#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:30:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179634 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/98/4509843.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_4509843
loop_
_publ_author_name
'Czaun, Miklos'
'Goeppert, Alain'
'Kothandaraman, Jotheeswari'
'May, Robert B.'
'Haiges, Ralf'
'Prakash, G. K. Surya'
'Olah, George A.'
_publ_section_title
;
 Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation
 of Hydrogen from Formic Acid in Emulsions
;
_journal_issue                   1
_journal_name_full               'ACS Catalysis'
_journal_page_first              311
_journal_paper_doi               10.1021/cs4007974
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety
'C30 H14 Na2 O50 Ru12, 6(C18 H15 O P), 2(C7 H8), 4(H2 O)'
_chemical_formula_sum            'C76 H64 Na O30 P3 Ru6'
_chemical_formula_weight         2179.59
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                101.4600(10)
_cell_angle_beta                 113.7560(10)
_cell_angle_gamma                107.5850(10)
_cell_formula_units_Z            2
_cell_length_a                   16.3958(9)
_cell_length_b                   17.5531(9)
_cell_length_c                   17.6055(9)
_cell_measurement_temperature    100.(2)
_cell_volume                     4111.9(4)
_computing_cell_refinement       'APEX2 v2013.10-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL XS 2013/1 (Bruker AXS)'
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega- and phi-scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           'MoK\a '
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            99952
_diffrn_reflns_theta_full        30.53
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         1.31
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    1.220
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS V2012/1'
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.574
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.078
_refine_diff_density_max         2.910
_refine_diff_density_min         -1.825
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1046
_refine_ls_number_reflns         24604
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0229P)²+7.0579P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                20618
_reflns_number_total             24604
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs4007974_si_002.cif
_cod_data_source_block           I
_cod_database_code               4509843
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_posn
_atom_site_occupancy
C C1 0.11877(16) 0.47367(14) 0.34361(15) 0.0143(4) Uani d . . 1
C C2 0.09535(16) 0.33420(14) 0.46010(14) 0.0140(4) Uani d . . 1
C C3 0.23455(15) 0.56021(14) 0.58411(15) 0.0145(4) Uani d . . 1
C C4 0.03461(19) 0.27109(16) 0.16067(17) 0.0217(5) Uani d . . 1
C C5 0.02781(18) 0.17237(15) 0.24873(17) 0.0199(5) Uani d . . 1
C C6 0.26041(18) 0.35560(17) 0.28478(18) 0.0230(5) Uani d . . 1
C C7 0.25013(19) 0.25693(16) 0.37298(17) 0.0215(5) Uani d . . 1
C C8 0.32288(17) 0.47857(15) 0.77318(16) 0.0176(4) Uani d . . 1
C C9 0.21871(17) 0.32087(15) 0.67264(15) 0.0178(4) Uani d . . 1
C C10 0.44333(17) 0.49622(15) 0.67985(17) 0.0185(4) Uani d . . 1
C C11 0.35047(17) 0.33334(15) 0.59174(16) 0.0184(4) Uani d . . 1
C C12 0.28805(18) 0.68635(16) 0.38175(17) 0.0204(5) Uani d . . 1
C C13 0.37400(18) 0.74909(16) 0.55103(17) 0.0221(5) Uani d . . 1
C C14 0.38951(18) 0.56751(17) 0.39797(17) 0.0231(5) Uani d . . 1
C C15 0.46759(18) 0.62393(17) 0.56760(17) 0.0214(5) Uani d . . 1
C C16 0.23694(18) 0.00707(15) 0.69531(15) 0.0193(5) Uani d . . 1
C C17 0.27262(19) 0.09624(16) 0.73327(16) 0.0238(5) Uani d . . 1
H H17 0.299 0.1321 0.7073 0.029 Uiso calc U R 1
C C18 0.2692(2) 0.13212(18) 0.80927(18) 0.0298(6) Uani d . . 1
H H18 0.2908 0.1925 0.8337 0.036 Uiso calc U R 1
C C19 0.2344(2) 0.0801(2) 0.84949(17) 0.0303(6) Uani d . . 1
H H19 0.2323 0.105 0.9013 0.036 Uiso calc U R 1
C C20 0.20283(19) -0.00813(19) 0.81441(17) 0.0258(5) Uani d . . 1
H H20 0.1818 -0.0433 0.8436 0.031 Uiso calc U R 1
C C21 0.20209(19) -0.04485(17) 0.73640(16) 0.0219(5) Uani d . . 1
H H21 0.1778 -0.1055 0.7108 0.026 Uiso calc U R 1
C C22 0.13359(18) -0.03176(15) 0.50423(15) 0.0178(4) Uani d . . 1
C C23 0.12929(19) 0.04763(16) 0.51033(17) 0.0225(5) Uani d . . 1
H H23 0.1745 0.0965 0.5637 0.027 Uiso calc U R 1
C C24 0.0588(2) 0.05468(17) 0.43825(18) 0.0256(5) Uani d . . 1
H H24 0.0562 0.1086 0.4419 0.031 Uiso calc U R 1
C C25 -0.00797(19) -0.01722(18) 0.36079(17) 0.0246(5) Uani d . . 1
H H25 -0.0548 -0.0119 0.3109 0.029 Uiso calc U R 1
C C26 -0.00671(18) -0.09630(17) 0.35576(17) 0.0232(5) Uani d . . 1
H H26 -0.0545 -0.1455 0.3034 0.028 Uiso calc U R 1
C C27 0.06431(18) -0.10430(16) 0.42707(16) 0.0197(5) Uani d . . 1
H H27 0.0656 -0.1586 0.4232 0.024 Uiso calc U R 1
C C28 0.34357(18) 0.01284(15) 0.59652(16) 0.0209(5) Uani d . . 1
C C29 0.3646(2) 0.08541(18) 0.5742(2) 0.0354(7) Uani d . . 1
H H29 0.3171 0.1079 0.5551 0.042 Uiso calc U R 1
C C30 0.4551(2) 0.1248(2) 0.5799(3) 0.0432(8) Uani d . . 1
H H30 0.4696 0.1747 0.5653 0.052 Uiso calc U R 1
C C31 0.5244(2) 0.0923(2) 0.6064(3) 0.0413(8) Uani d . . 1
H H31 0.5861 0.1196 0.6101 0.05 Uiso calc U R 1
C C32 0.5035(3) 0.0202(2) 0.6277(3) 0.0454(8) Uani d . . 1
H H32 0.5509 -0.0026 0.6456 0.054 Uiso calc U R 1
C C33 0.4136(2) -0.0196(2) 0.6231(2) 0.0334(6) Uani d . . 1
H H33 0.3999 -0.0692 0.6382 0.04 Uiso calc U R 1
C C34 0.58179(17) 0.12508(15) -0.03373(15) 0.0172(4) Uani d . . 1
C C35 0.49489(19) 0.07876(17) -0.11557(18) 0.0241(5) Uani d . . 1
H H35 0.459 0.1075 -0.1446 0.029 Uiso calc U R 1
C C36 0.46087(19) -0.00986(17) -0.15462(18) 0.0262(5) Uani d . . 1
H H36 0.4017 -0.0413 -0.2103 0.031 Uiso calc U R 1
C C37 0.5125(2) -0.05214(16) -0.11306(18) 0.0246(5) Uani d . . 1
H H37 0.4897 -0.1123 -0.1406 0.03 Uiso calc U R 1
C C38 0.5978(2) -0.00658(17) -0.03097(19) 0.0269(5) Uani d . . 1
H H38 0.6327 -0.0359 -0.0018 0.032 Uiso calc U R 1
C C39 0.6324(2) 0.08151(17) 0.00886(17) 0.0242(5) Uani d . . 1
H H39 0.6907 0.1123 0.0653 0.029 Uiso calc U R 1
C C40 0.56655(18) 0.25352(14) 0.08396(15) 0.0178(4) Uani d . . 1
C C41 0.46437(19) 0.22462(18) 0.03942(17) 0.0246(5) Uani d . . 1
H H41 0.4284 0.1996 -0.0239 0.029 Uiso calc U R 1
C C42 0.4146(2) 0.23180(19) 0.08605(18) 0.0284(6) Uani d . . 1
H H42 0.345 0.2119 0.055 0.034 Uiso calc U R 1
C C43 0.4673(2) 0.26845(17) 0.17898(18) 0.0261(5) Uani d . . 1
H H43 0.4339 0.2737 0.2116 0.031 Uiso calc U R 1
C C44 0.5685(2) 0.29706(18) 0.22350(17) 0.0282(6) Uani d . . 1
H H44 0.6042 0.3213 0.2868 0.034 Uiso calc U R 1
C C45 0.61891(19) 0.29076(17) 0.17680(17) 0.0241(5) Uani d . . 1
H H45 0.6886 0.3117 0.208 0.029 Uiso calc U R 1
C C46 0.59353(18) 0.28603(15) -0.06024(16) 0.0195(5) Uani d . . 1
C C47 0.5689(2) 0.35453(18) -0.04303(19) 0.0321(6) Uani d . . 1
H H47 0.5655 0.3727 0.0097 0.039 Uiso calc U R 1
C C48 0.5493(3) 0.3963(2) -0.1032(2) 0.0404(8) Uani d . . 1
H H48 0.532 0.4426 -0.0919 0.048 Uiso calc U R 1
C C49 0.5552(3) 0.3699(2) -0.1795(2) 0.0374(7) Uani d . . 1
H H49 0.542 0.3985 -0.2205 0.045 Uiso calc U R 1
C C50 0.5800(3) 0.3028(2) -0.1968(2) 0.0383(7) Uani d . . 1
H H50 0.5843 0.2856 -0.2493 0.046 Uiso calc U R 1
C C51 0.5988(2) 0.26038(19) -0.13766(19) 0.0294(6) Uani d . . 1
H H51 0.6152 0.2137 -0.1499 0.035 Uiso calc U R 1
C C52 0.0934(2) 0.81750(17) 0.2348(2) 0.0291(6) Uani d . . 1
C C53 0.0595(3) 0.8695(2) 0.1934(3) 0.0494(10) Uani d . . 1
H H53 -0.0025 0.846 0.1405 0.059 Uiso calc U R 1
C C54 0.1204(4) 0.9591(3) 0.2324(4) 0.0754(18) Uani d . . 1
H H54 0.0988 0.9964 0.2058 0.091 Uiso calc U R 1
C C55 0.2113(4) 0.9927(2) 0.3089(4) 0.0741(17) Uani d . . 1
H H55 0.2512 1.0528 0.3342 0.089 Uiso calc U R 1
C C56 0.2440(3) 0.9409(2) 0.3483(3) 0.0584(12) Uani d . . 1
H H56 0.3065 0.9647 0.4007 0.07 Uiso calc U R 1
C C57 0.1857(3) 0.85300(18) 0.3116(2) 0.0377(7) Uani d . . 1
H H57 0.2088 0.8166 0.3388 0.045 Uiso calc U R 1
C C58 0.07000(19) 0.64785(16) 0.14814(17) 0.0223(5) Uani d . . 1
C C59 0.1068(2) 0.67891(19) 0.0957(2) 0.0329(6) Uani d . . 1
H H59 0.1068 0.7311 0.0883 0.039 Uiso calc U R 1
C C60 0.1433(2) 0.6332(2) 0.0547(2) 0.0413(8) Uani d . . 1
H H60 0.1674 0.6536 0.0183 0.05 Uiso calc U R 1
C C61 0.1443(2) 0.5579(2) 0.0669(2) 0.0456(9) Uani d . . 1
H H61 0.1699 0.5271 0.0392 0.055 Uiso calc U R 1
C C62 0.1086(3) 0.5273(2) 0.1187(2) 0.0415(8) Uani d . . 1
H H62 0.1098 0.4756 0.1267 0.05 Uiso calc U R 1
C C63 0.0706(2) 0.57172(18) 0.1595(2) 0.0298(6) Uani d . . 1
H H63 0.0455 0.5503 0.1948 0.036 Uiso calc U R 1
C C64 -0.1045(2) 0.67665(18) 0.11955(17) 0.0245(5) Uani d . . 1
C C65 -0.1731(2) 0.66998(18) 0.14776(18) 0.0254(5) Uani d . . 1
H H65 -0.1531 0.6802 0.2089 0.031 Uiso calc U R 1
C C66 -0.2709(2) 0.6485(2) 0.0879(2) 0.0325(6) Uani d . . 1
H H66 -0.3171 0.6443 0.1082 0.039 Uiso calc U R 1
C C67 -0.3002(3) 0.6335(2) -0.0012(2) 0.0428(8) Uani d . . 1
H H67 -0.3666 0.6191 -0.0425 0.051 Uiso calc U R 1
C C68 -0.2326(3) 0.6393(3) -0.0297(2) 0.0643(13) Uani d . . 1
H H68 -0.2529 0.629 -0.0909 0.077 Uiso calc U R 1
C C69 -0.1353(3) 0.6600(3) 0.0294(2) 0.0505(10) Uani d . . 1
H H69 -0.0898 0.6628 0.0084 0.061 Uiso calc U R 1
C C70 0.2287(3) -0.0110(2) 0.1022(3) 0.0497(9) Uani d . . 1
C C71 0.1497(3) -0.0321(3) 0.0179(3) 0.0655(13) Uani d . . 1
H H71 0.1204 -0.0882 -0.0253 0.079 Uiso calc U R 1
C C72 0.1131(4) 0.0264(4) -0.0044(4) 0.0795(16) Uani d . . 1
H H72 0.0603 0.0102 -0.0626 0.095 Uiso calc U R 1
C C73 0.1519(4) 0.1070(4) 0.0565(4) 0.0715(13) Uani d . . 1
H H73 0.1251 0.1464 0.0417 0.086 Uiso calc U R 1
C C74 0.2312(4) 0.1306(3) 0.1403(3) 0.0588(11) Uani d . . 1
H H74 0.2596 0.1869 0.183 0.071 Uiso calc U R 1
C C75 0.2697(3) 0.0720(2) 0.1624(3) 0.0532(10) Uani d . . 1
H H75 0.3248 0.0894 0.2196 0.064 Uiso calc U R 1
C C76 0.2659(4) -0.0753(3) 0.1277(4) 0.0709(14) Uani d . . 1
H H76A 0.3377 -0.0502 0.1544 0.106 Uiso calc U R 1
H H76B 0.2364 -0.1266 0.0744 0.106 Uiso calc U R 1
H H76C 0.2479 -0.0912 0.171 0.106 Uiso calc U R 1
O O1 0.03779(12) 0.40751(10) 0.28779(11) 0.0187(3) Uani d . . 1
O O2 0.19978(12) 0.46308(10) 0.37375(11) 0.0168(3) Uani d . . 1
O O3 0.12201(12) 0.54771(10) 0.36867(11) 0.0158(3) Uani d . . 1
O O4 0.01969(12) 0.29726(11) 0.38275(11) 0.0195(3) Uani d . . 1
O O5 0.18145(12) 0.34784(10) 0.46794(10) 0.0158(3) Uani d . . 1
O O6 0.08870(12) 0.35744(10) 0.52987(10) 0.0157(3) Uani d . . 1
O O7 0.20684(12) 0.53519(10) 0.63630(11) 0.0153(3) Uani d . . 1
O O8 0.28431(12) 0.52674(10) 0.55881(11) 0.0153(3) Uani d . . 1
O O9 0.21668(12) 0.61929(10) 0.55773(11) 0.0155(3) Uani d . . 1
O O10 0.03979(17) 0.26721(15) 0.09707(14) 0.0368(5) Uani d . . 1
O O11 0.03065(16) 0.10692(12) 0.23945(16) 0.0338(5) Uani d . . 1
O O12 0.28250(17) 0.35577(16) 0.23070(15) 0.0376(5) Uani d . . 1
O O13 0.26859(17) 0.19943(13) 0.37642(15) 0.0348(5) Uani d . . 1
O O14 0.39150(14) 0.51212(12) 0.84334(12) 0.0267(4) Uani d . . 1
O O15 0.22297(16) 0.25826(12) 0.68000(14) 0.0288(4) Uani d . . 1
O O16 0.51769(13) 0.53950(12) 0.74311(13) 0.0268(4) Uani d . . 1
O O17 0.36762(15) 0.27561(12) 0.59800(14) 0.0295(4) Uani d . . 1
O O18 0.30953(16) 0.70524(14) 0.33118(14) 0.0327(5) Uani d . . 1
O O19 0.44861(15) 0.80448(13) 0.60441(15) 0.0374(5) Uani d . . 1
O O20 0.41945(16) 0.58033(15) 0.35081(14) 0.0344(5) Uani d . . 1
O O21 0.54575(14) 0.67047(14) 0.62527(13) 0.0311(4) Uani d . . 1
O O22 0.20809(13) -0.13706(10) 0.57531(11) 0.0205(3) Uani d . . 1
O O23 0.73923(12) 0.27743(11) 0.08336(11) 0.0205(3) Uani d . . 1
O O24 0.02437(13) 0.68505(11) 0.28132(11) 0.0207(3) Uani d . . 1
Na Na1 0.03178(7) 0.58955(6) 0.45952(6) 0.01810(18) Uani d . . 1
P P1 0.22851(5) -0.04428(4) 0.59102(4) 0.01688(11) Uani d . . 1
P P2 0.62946(4) 0.23879(4) 0.02276(4) 0.01622(11) Uani d . . 1
P P3 0.02085(5) 0.70464(4) 0.20088(4) 0.01881(12) Uani d . . 1
Ru Ru1 0.02772(2) 0.27883(2) 0.26343(2) 0.01240(4) Uani d . . 1
Ru Ru2 0.22361(2) 0.35187(2) 0.37008(2) 0.01363(4) Uani d . . 1
Ru Ru3 0.21417(2) 0.42119(2) 0.66075(2) 0.01141(3) Uani d . . 1
Ru Ru4 0.32156(2) 0.42571(2) 0.57962(2) 0.01251(4) Uani d . . 1
Ru Ru5 0.25680(2) 0.65775(2) 0.46420(2) 0.01231(4) Uani d . . 1
Ru Ru6 0.34252(2) 0.54963(2) 0.47509(2) 0.01475(4) Uani d . . 1
O O1W -0.13379(12) 0.24188(11) 0.21328(11) 0.0188(3) Uani d . . 1
H H1W -0.1638 0.2549 0.1763 0.023 Uiso d U R 1
H H2W -0.155 0.242 0.2463 0.023 Uiso d U R 1
O O2W 0.09486(11) 0.42886(10) 0.68701(11) 0.0148(3) Uani d . . 1
H H3W 0.0657 0.3924 0.7035 0.018 Uiso d U R 1
H H4W 0.1124 0.4681 0.7225 0.018 Uiso d U R 1
O O3W 0.14390(12) 0.71018(10) 0.45172(11) 0.0150(3) Uani d . . 1
H H5W 0.1232 0.7123 0.4159 0.018 Uiso d U R 1
O O4W 0.04145(12) 0.56389(10) 0.58961(11) 0.0177(3) Uani d . . 1
H H6W 0.0915 0.5647 0.615 0.021 Uiso d U R 1
H H7W 0.033 0.5946 0.6204 0.021 Uiso d U R 1
O O5W 0.87873(13) 0.44064(11) 0.19108(12) 0.0244(4) Uani d . . 1
H H8W 0.8285 0.3967 0.1578 0.029 Uiso d U R 1
H H9W 0.9211 0.4278 0.2138 0.029 Uiso d U R 1
O O6W 0.77686(14) 0.23745(11) 0.31837(12) 0.0230(4) Uani d . . 1
H H10W 0.7777 0.2778 0.3499 0.028 Uiso d U R 1
H H11W 0.7814 0.2098 0.3467 0.028 Uiso d U R 1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O3 C1 O1 . . 122.1(2)
O3 C1 O2 . . 120.0(2)
O1 C1 O2 . . 117.9(2)
O4 C2 O6 . . 121.6(2)
O4 C2 O5 . . 119.0(2)
O6 C2 O5 . . 119.43(19)
O7 C3 O9 . . 121.5(2)
O7 C3 O8 . . 119.31(19)
O9 C3 O8 . . 119.2(2)
O10 C4 Ru1 . . 179.2(3)
O11 C5 Ru1 . . 177.8(2)
O12 C6 Ru2 . . 178.3(2)
O13 C7 Ru2 . . 178.4(3)
O14 C8 Ru3 . . 177.8(2)
O15 C9 Ru3 . . 178.9(2)
O16 C10 Ru4 . . 178.4(2)
O17 C11 Ru4 . . 179.1(2)
O18 C12 Ru5 . . 178.7(3)
O19 C13 Ru5 . . 177.7(2)
O20 C14 Ru6 . . 178.7(2)
O21 C15 Ru6 . . 179.8(3)
C17 C16 C21 . . 119.6(2)
C17 C16 P1 . . 121.9(2)
C21 C16 P1 . . 118.49(18)
C18 C17 C16 . . 119.7(3)
C18 C17 H17 . . 120.2
C16 C17 H17 . . 120.2
C19 C18 C17 . . 120.3(3)
C19 C18 H18 . . 119.9
C17 C18 H18 . . 119.9
C20 C19 C18 . . 120.4(3)
C20 C19 H19 . . 119.8
C18 C19 H19 . . 119.8
C19 C20 C21 . . 119.7(3)
C19 C20 H20 . . 120.2
C21 C20 H20 . . 120.2
C20 C21 C16 . . 120.3(2)
C20 C21 H21 . . 119.8
C16 C21 H21 . . 119.8
C27 C22 C23 . . 119.9(2)
C27 C22 P1 . . 117.58(18)
C23 C22 P1 . . 122.52(18)
C24 C23 C22 . . 119.9(2)
C24 C23 H23 . . 120.1
C22 C23 H23 . . 120.1
C23 C24 C25 . . 119.8(2)
C23 C24 H24 . . 120.1
C25 C24 H24 . . 120.1
C26 C25 C24 . . 120.5(2)
C26 C25 H25 . . 119.7
C24 C25 H25 . . 119.7
C25 C26 C27 . . 120.3(2)
C25 C26 H26 . . 119.8
C27 C26 H26 . . 119.8
C26 C27 C22 . . 119.5(2)
C26 C27 H27 . . 120.3
C22 C27 H27 . . 120.3
C33 C28 C29 . . 119.1(3)
C33 C28 P1 . . 117.0(2)
C29 C28 P1 . . 123.9(2)
C30 C29 C28 . . 119.8(3)
C30 C29 H29 . . 120.1
C28 C29 H29 . . 120.1
C31 C30 C29 . . 120.8(3)
C31 C30 H30 . . 119.6
C29 C30 H30 . . 119.6
C32 C31 C30 . . 119.6(3)
C32 C31 H31 . . 120.2
C30 C31 H31 . . 120.2
C31 C32 C33 . . 120.4(3)
C31 C32 H32 . . 119.8
C33 C32 H32 . . 119.8
C32 C33 C28 . . 120.3(3)
C32 C33 H33 . . 119.8
C28 C33 H33 . . 119.8
C39 C34 C35 . . 119.3(2)
C39 C34 P2 . . 117.76(18)
C35 C34 P2 . . 122.91(18)
C36 C35 C34 . . 119.8(2)
C36 C35 H35 . . 120.1
C34 C35 H35 . . 120.1
C37 C36 C35 . . 120.5(2)
C37 C36 H36 . . 119.7
C35 C36 H36 . . 119.7
C36 C37 C38 . . 119.8(2)
C36 C37 H37 . . 120.1
C38 C37 H37 . . 120.1
C37 C38 C39 . . 120.4(2)
C37 C38 H38 . . 119.8
C39 C38 H38 . . 119.8
C38 C39 C34 . . 120.2(2)
C38 C39 H39 . . 119.9
C34 C39 H39 . . 119.9
C45 C40 C41 . . 119.2(2)
C45 C40 P2 . . 120.27(19)
C41 C40 P2 . . 120.51(18)
C42 C41 C40 . . 121.1(2)
C42 C41 H41 . . 119.5
C40 C41 H41 . . 119.5
C41 C42 C43 . . 119.5(3)
C41 C42 H42 . . 120.3
C43 C42 H42 . . 120.3
C44 C43 C42 . . 119.8(3)
C44 C43 H43 . . 120.1
C42 C43 H43 . . 120.1
C43 C44 C45 . . 120.9(2)
C43 C44 H44 . . 119.5
C45 C44 H44 . . 119.5
C44 C45 C40 . . 119.6(2)
C44 C45 H45 . . 120.2
C40 C45 H45 . . 120.2
C51 C46 C47 . . 119.4(2)
C51 C46 P2 . . 120.81(19)
C47 C46 P2 . . 119.53(19)
C48 C47 C46 . . 120.0(3)
C48 C47 H47 . . 120.0
C46 C47 H47 . . 120.0
C49 C48 C47 . . 119.6(3)
C49 C48 H48 . . 120.2
C47 C48 H48 . . 120.2
C50 C49 C48 . . 120.9(3)
C50 C49 H49 . . 119.6
C48 C49 H49 . . 119.6
C49 C50 C51 . . 119.9(3)
C49 C50 H50 . . 120.1
C51 C50 H50 . . 120.1
C50 C51 C46 . . 120.3(3)
C50 C51 H51 . . 119.9
C46 C51 H51 . . 119.9
C53 C52 C57 . . 120.3(3)
C53 C52 P3 . . 123.7(3)
C57 C52 P3 . . 115.8(2)
C52 C53 C54 . . 117.9(4)
C52 C53 H53 . . 121.1
C54 C53 H53 . . 121.1
C55 C54 C53 . . 120.6(4)
C55 C54 H54 . . 119.7
C53 C54 H54 . . 119.7
C56 C55 C54 . . 120.9(4)
C56 C55 H55 . . 119.5
C54 C55 H55 . . 119.5
C55 C56 C57 . . 119.6(5)
C55 C56 H56 . . 120.2
C57 C56 H56 . . 120.2
C56 C57 C52 . . 120.6(4)
C56 C57 H57 . . 119.7
C52 C57 H57 . . 119.7
C63 C58 C59 . . 120.0(3)
C63 C58 P3 . . 119.1(2)
C59 C58 P3 . . 120.9(2)
C60 C59 C58 . . 119.8(3)
C60 C59 H59 . . 120.1
C58 C59 H59 . . 120.1
C61 C60 C59 . . 119.8(3)
C61 C60 H60 . . 120.1
C59 C60 H60 . . 120.1
C62 C61 C60 . . 120.6(3)
C62 C61 H61 . . 119.7
C60 C61 H61 . . 119.7
C61 C62 C63 . . 120.5(3)
C61 C62 H62 . . 119.8
C63 C62 H62 . . 119.8
C58 C63 C62 . . 119.3(3)
C58 C63 H63 . . 120.3
C62 C63 H63 . . 120.3
C65 C64 C69 . . 118.8(3)
C65 C64 P3 . . 118.6(2)
C69 C64 P3 . . 122.6(2)
C64 C65 C66 . . 121.1(3)
C64 C65 H65 . . 119.5
C66 C65 H65 . . 119.5
C67 C66 C65 . . 119.5(3)
C67 C66 H66 . . 120.2
C65 C66 H66 . . 120.2
C68 C67 C66 . . 119.6(3)
C68 C67 H67 . . 120.2
C66 C67 H67 . . 120.2
C67 C68 C69 . . 121.1(3)
C67 C68 H68 . . 119.4
C69 C68 H68 . . 119.4
C68 C69 C64 . . 119.8(3)
C68 C69 H69 . . 120.1
C64 C69 H69 . . 120.1
C75 C70 C71 . . 116.8(4)
C75 C70 C76 . . 121.2(4)
C71 C70 C76 . . 122.1(4)
C72 C71 C70 . . 122.0(4)
C72 C71 H71 . . 119.0
C70 C71 H71 . . 119.0
C73 C72 C71 . . 120.7(5)
C73 C72 H72 . . 119.7
C71 C72 H72 . . 119.7
C72 C73 C74 . . 119.0(5)
C72 C73 H73 . . 120.5
C74 C73 H73 . . 120.5
C73 C74 C75 . . 120.4(4)
C73 C74 H74 . . 119.8
C75 C74 H74 . . 119.8
C70 C75 C74 . . 121.2(4)
C70 C75 H75 . . 119.4
C74 C75 H75 . . 119.4
C70 C76 H76A . . 109.5
C70 C76 H76B . . 109.5
H76A C76 H76B . . 109.5
C70 C76 H76C . . 109.5
H76A C76 H76C . . 109.5
H76B C76 H76C . . 109.5
C1 O1 Ru1 . . 122.05(14)
C1 O2 Ru6 . . 129.76(14)
C1 O2 Ru2 . . 131.36(14)
Ru6 O2 Ru2 . . 96.20(6)
C1 O3 Ru5 . . 122.13(14)
C1 O3 Na1 . . 123.63(14)
Ru5 O3 Na1 . . 90.68(6)
C2 O4 Ru1 . . 123.13(15)
C2 O5 Ru4 . . 128.88(14)
C2 O5 Ru2 . . 128.24(14)
Ru4 O5 Ru2 . . 97.15(7)
C2 O6 Ru3 . . 122.70(14)
C2 O6 Na1 . 2_566 125.69(14)
Ru3 O6 Na1 . 2_566 104.12(7)
C3 O7 Ru3 . . 120.64(14)
C3 O8 Ru6 . . 131.14(14)
C3 O8 Ru4 . . 131.36(14)
Ru6 O8 Ru4 . . 97.33(6)
C3 O9 Ru5 . . 121.82(14)
C3 O9 Na1 . . 118.16(13)
Ru5 O9 Na1 . . 92.72(6)
O4W Na1 O4W . 2_566 76.57(7)
O4W Na1 O3W . . 127.46(7)
O4W Na1 O3W 2_566 . 143.68(7)
O4W Na1 O2W . 2_566 138.52(7)
O4W Na1 O2W 2_566 2_566 86.28(6)
O3W Na1 O2W . 2_566 87.75(6)
O4W Na1 O6 . 2_566 82.32(6)
O4W Na1 O6 2_566 2_566 108.72(7)
O3W Na1 O6 . 2_566 101.95(6)
O2W Na1 O6 2_566 2_566 67.75(6)
O4W Na1 O9 . . 75.12(6)
O4W Na1 O9 2_566 . 98.94(6)
O3W Na1 O9 . . 67.97(6)
O2W Na1 O9 2_566 . 145.64(7)
O6 Na1 O9 2_566 . 138.92(7)
O4W Na1 O3 . . 127.57(6)
O4W Na1 O3 2_566 . 78.63(6)
O3W Na1 O3 . . 65.12(5)
O2W Na1 O3 2_566 . 84.01(6)
O6 Na1 O3 2_566 . 149.81(6)
O9 Na1 O3 . . 64.14(5)
O4W Na1 Ru5 . . 113.31(5)
O4W Na1 Ru5 2_566 . 109.03(5)
O3W Na1 Ru5 . . 40.23(4)
O2W Na1 Ru5 2_566 . 107.93(5)
O6 Na1 Ru5 2_566 . 141.58(5)
O9 Na1 Ru5 . . 38.24(4)
O3 Na1 Ru5 . . 37.96(4)
O4W Na1 Ru3 . 2_566 104.68(5)
O4W Na1 Ru3 2_566 2_566 88.44(5)
O3W Na1 Ru3 . 2_566 107.20(5)
O2W Na1 Ru3 2_566 2_566 36.47(4)
O6 Na1 Ru3 2_566 2_566 34.62(4)
O9 Na1 Ru3 . 2_566 172.28(5)
O3 Na1 Ru3 . 2_566 120.04(5)
Ru5 Na1 Ru3 . 2_566 140.78(3)
O4W Na1 Na1 . 2_566 38.47(4)
O4W Na1 Na1 2_566 2_566 38.10(4)
O3W Na1 Na1 . 2_566 154.31(6)
O2W Na1 Na1 2_566 2_566 115.71(6)
O6 Na1 Na1 2_566 2_566 96.92(5)
O9 Na1 Na1 . 2_566 86.36(5)
O3 Na1 Na1 . 2_566 105.11(5)
Ru5 Na1 Na1 . 2_566 117.36(4)
Ru3 Na1 Na1 2_566 2_566 98.24(3)
O4W Na1 H5W . . 138.9
O4W Na1 H5W 2_566 . 139.2
O3W Na1 H5W . . 12.3
O2W Na1 H5W 2_566 . 75.5
O6 Na1 H5W 2_566 . 97.8
O9 Na1 H5W . . 78.8
O3 Na1 H5W . . 63.6
Ru5 Na1 H5W . . 46.9
Ru3 Na1 H5W 2_566 . 97.1
Na1 Na1 H5W 2_566 . 164.2
O22 P1 C22 . . 112.18(11)
O22 P1 C28 . . 110.59(11)
C22 P1 C28 . . 107.91(12)
O22 P1 C16 . . 110.62(11)
C22 P1 C16 . . 107.53(11)
C28 P1 C16 . . 107.84(12)
O23 P2 C34 . . 110.85(11)
O23 P2 C40 . . 111.64(11)
C34 P2 C40 . . 106.87(11)
O23 P2 C46 . . 112.83(11)
C34 P2 C46 . . 108.21(11)
C40 P2 C46 . . 106.13(11)
O24 P3 C58 . . 112.75(12)
O24 P3 C52 . . 109.14(12)
C58 P3 C52 . . 107.31(12)
O24 P3 C64 . . 110.17(11)
C58 P3 C64 . . 108.24(12)
C52 P3 C64 . . 109.13(14)
C5 Ru1 C4 . . 87.96(11)
C5 Ru1 O4 . . 96.50(9)
C4 Ru1 O4 . . 175.54(9)
C5 Ru1 O1 . . 176.14(9)
C4 Ru1 O1 . . 93.04(9)
O4 Ru1 O1 . . 82.52(7)
C5 Ru1 O1W . . 99.68(9)
C4 Ru1 O1W . . 101.81(9)
O4 Ru1 O1W . . 77.45(6)
O1 Ru1 O1W . . 83.77(6)
C5 Ru1 Ru2 . . 89.62(8)
C4 Ru1 Ru2 . . 94.12(8)
O4 Ru1 Ru2 . . 85.98(5)
O1 Ru1 Ru2 . . 86.59(4)
O1W Ru1 Ru2 . . 161.76(4)
C6 Ru2 C7 . . 87.90(11)
C6 Ru2 O2 . . 93.33(9)
C7 Ru2 O2 . . 176.96(10)
C6 Ru2 O5 . . 179.89(9)
C7 Ru2 O5 . . 92.20(9)
O2 Ru2 O5 . . 86.57(6)
C6 Ru2 Ru1 . . 98.76(8)
C7 Ru2 Ru1 . . 101.85(8)
O2 Ru2 Ru1 . . 80.72(4)
O5 Ru2 Ru1 . . 81.25(4)
C6 Ru2 Ru6 . . 93.02(8)
C7 Ru2 Ru6 . . 135.35(8)
O2 Ru2 Ru6 . . 41.84(4)
O5 Ru2 Ru6 . . 86.88(4)
Ru1 Ru2 Ru6 . . 121.993(8)
C6 Ru2 Ru4 . . 138.61(8)
C7 Ru2 Ru4 . . 91.04(8)
O2 Ru2 Ru4 . . 86.20(5)
O5 Ru2 Ru4 . . 41.36(4)
Ru1 Ru2 Ru4 . . 121.837(8)
Ru6 Ru2 Ru4 . . 60.178(6)
C9 Ru3 C8 . . 87.62(10)
C9 Ru3 O6 . . 93.68(9)
C8 Ru3 O6 . . 178.65(8)
C9 Ru3 O7 . . 175.51(8)
C8 Ru3 O7 . . 95.61(8)
O6 Ru3 O7 . . 83.08(6)
C9 Ru3 O2W . . 104.56(8)
C8 Ru3 O2W . . 101.73(8)
O6 Ru3 O2W . . 78.27(6)
O7 Ru3 O2W . . 77.89(6)
C9 Ru3 Ru4 . . 89.78(7)
C8 Ru3 Ru4 . . 93.63(7)
O6 Ru3 Ru4 . . 86.04(4)
O7 Ru3 Ru4 . . 86.90(4)
O2W Ru3 Ru4 . . 159.26(4)
C9 Ru3 Na1 . 2_566 115.54(8)
C8 Ru3 Na1 . 2_566 138.25(7)
O6 Ru3 Na1 . 2_566 41.26(5)
O7 Ru3 Na1 . 2_566 63.77(5)
O2W Ru3 Na1 . 2_566 41.09(4)
Ru4 Ru3 Na1 . 2_566 119.088(17)
C11 Ru4 C10 . . 87.91(10)
C11 Ru4 O8 . . 177.05(9)
C10 Ru4 O8 . . 94.67(8)
C11 Ru4 O5 . . 93.31(8)
C10 Ru4 O5 . . 178.10(9)
O8 Ru4 O5 . . 84.15(6)
C11 Ru4 Ru3 . . 100.62(8)
C10 Ru4 Ru3 . . 97.05(8)
O8 Ru4 Ru3 . . 80.51(4)
O5 Ru4 Ru3 . . 81.31(4)
C11 Ru4 Ru6 . . 137.16(8)
C10 Ru4 Ru6 . . 93.79(7)
O8 Ru4 Ru6 . . 41.33(4)
O5 Ru4 Ru6 . . 86.30(5)
Ru3 Ru4 Ru6 . . 121.525(8)
C11 Ru4 Ru2 . . 93.34(8)
C10 Ru4 Ru2 . . 139.92(8)
O8 Ru4 Ru2 . . 83.77(4)
O5 Ru4 Ru2 . . 41.49(4)
Ru3 Ru4 Ru2 . . 121.902(8)
Ru6 Ru4 Ru2 . . 59.379(6)
C12 Ru5 C13 . . 87.47(11)
C12 Ru5 O3 . . 95.29(9)
C13 Ru5 O3 . . 176.62(9)
C12 Ru5 O9 . . 177.88(9)
C13 Ru5 O9 . . 94.44(9)
O3 Ru5 O9 . . 82.77(6)
C12 Ru5 O3W . . 100.85(9)
C13 Ru5 O3W . . 103.25(9)
O3 Ru5 O3W . . 78.18(6)
O9 Ru5 O3W . . 79.60(6)
C12 Ru5 Ru6 . . 92.51(8)
C13 Ru5 Ru6 . . 91.47(8)
O3 Ru5 Ru6 . . 86.47(4)
O9 Ru5 Ru6 . . 86.55(4)
O3W Ru5 Ru6 . . 160.42(4)
C12 Ru5 Na1 . . 130.10(8)
C13 Ru5 Na1 . . 127.77(8)
O3 Ru5 Na1 . . 51.36(5)
O9 Ru5 Na1 . . 49.04(5)
O3W Ru5 Na1 . . 43.74(4)
Ru6 Ru5 Na1 . . 116.770(17)
C14 Ru6 C15 . . 87.54(11)
C14 Ru6 O2 . . 94.56(9)
C15 Ru6 O2 . . 177.67(9)
C14 Ru6 O8 . . 178.02(9)
C15 Ru6 O8 . . 94.43(9)
O2 Ru6 O8 . . 83.46(7)
C14 Ru6 Ru5 . . 98.40(8)
C15 Ru6 Ru5 . . 99.62(8)
O2 Ru6 Ru5 . . 81.07(4)
O8 Ru6 Ru5 . . 81.13(4)
C14 Ru6 Ru2 . . 94.01(8)
C15 Ru6 Ru2 . . 136.98(8)
O2 Ru6 Ru2 . . 41.96(4)
O8 Ru6 Ru2 . . 84.65(4)
Ru5 Ru6 Ru2 . . 122.503(9)
C14 Ru6 Ru4 . . 138.88(8)
C15 Ru6 Ru4 . . 91.27(8)
O2 Ru6 Ru4 . . 86.49(5)
O8 Ru6 Ru4 . . 41.34(4)
Ru5 Ru6 Ru4 . . 122.240(9)
Ru2 Ru6 Ru4 . . 60.443(7)
Ru1 O1W H1W . . 121.5
Ru1 O1W H2W . . 120.9
H1W O1W H2W . . 107.9
Ru3 O2W Na1 . 2_566 102.44(6)
Ru3 O2W H3W . . 121.8
Na1 O2W H3W 2_566 . 105.6
Ru3 O2W H4W . . 111.2
Na1 O2W H4W 2_566 . 115.5
H3W O2W H4W . . 100.9
Ru5 O3W Na1 . . 96.03(6)
Ru5 O3W H5W . . 113.2
Na1 O3W H5W . . 108.2
Na1 O4W Na1 . 2_566 103.43(7)
Na1 O4W H6W . . 106.4
Na1 O4W H6W 2_566 . 89.7
Na1 O4W H7W . . 117.0
Na1 O4W H7W 2_566 . 125.6
H6W O4W H7W . . 110.2
H8W O5W H9W . . 108.0
H10W O6W H11W . . 101.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O3 . 1.264(3)
C1 O1 . 1.281(3)
C1 O2 . 1.304(3)
C2 O4 . 1.271(3)
C2 O6 . 1.274(3)
C2 O5 . 1.302(3)
C3 O7 . 1.273(3)
C3 O9 . 1.281(3)
C3 O8 . 1.299(3)
C4 O10 . 1.147(3)
C4 Ru1 . 1.839(3)
C5 O11 . 1.146(3)
C5 Ru1 . 1.836(2)
C6 O12 . 1.147(3)
C6 Ru2 . 1.836(3)
C7 O13 . 1.144(3)
C7 Ru2 . 1.850(2)
C8 O14 . 1.153(3)
C8 Ru3 . 1.841(2)
C9 O15 . 1.151(3)
C9 Ru3 . 1.834(2)
C10 O16 . 1.146(3)
C10 Ru4 . 1.853(2)
C11 O17 . 1.144(3)
C11 Ru4 . 1.849(2)
C12 O18 . 1.152(3)
C12 Ru5 . 1.832(3)
C13 O19 . 1.147(3)
C13 Ru5 . 1.843(2)
C14 O20 . 1.147(3)
C14 Ru6 . 1.844(3)
C15 O21 . 1.153(3)
C15 Ru6 . 1.846(3)
C16 C17 . 1.398(3)
C16 C21 . 1.400(4)
C16 P1 . 1.807(2)
C17 C18 . 1.392(4)
C17 H17 . 0.95
C18 C19 . 1.389(4)
C18 H18 . 0.95
C19 C20 . 1.387(4)
C19 H19 . 0.95
C20 C21 . 1.390(4)
C20 H20 . 0.95
C21 H21 . 0.95
C22 C27 . 1.397(3)
C22 C23 . 1.402(3)
C22 P1 . 1.797(2)
C23 C24 . 1.389(3)
C23 H23 . 0.95
C24 C25 . 1.389(4)
C24 H24 . 0.95
C25 C26 . 1.380(4)
C25 H25 . 0.95
C26 C27 . 1.394(3)
C26 H26 . 0.95
C27 H27 . 0.95
C28 C33 . 1.389(4)
C28 C29 . 1.393(4)
C28 P1 . 1.801(3)
C29 C30 . 1.387(4)
C29 H29 . 0.95
C30 C31 . 1.379(5)
C30 H30 . 0.95
C31 C32 . 1.374(5)
C31 H31 . 0.95
C32 C33 . 1.388(4)
C32 H32 . 0.95
C33 H33 . 0.95
C34 C39 . 1.395(3)
C34 C35 . 1.396(3)
C34 P2 . 1.796(2)
C35 C36 . 1.395(4)
C35 H35 . 0.95
C36 C37 . 1.378(4)
C36 H36 . 0.95
C37 C38 . 1.386(4)
C37 H37 . 0.95
C38 C39 . 1.387(4)
C38 H38 . 0.95
C39 H39 . 0.95
C40 C45 . 1.394(3)
C40 C41 . 1.396(3)
C40 P2 . 1.799(3)
C41 C42 . 1.385(4)
C41 H41 . 0.95
C42 C43 . 1.394(4)
C42 H42 . 0.95
C43 C44 . 1.382(4)
C43 H43 . 0.95
C44 C45 . 1.392(4)
C44 H44 . 0.95
C45 H45 . 0.95
C46 C51 . 1.393(4)
C46 C47 . 1.396(4)
C46 P2 . 1.804(2)
C47 C48 . 1.393(4)
C47 H47 . 0.95
C48 C49 . 1.383(4)
C48 H48 . 0.95
C49 C50 . 1.376(5)
C49 H49 . 0.95
C50 C51 . 1.387(4)
C50 H50 . 0.95
C51 H51 . 0.95
C52 C53 . 1.385(4)
C52 C57 . 1.398(5)
C52 P3 . 1.797(3)
C53 C54 . 1.418(6)
C53 H53 . 0.95
C54 C55 . 1.384(8)
C54 H54 . 0.95
C55 C56 . 1.356(7)
C55 H55 . 0.95
C56 C57 . 1.388(4)
C56 H56 . 0.95
C57 H57 . 0.95
C58 C63 . 1.393(4)
C58 C59 . 1.401(4)
C58 P3 . 1.796(3)
C59 C60 . 1.390(4)
C59 H59 . 0.95
C60 C61 . 1.384(5)
C60 H60 . 0.95
C61 C62 . 1.379(5)
C61 H61 . 0.95
C62 C63 . 1.393(4)
C62 H62 . 0.95
C63 H63 . 0.95
C64 C65 . 1.385(4)
C64 C69 . 1.393(4)
C64 P3 . 1.804(3)
C65 C66 . 1.392(4)
C65 H65 . 0.95
C66 C67 . 1.384(4)
C66 H66 . 0.95
C67 C68 . 1.374(6)
C67 H67 . 0.95
C68 C69 . 1.386(5)
C68 H68 . 0.95
C69 H69 . 0.95
C70 C75 . 1.385(5)
C70 C71 . 1.401(6)
C70 C76 . 1.497(6)
C71 C72 . 1.382(7)
C71 H71 . 0.95
C72 C73 . 1.364(7)
C72 H72 . 0.95
C73 C74 . 1.388(7)
C73 H73 . 0.95
C74 C75 . 1.401(6)
C74 H74 . 0.95
C75 H75 . 0.95
C76 H76A . 0.98
C76 H76B . 0.98
C76 H76C . 0.98
O1 Ru1 . 2.1553(16)
O2 Ru6 . 2.0925(16)
O2 Ru2 . 2.0971(16)
O3 Ru5 . 2.1398(16)
O3 Na1 . 2.7170(19)
O4 Ru1 . 2.1244(17)
O5 Ru4 . 2.0993(16)
O5 Ru2 . 2.1045(16)
O6 Ru3 . 2.1352(16)
O6 Na1 2_566 2.4783(19)
O7 Ru3 . 2.1563(15)
O8 Ru6 . 2.0933(16)
O8 Ru4 . 2.0939(15)
O9 Ru5 . 2.1555(16)
O9 Na1 . 2.6295(19)
O22 P1 . 1.5027(17)
O23 P2 . 1.5050(17)
O24 P3 . 1.5054(18)
Na1 O4W . 2.3736(19)
Na1 O4W 2_566 2.3933(19)
Na1 O3W . 2.4183(18)
Na1 O2W 2_566 2.4532(18)
Na1 O6 2_566 2.4783(19)
Na1 Ru5 . 3.4783(10)
Na1 Ru3 2_566 3.6447(10)
Na1 Na1 2_566 3.7416(18)
Na1 H5W . 2.6668
Ru1 O1W . 2.2503(16)
Ru1 Ru2 . 2.6797(3)
Ru2 Ru6 . 3.1185(3)
Ru2 Ru4 . 3.1522(3)
Ru3 O2W . 2.2185(16)
Ru3 Ru4 . 2.6710(3)
Ru3 Na1 2_566 3.6447(10)
Ru4 Ru6 . 3.1439(3)
Ru5 O3W . 2.2591(16)
Ru5 Ru6 . 2.6746(3)
O1W H1W . 0.7671
O1W H2W . 0.7884
O2W Na1 2_566 2.4532(18)
O2W H3W . 0.8511
O2W H4W . 0.7155
O3W H5W . 0.5986
O4W Na1 2_566 2.3932(19)
O4W H6W . 0.7538
O4W H7W . 0.7703
O5W H8W . 0.815
O5W H9W . 0.775
O6W H10W . 0.801
O6W H11W . 0.76
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_site_symmetry_4
_geom_torsion
C21 C16 C17 C18 . -2.7(4)
P1 C16 C17 C18 . 174.09(19)
C16 C17 C18 C19 . 2.7(4)
C17 C18 C19 C20 . 0.0(4)
C18 C19 C20 C21 . -2.7(4)
C19 C20 C21 C16 . 2.7(4)
C17 C16 C21 C20 . 0.0(4)
P1 C16 C21 C20 . -176.89(19)
C27 C22 C23 C24 . -2.7(4)
P1 C22 C23 C24 . 175.0(2)
C22 C23 C24 C25 . 0.7(4)
C23 C24 C25 C26 . 2.0(4)
C24 C25 C26 C27 . -2.8(4)
C25 C26 C27 C22 . 0.8(4)
C23 C22 C27 C26 . 1.9(4)
P1 C22 C27 C26 . -175.84(19)
C33 C28 C29 C30 . -0.9(5)
P1 C28 C29 C30 . -179.5(3)
C28 C29 C30 C31 . 0.8(6)
C29 C30 C31 C32 . -0.1(6)
C30 C31 C32 C33 . -0.5(6)
C31 C32 C33 C28 . 0.3(6)
C29 C28 C33 C32 . 0.3(5)
P1 C28 C33 C32 . 179.1(3)
C39 C34 C35 C36 . -1.4(4)
P2 C34 C35 C36 . -178.4(2)
C34 C35 C36 C37 . -0.1(4)
C35 C36 C37 C38 . 1.3(4)
C36 C37 C38 C39 . -1.1(4)
C37 C38 C39 C34 . -0.4(4)
C35 C34 C39 C38 . 1.6(4)
P2 C34 C39 C38 . 178.8(2)
C45 C40 C41 C42 . -0.5(4)
P2 C40 C41 C42 . 176.8(2)
C40 C41 C42 C43 . 0.0(4)
C41 C42 C43 C44 . -0.1(4)
C42 C43 C44 C45 . 0.8(4)
C43 C44 C45 C40 . -1.3(4)
C41 C40 C45 C44 . 1.2(4)
P2 C40 C45 C44 . -176.2(2)
C51 C46 C47 C48 . 0.3(5)
P2 C46 C47 C48 . 174.5(3)
C46 C47 C48 C49 . -0.5(5)
C47 C48 C49 C50 . 0.1(6)
C48 C49 C50 C51 . 0.5(6)
C49 C50 C51 C46 . -0.7(5)
C47 C46 C51 C50 . 0.3(4)
P2 C46 C51 C50 . -173.8(3)
C57 C52 C53 C54 . -1.3(5)
P3 C52 C53 C54 . 173.6(3)
C52 C53 C54 C55 . 0.7(5)
C53 C54 C55 C56 . -0.1(6)
C54 C55 C56 C57 . -0.1(6)
C55 C56 C57 C52 . -0.5(5)
C53 C52 C57 C56 . 1.2(4)
P3 C52 C57 C56 . -174.1(2)
C63 C58 C59 C60 . 0.5(4)
P3 C58 C59 C60 . -179.2(2)
C58 C59 C60 C61 . -0.9(5)
C59 C60 C61 C62 . 0.6(5)
C60 C61 C62 C63 . 0.1(5)
C59 C58 C63 C62 . 0.3(4)
P3 C58 C63 C62 . 179.9(2)
C61 C62 C63 C58 . -0.6(5)
C69 C64 C65 C66 . -1.1(4)
P3 C64 C65 C66 . -180.0(2)
C64 C65 C66 C67 . 0.1(5)
C65 C66 C67 C68 . 0.4(5)
C66 C67 C68 C69 . 0.1(7)
C67 C68 C69 C64 . -1.1(7)
C65 C64 C69 C68 . 1.6(6)
P3 C64 C69 C68 . -179.6(3)
C75 C70 C71 C72 . -0.8(6)
C76 C70 C71 C72 . 177.5(4)
C70 C71 C72 C73 . -1.4(8)
C71 C72 C73 C74 . 2.3(8)
C72 C73 C74 C75 . -1.0(7)
C71 C70 C75 C74 . 2.1(5)
C76 C70 C75 C74 . -176.3(3)
C73 C74 C75 C70 . -1.3(6)
O3 C1 O1 Ru1 . -168.44(16)
O2 C1 O1 Ru1 . 12.5(3)
O3 C1 O2 Ru6 . 9.0(3)
O1 C1 O2 Ru6 . -171.95(15)
O3 C1 O2 Ru2 . 165.88(15)
O1 C1 O2 Ru2 . -15.1(3)
O1 C1 O3 Ru5 . 178.55(16)
O2 C1 O3 Ru5 . -2.4(3)
O1 C1 O3 Na1 . 62.8(3)
O2 C1 O3 Na1 . -118.20(19)
O6 C2 O4 Ru1 . 167.81(15)
O5 C2 O4 Ru1 . -12.8(3)
O4 C2 O5 Ru4 . 167.42(15)
O6 C2 O5 Ru4 . -13.1(3)
O4 C2 O5 Ru2 . 20.4(3)
O6 C2 O5 Ru2 . -160.21(15)
O4 C2 O6 Ru3 . -179.12(15)
O5 C2 O6 Ru3 . 1.5(3)
O4 C2 O6 Na1 2_566 -34.2(3)
O5 C2 O6 Na1 2_566 146.36(15)
O9 C3 O7 Ru3 . 168.89(15)
O8 C3 O7 Ru3 . -12.9(3)
O7 C3 O8 Ru6 . 180.00(14)
O9 C3 O8 Ru6 . -1.8(3)
O7 C3 O8 Ru4 . 6.0(3)
O9 C3 O8 Ru4 . -175.77(14)
O7 C3 O9 Ru5 . -176.88(15)
O8 C3 O9 Ru5 . 4.9(3)
O7 C3 O9 Na1 . -63.6(2)
O8 C3 O9 Na1 . 118.23(18)
C27 C22 P1 O22 . -11.3(2)
C23 C22 P1 O22 . 171.0(2)
C27 C22 P1 C28 . 110.7(2)
C23 C22 P1 C28 . -67.0(2)
C27 C22 P1 C16 . -133.2(2)
C23 C22 P1 C16 . 49.1(2)
C33 C28 P1 O22 . -26.0(3)
C29 C28 P1 O22 . 152.7(2)
C33 C28 P1 C22 . -149.1(2)
C29 C28 P1 C22 . 29.6(3)
C33 C28 P1 C16 . 95.1(2)
C29 C28 P1 C16 . -86.3(3)
C17 C16 P1 O22 . 168.33(19)
C21 C16 P1 O22 . -14.8(2)
C17 C16 P1 C22 . -68.9(2)
C21 C16 P1 C22 . 108.0(2)
C17 C16 P1 C28 . 47.3(2)
C21 C16 P1 C28 . -135.86(19)
C39 C34 P2 O23 . 28.3(2)
C35 C34 P2 O23 . -154.6(2)
C39 C34 P2 C40 . -93.6(2)
C35 C34 P2 C40 . 83.5(2)
C39 C34 P2 C46 . 152.5(2)
C35 C34 P2 C46 . -30.4(2)
C45 C40 P2 O23 . -4.7(2)
C41 C40 P2 O23 . 177.95(19)
C45 C40 P2 C34 . 116.6(2)
C41 C40 P2 C34 . -60.7(2)
C45 C40 P2 C46 . -128.0(2)
C41 C40 P2 C46 . 54.6(2)
C51 C46 P2 O23 . 80.7(2)
C47 C46 P2 O23 . -93.4(2)
C51 C46 P2 C34 . -42.4(3)
C47 C46 P2 C34 . 143.6(2)
C51 C46 P2 C40 . -156.8(2)
C47 C46 P2 C40 . 29.2(3)
C63 C58 P3 O24 . 24.2(3)
C59 C58 P3 O24 . -156.1(2)
C63 C58 P3 C52 . 144.4(2)
C59 C58 P3 C52 . -35.9(3)
C63 C58 P3 C64 . -97.9(2)
C59 C58 P3 C64 . 81.7(2)
C53 C52 P3 O24 . -129.7(3)
C57 C52 P3 O24 . 45.5(2)
C53 C52 P3 C58 . 107.9(3)
C57 C52 P3 C58 . -77.0(2)
C53 C52 P3 C64 . -9.2(3)
C57 C52 P3 C64 . 165.9(2)
C65 C64 P3 O24 . 21.0(3)
C69 C64 P3 O24 . -157.8(3)
C65 C64 P3 C58 . 144.7(2)
C69 C64 P3 C58 . -34.1(3)
C65 C64 P3 C52 . -98.8(2)
C69 C64 P3 C52 . 82.4(3)
