . . ?
O4 P4 C71 109.14(11) . . ?
N2 P4 C71 111.64(11) . . ?
C81 P4 C71 105.02(12) . . ?
O4 P4 K1 45.95(7) . 2_666 ?
N2 P4 K1 73.39(8) . 2_666 ?
C81 P4 K1 140.44(8) . 2_666 ?
C71 P4 K1 112.53(9) . 2_666 ?
P1 O1 Ru1 128.03(9) . . ?
P1 O1 K1 127.64(9) . 2_666 ?
Ru1 O1 K1 98.85(6) . 2_666 ?
P2 O2 Ru1 121.88(10) . . ?
P3 O3 Ru1 140.03(10) . . ?
P3 O3 K1 109.09(8) . 2_666 ?
Ru1 O3 K1 95.87(6) . 2_666 ?
P4 O4 K1 138.40(10) . . ?
P4 O4 K1 110.47(9) . 2_666 ?
K1 O4 K1 94.27(6) . 2_666 ?
P1 N1 P2 126.13(13) . . ?
P3 N2 P4 132.71(14) . . ?
P3 N2 K1 83.17(9) . 2_666 ?
P4 N2 K1 80.03(9) . 2_666 ?
O10 C1 Ru1 174.6(2) . . ?
O20 C2 Ru1 177.1(2) . . ?
C16 C11 C12 119.8(2) . . ?
C16 C11 P1 121.15(19) . . ?
C12 C11 P1 118.62(19) . . ?
C13 C12 C11 120.1(2) . . ?
C13 C12 K1 104.32(18) . 2_666 ?
C11 C12 K1 89.54(16) . 2_666 ?
C14 C13 C12 119.5(2) . . ?
C15 C14 C13 120.5(2) . . ?
C14 C15 C16 120.2(3) . . ?
C11 C16 C15 119.8(2) . . ?
C26 C21 C22 119.4(2) . . ?
C26 C21 P1 120.61(19) . . ?
C22 C21 P1 119.56(19) . . ?
C23 C22 C21 119.9(2) . . ?
C24 C23 C22 119.7(3) . . ?
C25 C24 C23 120.5(3) . . ?
C24 C25 C26 119.8(3) . . ?
C25 C26 C21 120.7(2) . . ?
C36 C31 C32 120.1(2) . . ?
C36 C31 P2 121.72(19) . . ?
C32 C31 P2 118.1(2) . . ?
C33 C32 C31 119.1(3) . . ?
C34 C33 C32 120.5(2) . . ?
C33 C34 C35 120.9(2) . . ?
C36 C35 C34 119.2(3) . . ?
C31 C36 C35 120.2(2) . . ?
C46 C41 C42 119.8(2) . . ?
C46 C41 P2 118.38(19) . . ?
C42 C41 P2 121.6(2) . . ?
C43 C42 C41 119.9(3) . . ?
C44 C43 C42 119.5(3) . . ?
C45 C44 C43 120.8(3) . . ?
C44 C45 C46 120.3(3) . . ?
C45 C46 C41 119.7(3) . . ?
C56 C51 C52 118.7(2) . . ?
C56 C51 P3 122.61(19) . . ?
C52 C51 P3 118.61(18) . . ?
C53 C52 C51 120.6(2) . . ?
C52 C53 C54 119.8(3) . . ?
C55 C54 C53 120.0(3) . . ?
C54 C55 C56 120.3(3) . . ?
C55 C56 C51 120.5(3) . . ?
C62 C61 C66 119.9(2) . . ?
C62 C61 P3 119.54(18) . . ?
C66 C61 P3 120.6(2) . . ?
C61 C62 C63 120.9(2) . . ?
C62 C63 C64 118.9(3) . . ?
C65 C64 C63 120.3(3) . . ?
C64 C65 C66 121.0(3) . . ?
C61 C66 C65 119.0(3) . . ?
C72 C71 C76 119.2(2) . . ?
C72 C71 P4 119.6(2) . . ?
C76 C71 P4 121.2(2) . . ?
C71 C72 C73 119.4(3) . . ?
C74 C73 C72 120.8(3) . . ?
C73 C74 C75 120.1(3) . . ?
C76 C75 C74 120.1(3) . . ?
C75 C76 C71 120.3(3) . . ?
C86 C81 C82 119.1(2) . . ?
C86 C81 P4 122.49(19) . . ?
C82 C81 P4 118.4(2) . . ?
C83 C82 C81 119.6(3) . . ?
C84 C83 C82 120.6(3) . . ?
C85 C84 C83 120.1(3) . . ?
C84 C85 C86 120.2(3) . . ?
C81 C86 C85 120.5(2) . . ?
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 C2 1.849(3) . ?
Ru1 C1 1.858(3) . ?
Ru1 O2 2.0949(16) . ?
Ru1 O3 2.1277(17) . ?
Ru1 O1 2.1341(16) . ?
Ru1 Cl1 2.3820(6) . ?
Ru1 K1 3.6892(5) 2_666 ?
K1 O4 2.6288(17) . ?
K1 O1 2.6988(17) 2_666 ?
K1 O4 2.7051(19) 2_666 ?
K1 O3 2.8039(17) 2_666 ?
K1 Cl1 3.1915(8) 2_666 ?
K1 N2 3.430(2) 2_666 ?
K1 C12 3.447(3) 2_666 ?
K1 P4 3.5257(9) 2_666 ?
K1 P3 3.6031(8) 2_666 ?
K1 Ru1 3.6892(5) 2_666 ?
K1 P1 3.8278(8) 2_666 ?
K1 K1 3.9099(10) 2_666 ?
Cl1 K1 3.1915(8) 2_666 ?
P1 O1 1.5275(17) . ?
P1 N1 1.585(2) . ?
P1 C11 1.805(2) . ?
P1 C21 1.805(3) . ?
P1 K1 3.8278(8) 2_666 ?
P2 O2 1.5359(17) . ?
P2 N1 1.595(2) . ?
P2 C41 1.796(3) . ?
P2 C31 1.802(2) . ?
P3 O3 1.5247(18) . ?
P3 N2 1.583(2) . ?
P3 C61 1.810(2) . ?
P3 C51 1.816(2) . ?
P3 K1 3.6031(8) 2_666 ?
P4 O4 1.5050(18) . ?
P4 N2 1.602(2) . ?
P4 C81 1.807(3) . ?
P4 C71 1.812(3) . ?
P4 K1 3.5257(9) 2_666 ?
O1 K1 2.6988(17) 2_666 ?
O3 K1 2.8039(17) 2_666 ?
O4 K1 2.7051(19) 2_666 ?
O10 C1 1.140(3) . ?
O20 C2 1.148(3) . ?
N2 K1 3.430(2) 2_666 ?
C11 C16 1.384(4) . ?
C11 C12 1.399(4) . ?
C12 C13 1.391(4) . ?
C12 K1 3.447(3) 2_666 ?
C13 C14 1.390(4) . ?
C14 C15 1.377(4) . ?
C15 C16 1.398(4) . ?
C21 C26 1.388(4) . ?
C21 C22 1.397(4) . ?
C22 C23 1.391(4) . ?
C23 C24 1.389(4) . ?
C24 C25 1.380(4) . ?
C25 C26 1.382(4) . ?
C31 C36 1.386(4) . ?
C31 C32 1.407(3) . ?
C32 C33 1.394(4) . ?
C33 C34 1.369(4) . ?
C34 C35 1.398(4) . ?
C35 C36 1.394(4) . ?
C41 C46 1.392(4) . ?
C41 C42 1.394(4) . ?
C42 C43 1.391(4) . ?
C43 C44 1.386(5) . ?
C44 C45 1.368(5) . ?
C45 C46 1.389(4) . ?
C51 C56 1.395(3) . ?
C51 C52 1.405(3) . ?
C52 C53 1.385(4) . ?
C53 C54 1.397(4) . ?
C54 C55 1.382(4) . ?
C55 C56 1.389(4) . ?
C61 C62 1.390(4) . ?
C61 C66 1.396(3) . ?
C62 C63 1.397(4) . ?
C63 C64 1.404(4) . ?
C64 C65 1.371(4) . ?
C65 C66 1.406(4) . ?
C71 C72 1.393(4) . ?
C71 C76 1.405(4) . ?
C72 C73 1.400(4) . ?
C73 C74 1.366(5) . ?
C74 C75 1.389(5) . ?
C75 C76 1.380(4) . ?
C81 C86 1.393(4) . ?
C81 C82 1.409(4) . ?
C82 C83 1.395(4) . ?
C83 C84 1.384(5) . ?
C84 C85 1.382(4) . ?
C85 C86 1.394(4) . ?
