#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:02:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179773 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/69/7006900.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_7006900
loop_
_publ_author_name
'Moberg, Viktor'
'Homanen, Pertti'
'Selva, Simona'
'Persson, Roger'
'Haukka, Matti'
'Pakkanen, Tapani A.'
'Monari, Magda'
'Nordlander, Ebbe'
_publ_section_title
;
 Synthesis, characterization and reactivity of tetranuclear ruthenium
 hydrido clusters containing chiral phosphine ligands.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              279
_journal_page_last               288
_journal_paper_doi               10.1039/b515273a
_journal_year                    2006
_chemical_formula_sum            'C88 H86 O24 P4 Ru8'
_chemical_formula_weight         2460.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 106.2960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.9624(5)
_cell_length_b                   19.8385(6)
_cell_length_c                   17.5353(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5329.8(3)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT+
_computing_molecular_graphics    'ORTEP-3 (Farrugia 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0765
_diffrn_reflns_av_sigmaI/netI    0.1136
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            57013
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    1.224
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2436
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.815
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1037
_refine_ls_number_reflns         23237
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      0.819
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0336P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                13706
_reflns_number_total             23237
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b515273a.txt
_cod_data_source_block           (H4Ru4(CO)10)(DIOP)2(H4Ru4(CO)10)_(6)
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7006900
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.45820(2) 0.736921(19) 0.44855(2) 0.04114(10) Uani 1 d D . .
Ru2 Ru 0.61165(2) 0.67527(2) 0.40953(2) 0.04332(10) Uani 1 d D . .
Ru3 Ru 0.59072(3) 0.68198(2) 0.57251(2) 0.05043(12) Uani 1 d D . .
Ru4 Ru 0.49139(3) 0.58911(2) 0.44735(2) 0.04776(11) Uani 1 d D . .
H1 H 0.5267(9) 0.7358(10) 0.3837(10) 0.040 Uiso 1 d D . .
H2 H 0.6624(11) 0.6973(18) 0.5121(7) 0.078 Uiso 1 d D . .
H3 H 0.4104(11) 0.6547(6) 0.431(3) 0.081 Uiso 1 d D . .
H4 H 0.559(2) 0.5969(8) 0.5475(11) 0.091 Uiso 1 d D . .
Ru5 Ru 0.57494(3) 0.79053(2) -0.01668(2) 0.04778(11) Uani 1 d D . .
Ru6 Ru 0.71095(3) 0.89795(2) 0.00349(2) 0.04828(11) Uani 1 d D . .
Ru7 Ru 0.59813(3) 0.87690(2) -0.14824(2) 0.05433(13) Uani 1 d D . .
Ru8 Ru 0.71644(3) 0.76554(2) -0.07679(2) 0.05797(13) Uani 1 d D . .
H5 H 0.6447(11) 0.8488(9) 0.0504(10) 0.042 Uiso 1 d D . .
H6 H 0.7764(12) 0.8286(8) -0.0126(16) 0.093 Uiso 1 d D . .
H7 H 0.5232(11) 0.8369(12) -0.1050(11) 0.083 Uiso 1 d D . .
H8 H 0.6547(15) 0.8037(10) -0.1666(10) 0.086 Uiso 1 d D . .
P1 P 0.33490(8) 0.75350(6) 0.33972(7) 0.0426(3) Uani 1 d . . .
P2 P 0.45504(9) 0.82900(7) 0.02457(7) 0.0467(4) Uani 1 d . . .
P3 P 0.71314(8) 0.75875(7) 0.40078(7) 0.0461(3) Uani 1 d . . .
P4 P 0.82664(9) 0.89578(7) 0.12154(8) 0.0522(4) Uani 1 d . . .
C1 C 0.4960(3) 0.8271(3) 0.4594(3) 0.0613(16) Uani 1 d . . .
O1 O 0.5210(3) 0.88151(18) 0.4654(2) 0.0832(14) Uani 1 d . . .
C2 C 0.3895(3) 0.7467(3) 0.5184(3) 0.0636(17) Uani 1 d . . .
O2 O 0.3477(2) 0.7529(2) 0.5599(2) 0.0921(15) Uani 1 d . . .
C3 C 0.6947(4) 0.6087(3) 0.4271(4) 0.0739(19) Uani 1 d . . .
O3 O 0.7478(3) 0.5664(2) 0.4405(3) 0.131(2) Uani 1 d . . .
C4 C 0.5704(4) 0.6602(3) 0.3011(3) 0.0685(17) Uani 1 d . . .
O4 O 0.5428(3) 0.6530(3) 0.2334(2) 0.1069(17) Uani 1 d . . .
C5 C 0.6148(3) 0.7714(3) 0.6064(3) 0.0704(19) Uani 1 d . . .
O5 O 0.6304(3) 0.8242(2) 0.6315(2) 0.0927(15) Uani 1 d . . .
C6 C 0.5190(4) 0.6739(3) 0.6406(3) 0.0723(18) Uani 1 d . . .
O6 O 0.4773(3) 0.6687(2) 0.6839(2) 0.0962(14) Uani 1 d . . .
C7 C 0.6914(4) 0.6422(3) 0.6395(3) 0.080(2) Uani 1 d . . .
O7 O 0.7566(3) 0.6240(3) 0.6835(3) 0.124(2) Uani 1 d . . .
C8 C 0.4369(3) 0.5708(3) 0.3399(3) 0.0553(15) Uani 1 d . . .
O8 O 0.4058(3) 0.5607(2) 0.2733(2) 0.0924(15) Uani 1 d . . .
C9 C 0.4067(4) 0.5457(3) 0.4899(3) 0.0684(19) Uani 1 d . . .
O9 O 0.3573(3) 0.5204(2) 0.5142(3) 0.1038(16) Uani 1 d . . .
C10 C 0.5636(4) 0.5124(3) 0.4513(3) 0.0706(19) Uani 1 d . . .
O10 O 0.6021(3) 0.4644(2) 0.4499(3) 0.1051(17) Uani 1 d . . .
C11 C 0.5075(4) 0.7244(3) -0.0800(3) 0.0730(19) Uani 1 d . . .
O11 O 0.4657(3) 0.6832(3) -0.1181(3) 0.1266(19) Uani 1 d . . .
C12 C 0.6165(4) 0.7365(3) 0.0706(3) 0.0708(17) Uani 1 d . . .
O12 O 0.6425(3) 0.7019(2) 0.1258(2) 0.1011(15) Uani 1 d . . .
C13 C 0.7738(4) 0.9576(3) -0.0434(3) 0.0643(18) Uani 1 d . . .
O13 O 0.8131(3) 0.9955(2) -0.0685(2) 0.0985(15) Uani 1 d . . .
C14 C 0.6455(4) 0.9696(3) 0.0353(3) 0.0657(18) Uani 1 d . . .
O14 O 0.6087(3) 1.0088(2) 0.0544(3) 0.0910(15) Uani 1 d . . .
C15 C 0.6742(4) 0.9141(3) -0.2038(3) 0.0678(18) Uani 1 d . . .
O15 O 0.7217(3) 0.9333(2) -0.2373(3) 0.0941(15) Uani 1 d . . .
C16 C 0.5502(4) 0.9604(3) -0.1366(3) 0.0663(18) Uani 1 d . . .
O16 O 0.5227(3) 1.0144(2) -0.1309(2) 0.0827(14) Uani 1 d . . .
C17 C 0.5083(4) 0.8517(3) -0.2433(3) 0.0721(19) Uani 1 d . . .
O17 O 0.4521(3) 0.8413(3) -0.2963(3) 0.123(2) Uani 1 d . . .
C18 C 0.6626(4) 0.6884(3) -0.1328(3) 0.087(2) Uani 1 d . . .
O18 O 0.6342(4) 0.6388(2) -0.1649(3) 0.124(2) Uani 1 d . . .
C19 C 0.7676(4) 0.7118(3) 0.0096(3) 0.0720(18) Uani 1 d . . .
O19 O 0.7980(3) 0.6767(2) 0.0648(2) 0.0936(15) Uani 1 d . . .
C20 C 0.8111(5) 0.7671(4) -0.1239(4) 0.098(2) Uani 1 d . . .
O20 O 0.8676(4) 0.7654(4) -0.1519(4) 0.181(3) Uani 1 d . . .
C21 C 0.26305(16) 0.67969(13) 0.31619(17) 0.0495(14) Uani 1 d G . .
C22 C 0.2326(2) 0.65354(17) 0.37699(17) 0.0624(17) Uani 1 d G . .
H22 H 0.2496 0.6730 0.4272 0.075 Uiso 1 calc R . .
C23 C 0.1768(2) 0.59831(18) 0.3627(3) 0.082(2) Uani 1 d G . .
H23 H 0.1565 0.5808 0.4034 0.098 Uiso 1 calc R . .
C24 C 0.1514(2) 0.56922(15) 0.2876(3) 0.089(2) Uani 1 d G . .
H24 H 0.1141 0.5323 0.2780 0.107 Uiso 1 calc R . .
C25 C 0.1818(2) 0.59537(18) 0.2268(2) 0.080(2) Uani 1 d G . .
H25 H 0.1648 0.5759 0.1765 0.096 Uiso 1 calc R . .
C26 C 0.2376(2) 0.65060(16) 0.24108(17) 0.0627(17) Uani 1 d G . .
H26 H 0.2580 0.6681 0.2004 0.075 Uiso 1 calc R . .
C27 C 0.25524(17) 0.81523(13) 0.35492(16) 0.0498(14) Uani 1 d G . .
C28 C 0.2805(2) 0.86792(15) 0.40872(18) 0.0596(16) Uani 1 d G . .
H28 H 0.3389 0.8730 0.4370 0.072 Uiso 1 calc R . .
C29 C 0.2186(3) 0.91304(16) 0.4202(2) 0.080(2) Uani 1 d G . .
H29 H 0.2355 0.9483 0.4562 0.096 Uiso 1 calc R . .
C30 C 0.1313(2) 0.90546(19) 0.3779(3) 0.093(2) Uani 1 d G . .
H30 H 0.0899 0.9356 0.3856 0.112 Uiso 1 calc R . .
C31 C 0.10604(17) 0.8528(2) 0.3241(3) 0.095(3) Uani 1 d G . .
H31 H 0.0477 0.8477 0.2959 0.115 Uiso 1 calc R . .
C32 C 0.16800(18) 0.80765(16) 0.31263(19) 0.074(2) Uani 1 d G . .
H32 H 0.1511 0.7724 0.2766 0.089 Uiso 1 calc R . .
C33 C 0.3496(3) 0.7752(2) 0.2418(3) 0.0477(14) Uani 1 d . . .
H33A H 0.3740 0.7367 0.2215 0.057 Uiso 1 calc R . .
H33B H 0.2931 0.7849 0.2050 0.057 Uiso 1 calc R . .
C34 C 0.4086(3) 0.8351(2) 0.2458(3) 0.0525(15) Uani 1 d . . .
H34 H 0.4684 0.8219 0.2741 0.063 Uiso 1 calc R . .
C35 C 0.4093(3) 0.8686(2) 0.1669(3) 0.0547(15) Uani 1 d . . .
H35 H 0.3526 0.8615 0.1278 0.066 Uiso 1 calc R . .
O34 O 0.3823(3) 0.88774(18) 0.2886(2) 0.0923(14) Uani 1 d . . .
O35 O 0.4186(3) 0.93910(17) 0.1884(2) 0.0776(13) Uani 1 d . . .
C36 C 0.4820(3) 0.8466(3) 0.1308(3) 0.0538(15) Uani 1 d . . .
H36A H 0.5086 0.8063 0.1587 0.065 Uiso 1 calc R . .
H36B H 0.5263 0.8815 0.1425 0.065 Uiso 1 calc R . .
C37 C 0.3774(4) 0.9508(3) 0.2484(3) 0.0721(19) Uani 1 d . . .
C38 C 0.4288(5) 1.0000(3) 0.3050(3) 0.105(3) Uani 1 d . . .
H38A H 0.4264 1.0430 0.2794 0.157 Uiso 1 calc R . .
H38B H 0.4883 0.9851 0.3231 0.157 Uiso 1 calc R . .
H38C H 0.4053 1.0041 0.3495 0.157 Uiso 1 calc R . .
C39 C 0.2813(5) 0.9699(4) 0.2129(4) 0.123(3) Uani 1 d . . .
H39A H 0.2521 0.9350 0.1774 0.184 Uiso 1 calc R . .
H39B H 0.2776 1.0116 0.1842 0.184 Uiso 1 calc R . .
H39C H 0.2540 0.9752 0.2549 0.184 Uiso 1 calc R . .
C40 C 0.36787(17) 0.76657(13) 0.01832(15) 0.0508(14) Uani 1 d G . .
C41 C 0.27999(18) 0.78111(15) -0.01498(17) 0.0692(18) Uani 1 d G . .
H41 H 0.2633 0.8231 -0.0377 0.083 Uiso 1 calc R . .
C42 C 0.21707(16) 0.7328(2) -0.0144(2) 0.076(2) Uani 1 d G . .
H42 H 0.1583 0.7426 -0.0367 0.092 Uiso 1 calc R . .
C43 C 0.2420(2) 0.67001(18) 0.0195(2) 0.0768(19) Uani 1 d G . .
H43 H 0.1999 0.6377 0.0199 0.092 Uiso 1 calc R . .
C44 C 0.3299(3) 0.65546(14) 0.0528(2) 0.0687(18) Uani 1 d G . .
H44 H 0.3466 0.6134 0.0754 0.082 Uiso 1 calc R . .
C45 C 0.39282(19) 0.70374(14) 0.05220(17) 0.0593(16) Uani 1 d G . .
H45 H 0.4516 0.6940 0.0745 0.071 Uiso 1 calc R . .
C46 C 0.39964(18) 0.90267(15) -0.02838(16) 0.0599(16) Uani 1 d G . .
C47 C 0.4019(2) 0.96563(17) 0.00693(19) 0.0735(19) Uani 1 d G . .
H47 H 0.4291 0.9708 0.0609 0.088 Uiso 1 calc R . .
C48 C 0.3636(3) 1.02079(15) -0.0385(3) 0.103(3) Uani 1 d G . .
H48 H 0.3651 1.0629 -0.0148 0.124 Uiso 1 calc R . .
C49 C 0.3230(3) 1.0130(2) -0.1192(3) 0.111(3) Uani 1 d G . .
H49 H 0.2973 1.0499 -0.1495 0.133 Uiso 1 calc R . .
C50 C 0.3207(2) 0.9500(2) -0.15448(18) 0.087(2) Uani 1 d G . .
H50 H 0.2935 0.9448 -0.2085 0.104 Uiso 1 calc R . .
C51 C 0.3590(2) 0.89487(19) -0.10909(17) 0.075(2) Uani 1 d G . .
H51 H 0.3575 0.8528 -0.1327 0.090 Uiso 1 calc R . .
C52 C 0.76471(17) 0.80233(16) 0.49429(14) 0.0553(16) Uani 1 d G . .
C53 C 0.8170(2) 0.76306(17) 0.55481(17) 0.0673(18) Uani 1 d G . .
H53 H 0.8279 0.7183 0.5452 0.081 Uiso 1 calc R . .
C54 C 0.8530(2) 0.7908(2) 0.62968(15) 0.082(2) Uani 1 d G . .
H54 H 0.8879 0.7645 0.6702 0.098 Uiso 1 calc R . .
C55 C 0.8367(2) 0.8577(2) 0.64403(17) 0.083(2) Uani 1 d G . .
H55 H 0.8608 0.8762 0.6941 0.099 Uiso 1 calc R . .
C56 C 0.7844(3) 0.89698(17) 0.5835(2) 0.089(2) Uani 1 d G . .
H56 H 0.7735 0.9418 0.5931 0.107 Uiso 1 calc R . .
C57 C 0.7484(2) 0.86928(16) 0.50864(19) 0.0642(16) Uani 1 d G . .
H57 H 0.7135 0.8956 0.4682 0.077 Uiso 1 calc R . .
C58 C 0.80724(16) 0.72877(15) 0.36875(16) 0.0524(15) Uani 1 d G . .
C59 C 0.89230(18) 0.75032(18) 0.40337(19) 0.083(2) Uani 1 d G . .
H59 H 0.9037 0.7820 0.4441 0.099 Uiso 1 calc R . .
C60 C 0.96030(16) 0.7245(2) 0.3771(3) 0.097(3) Uani 1 d G . .
H60 H 1.0172 0.7390 0.4003 0.117 Uiso 1 calc R . .
C61 C 0.9432(2) 0.6772(2) 0.3162(3) 0.102(2) Uani 1 d G . .
H61 H 0.9887 0.6600 0.2987 0.122 Uiso 1 calc R . .
C62 C 0.8582(3) 0.6557(2) 0.2816(2) 0.092(2) Uani 1 d G . .
H62 H 0.8468 0.6240 0.2409 0.111 Uiso 1 calc R . .
C63 C 0.7902(2) 0.68145(17) 0.30786(18) 0.0696(18) Uani 1 d G . .
H63 H 0.7333 0.6670 0.2847 0.083 Uiso 1 calc R . .
C64 C 0.6673(3) 0.8253(2) 0.3267(3) 0.0498(14) Uani 1 d . . .
H64A H 0.6465 0.8038 0.2752 0.060 Uiso 1 calc R . .
H64B H 0.6167 0.8441 0.3394 0.060 Uiso 1 calc R . .
C65 C 0.7258(3) 0.8839(3) 0.3181(3) 0.0559(15) Uani 1 d . . .
H65 H 0.7843 0.8788 0.3550 0.067 Uiso 1 calc R . .
C66 C 0.7310(3) 0.8967(3) 0.2343(3) 0.0560(15) Uani 1 d . . .
H66 H 0.6757 0.8846 0.1957 0.067 Uiso 1 calc R . .
O65 O 0.6852(3) 0.94453(17) 0.3347(2) 0.0865(13) Uani 1 d . . .
O66 O 0.7439(3) 0.96761(19) 0.2347(2) 0.1044(13) Uani 1 d . . .
C67 C 0.8058(3) 0.8629(2) 0.2130(3) 0.0529(15) Uani 1 d . . .
H67A H 0.7939 0.8150 0.2064 0.064 Uiso 1 calc R . .
H67B H 0.8583 0.8685 0.2567 0.064 Uiso 1 calc R . .
C68 C 0.7175(5) 0.9974(3) 0.2972(4) 0.108(2) Uani 1 d . . .
C69 C 0.7984(6) 1.0278(4) 0.3536(5) 0.168(4) Uani 1 d . . .
H69A H 0.8316 1.0508 0.3237 0.251 Uiso 1 calc R . .
H69B H 0.8333 0.9926 0.3846 0.251 Uiso 1 calc R . .
H69C H 0.7817 1.0592 0.3883 0.251 Uiso 1 calc R . .
C70 C 0.6453(5) 1.0465(4) 0.2631(5) 0.179(3) Uani 1 d . . .
H70A H 0.6117 1.0311 0.2117 0.269 Uiso 1 calc R . .
H70B H 0.6697 1.0899 0.2580 0.269 Uiso 1 calc R . .
H70C H 0.6083 1.0499 0.2976 0.269 Uiso 1 calc R . .
C71 C 0.8845(2) 0.97580(16) 0.15372(18) 0.0725(19) Uani 1 d G . .
C72 C 0.8410(2) 1.03698(18) 0.1355(2) 0.075(2) Uani 1 d G . .
H72 H 0.7839 1.0380 0.1031 0.089 Uiso 1 calc R . .
C73 C 0.8830(3) 1.09666(16) 0.1657(3) 0.098(3) Uani 1 d G . .
H73 H 0.8539 1.1376 0.1535 0.118 Uiso 1 calc R . .
C74 C 0.9684(3) 1.0952(2) 0.2142(3) 0.136(4) Uani 1 d G . .
H74 H 0.9965 1.1351 0.2344 0.164 Uiso 1 calc R . .
C75 C 1.0119(3) 1.0340(3) 0.2324(3) 0.162(4) Uani 1 d G . .
H75 H 1.0690 1.0330 0.2648 0.194 Uiso 1 calc R . .
C76 C 0.9699(2) 0.9743(2) 0.2022(2) 0.130(3) Uani 1 d G . .
H76 H 0.9990 0.9334 0.2144 0.156 Uiso 1 calc R . .
C77 C 0.91747(18) 0.84284(17) 0.11356(19) 0.0624(17) Uani 1 d G . .
C78 C 0.9369(2) 0.78162(17) 0.1532(2) 0.0633(17) Uani 1 d G . .
H78 H 0.9048 0.7672 0.1869 0.076 Uiso 1 calc R . .
C79 C 1.0044(3) 0.74191(18) 0.1423(3) 0.089(2) Uani 1 d G . .
H79 H 1.0174 0.7009 0.1688 0.106 Uiso 1 calc R . .
C80 C 1.0524(3) 0.7634(2) 0.0919(3) 0.109(3) Uani 1 d G . .
H80 H 1.0976 0.7368 0.0846 0.131 Uiso 1 calc R . .
C81 C 1.0330(3) 0.8246(3) 0.0523(3) 0.153(3) Uani 1 d G . .
H81 H 1.0651 0.8390 0.0185 0.183 Uiso 1 calc R . .
C82 C 0.9655(3) 0.8643(2) 0.0631(2) 0.141(3) Uani 1 d G . .
H82 H 0.9525 0.9053 0.0366 0.170 Uiso 1 calc R . .
C83 C 1.0006(10) 0.5212(6) 0.4981(7) 0.222 Uiso 0.728(4) d PD . .
H83A H 0.9559 0.5373 0.5206 0.332 Uiso 0.728(4) calc PR . .
H83B H 1.0340 0.5587 0.4880 0.332 Uiso 0.728(4) calc PR . .
H83C H 1.0382 0.4908 0.5347 0.332 Uiso 0.728(4) calc PR . .
C84 C 0.9582(9) 0.4843(5) 0.4200(7) 0.202 Uiso 0.728(4) d PD . .
H84A H 0.9054 0.5081 0.3920 0.243 Uiso 0.728(4) calc PR . .
H84B H 0.9978 0.4857 0.3869 0.243 Uiso 0.728(4) calc PR . .
C85 C 0.9367(8) 0.4153(5) 0.4306(7) 0.201 Uiso 0.728(4) d PD . .
H85A H 0.9153 0.4136 0.4772 0.242 Uiso 0.728(4) calc PR . .
H85B H 0.9909 0.3900 0.4435 0.242 Uiso 0.728(4) calc PR . .
C86 C 0.8742(9) 0.3789(5) 0.3674(8) 0.228 Uiso 0.728(4) d PD . .
H86A H 0.8940 0.3802 0.3200 0.274 Uiso 0.728(4) calc PR . .
H86B H 0.8184 0.4019 0.3556 0.274 Uiso 0.728(4) calc PR . .
C87 C 0.8618(10) 0.3087(5) 0.3867(8) 0.237 Uiso 0.728(4) d PD . .
H87A H 0.8222 0.3088 0.4198 0.284 Uiso 0.728(4) calc PR . .
H87B H 0.9176 0.2926 0.4197 0.284 Uiso 0.728(4) calc PR . .
C88 C 0.8290(10) 0.2574(6) 0.3245(8) 0.238 Uiso 0.728(4) d PD . .
H88A H 0.8581 0.2624 0.2837 0.358 Uiso 0.728(4) calc PR . .
H88B H 0.7673 0.2631 0.3018 0.358 Uiso 0.728(4) calc PR . .
H88C H 0.8404 0.2132 0.3475 0.358 Uiso 0.728(4) calc PR . .
C89 C 0.0477(8) 0.1108(5) 1.0479(7) 0.236 Uiso 0.864(4) d PD . .
H89A H -0.0077 0.0971 1.0542 0.353 Uiso 0.864(4) calc PR . .
H89B H 0.0387 0.1442 1.0068 0.353 Uiso 0.864(4) calc PR . .
H89C H 0.0830 0.1293 1.0969 0.353 Uiso 0.864(4) calc PR . .
C90 C 0.0930(7) 0.0509(6) 1.0255(6) 0.204 Uiso 0.864(4) d PD . .
H90A H 0.0944 0.0142 1.0624 0.245 Uiso 0.864(4) calc PR . .
H90B H 0.1526 0.0625 1.0275 0.245 Uiso 0.864(4) calc PR . .
C91 C 0.0434(8) 0.0300(5) 0.9426(6) 0.214 Uiso 0.864(4) d PD . .
H91A H -0.0156 0.0179 0.9421 0.257 Uiso 0.864(4) calc PR . .
H91B H 0.0398 0.0681 0.9072 0.257 Uiso 0.864(4) calc PR . .
C92 C 0.0815(8) -0.0245(5) 0.9138(6) 0.217 Uiso 0.864(4) d PD . .
H92A H 0.0908 -0.0587 0.9549 0.260 Uiso 0.864(4) calc PR . .
H92B H 0.1392 -0.0090 0.9139 0.260 Uiso 0.864(4) calc PR . .
C93 C 0.0496(9) -0.0596(5) 0.8417(6) 0.224 Uiso 0.864(4) d PD . .
H93A H 0.0679 -0.0345 0.8017 0.269 Uiso 0.864(4) calc PR . .
H93B H -0.0136 -0.0567 0.8276 0.269 Uiso 0.864(4) calc PR . .
C94 C 0.0716(8) -0.1306(5) 0.8333(8) 0.235 Uiso 0.864(4) d PD . .
H94A H 0.0837 -0.1369 0.7832 0.352 Uiso 0.864(4) calc PR . .
H94B H 0.0233 -0.1586 0.8356 0.352 Uiso 0.864(4) calc PR . .
H94C H 0.1221 -0.1426 0.8756 0.352 Uiso 0.864(4) calc PR . .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 C1 93.7(2) . . ?
C2 Ru1 P1 90.35(15) . . ?
C1 Ru1 P1 96.96(15) . . ?
C2 Ru1 Ru3 89.19(15) . . ?
C1 Ru1 Ru3 98.10(15) . . ?
P1 Ru1 Ru3 164.94(4) . . ?
C2 Ru1 Ru4 104.17(18) . . ?
C1 Ru1 Ru4 152.13(16) . . ?
P1 Ru1 Ru4 104.01(3) . . ?
Ru3 Ru1 Ru4 61.606(14) . . ?
C2 Ru1 Ru2 149.65(16) . . ?
C1 Ru1 Ru2 98.79(17) . . ?
P1 Ru1 Ru2 115.20(3) . . ?
Ru3 Ru1 Ru2 61.805(14) . . ?
Ru4 Ru1 Ru2 55.683(13) . . ?
C2 Ru1 H1 174.5(7) . . ?
C1 Ru1 H1 80.8(7) . . ?
P1 Ru1 H1 90.4(5) . . ?
Ru3 Ru1 H1 91.5(5) . . ?
Ru4 Ru1 H1 80.9(6) . . ?
Ru2 Ru1 H1 32.9(5) . . ?
C2 Ru1 H3 84.6(12) . . ?
C1 Ru1 H3 173.4(7) . . ?
P1 Ru1 H3 76.7(9) . . ?
Ru3 Ru1 H3 88.3(9) . . ?
Ru4 Ru1 H3 33.9(5) . . ?
Ru2 Ru1 H3 85.7(8) . . ?
H1 Ru1 H3 100.9(14) . . ?
C3 Ru2 C4 95.1(3) . . ?
C3 Ru2 P3 92.24(18) . . ?
C4 Ru2 P3 95.73(18) . . ?
C3 Ru2 Ru4 91.86(18) . . ?
C4 Ru2 Ru4 94.29(18) . . ?
P3 Ru2 Ru4 168.80(4) . . ?
C3 Ru2 Ru3 98.15(19) . . ?
C4 Ru2 Ru3 152.89(17) . . ?
P3 Ru2 Ru3 107.25(3) . . ?
Ru4 Ru2 Ru3 61.812(14) . . ?
C3 Ru2 Ru1 149.03(19) . . ?
C4 Ru2 Ru1 102.88(17) . . ?
P3 Ru2 Ru1 110.56(4) . . ?
Ru4 Ru2 Ru1 62.103(14) . . ?
Ru3 Ru2 Ru1 55.956(13) . . ?
C3 Ru2 H1 174.5(6) . . ?
C4 Ru2 H1 79.7(6) . . ?
P3 Ru2 H1 89.9(6) . . ?
Ru4 Ru2 H1 87.0(6) . . ?
Ru3 Ru2 H1 86.1(6) . . ?
Ru1 Ru2 H1 33.2(5) . . ?
C3 Ru2 H2 84.6(10) . . ?
C4 Ru2 H2 172.4(8) . . ?
P3 Ru2 H2 76.7(8) . . ?
Ru4 Ru2 H2 93.3(7) . . ?
Ru3 Ru2 H2 34.1(5) . . ?
Ru1 Ru2 H2 80.8(7) . . ?
H1 Ru2 H2 100.8(12) . . ?
C5 Ru3 C7 97.8(2) . . ?
C5 Ru3 C6 89.2(3) . . ?
C7 Ru3 C6 97.7(2) . . ?
C5 Ru3 Ru1 85.48(15) . . ?
C7 Ru3 Ru1 168.18(19) . . ?
C6 Ru3 Ru1 93.68(16) . . ?
C5 Ru3 Ru4 147.42(15) . . ?
C7 Ru3 Ru4 112.85(19) . . ?
C6 Ru3 Ru4 97.08(17) . . ?
Ru1 Ru3 Ru4 62.302(13) . . ?
C5 Ru3 Ru2 106.19(16) . . ?
C7 Ru3 Ru2 105.97(19) . . ?
C6 Ru3 Ru2 149.36(16) . . ?
Ru1 Ru3 Ru2 62.238(13) . . ?
Ru4 Ru3 Ru2 56.001(13) . . ?
C5 Ru3 H2 85.3(11) . . ?
C7 Ru3 H2 82.2(8) . . ?
C6 Ru3 H2 174.5(10) . . ?
Ru1 Ru3 H2 86.8(7) . . ?
Ru4 Ru3 H2 88.0(7) . . ?
Ru2 Ru3 H2 34.5(5) . . ?
C5 Ru3 H4 173.2(11) . . ?
C7 Ru3 H4 83.6(8) . . ?
C6 Ru3 H4 84.0(11) . . ?
Ru1 Ru3 H4 94.5(6) . . ?
Ru4 Ru3 H4 34.2(5) . . ?
Ru2 Ru3 H4 79.7(8) . . ?
H2 Ru3 H4 101.4(15) . . ?
C8 Ru4 C10 89.3(2) . . ?
C8 Ru4 C9 97.1(2) . . ?
C10 Ru4 C9 96.4(2) . . ?
C8 Ru4 Ru2 92.08(16) . . ?
C10 Ru4 Ru2 92.80(18) . . ?
C9 Ru4 Ru2 167.01(17) . . ?
C8 Ru4 Ru3 149.99(16) . . ?
C10 Ru4 Ru3 106.14(17) . . ?
C9 Ru4 Ru3 106.26(17) . . ?
Ru2 Ru4 Ru3 62.187(14) . . ?
C8 Ru4 Ru1 99.48(15) . . ?
C10 Ru4 Ru1 153.58(17) . . ?
C9 Ru4 Ru1 107.02(17) . . ?
Ru2 Ru4 Ru1 62.214(14) . . ?
Ru3 Ru4 Ru1 56.092(13) . . ?
C8 Ru4 H3 82.7(13) . . ?
C10 Ru4 H3 170.8(9) . . ?
C9 Ru4 H3 80.3(10) . . ?
Ru2 Ru4 H3 91.8(8) . . ?
Ru3 Ru4 H3 83.0(9) . . ?
Ru1 Ru4 H3 33.8(5) . . ?
C8 Ru4 H4 169.4(10) . . ?
C10 Ru4 H4 80.7(8) . . ?
C9 Ru4 H4 87.5(10) . . ?
Ru2 Ru4 H4 85.0(9) . . ?
Ru3 Ru4 H4 33.9(5) . . ?
Ru1 Ru4 H4 88.2(6) . . ?
H3 Ru4 H4 107.5(15) . . ?
C12 Ru5 C11 95.7(2) . . ?
C12 Ru5 P2 93.90(18) . . ?
C11 Ru5 P2 91.57(19) . . ?
C12 Ru5 Ru8 93.99(18) . . ?
C11 Ru5 Ru8 92.53(19) . . ?
P2 Ru5 Ru8 170.70(4) . . ?
C12 Ru5 Ru7 152.65(18) . . ?
C11 Ru5 Ru7 96.94(18) . . ?
P2 Ru5 Ru7 109.86(4) . . ?
Ru8 Ru5 Ru7 61.331(15) . . ?
C12 Ru5 Ru6 103.73(18) . . ?
C11 Ru5 Ru6 148.73(19) . . ?
P2 Ru5 Ru6 110.99(4) . . ?
Ru8 Ru5 Ru6 62.223(15) . . ?
Ru7 Ru5 Ru6 55.807(13) . . ?
C12 Ru5 H5 79.5(6) . . ?
C11 Ru5 H5 175.0(6) . . ?
P2 Ru5 H5 89.9(6) . . ?
Ru8 Ru5 H5 86.7(6) . . ?
Ru7 Ru5 H5 87.0(5) . . ?
Ru6 Ru5 H5 33.7(5) . . ?
C12 Ru5 H7 173.2(6) . . ?
C11 Ru5 H7 78.2(7) . . ?
P2 Ru5 H7 83.2(7) . . ?
Ru8 Ru5 H7 89.5(6) . . ?
Ru7 Ru5 H7 33.1(5) . . ?
Ru6 Ru5 H7 83.1(6) . . ?
H5 Ru5 H7 106.6(9) . . ?
C13 Ru6 C14 93.5(2) . . ?
C13 Ru6 P4 90.73(16) . . ?
C14 Ru6 P4 96.52(15) . . ?
C13 Ru6 Ru7 87.60(15) . . ?
C14 Ru6 Ru7 97.37(15) . . ?
P4 Ru6 Ru7 166.08(4) . . ?
C13 Ru6 Ru5 148.65(15) . . ?
C14 Ru6 Ru5 97.18(17) . . ?
P4 Ru6 Ru5 117.05(4) . . ?
Ru7 Ru6 Ru5 61.870(14) . . ?
C13 Ru6 Ru8 104.88(17) . . ?
C14 Ru6 Ru8 150.36(17) . . ?
P4 Ru6 Ru8 106.14(4) . . ?
Ru7 Ru6 Ru8 61.125(14) . . ?
Ru5 Ru6 Ru8 55.615(14) . . ?
C13 Ru6 H5 173.8(7) . . ?
C14 Ru6 H5 80.4(7) . . ?
P4 Ru6 H5 90.3(5) . . ?
Ru7 Ru6 H5 92.8(5) . . ?
Ru5 Ru6 H5 33.6(5) . . ?
Ru8 Ru6 H5 80.7(6) . . ?
C13 Ru6 H6 90.5(9) . . ?
C14 Ru6 H6 172.6(9) . . ?
P4 Ru6 H6 77.1(7) . . ?
Ru7 Ru6 H6 89.1(7) . . ?
Ru5 Ru6 H6 82.6(6) . . ?
Ru8 Ru6 H6 32.8(5) . . ?
H5 Ru6 H6 95.7(11) . . ?
C16 Ru7 C15 93.0(2) . . ?
C16 Ru7 C17 95.5(2) . . ?
C15 Ru7 C17 94.8(2) . . ?
C16 Ru7 Ru6 86.44(15) . . ?
C15 Ru7 Ru6 95.52(15) . . ?
C17 Ru7 Ru6 169.36(18) . . ?
C16 Ru7 Ru8 148.81(15) . . ?
C15 Ru7 Ru8 94.79(17) . . ?
C17 Ru7 Ru8 113.83(17) . . ?
Ru6 Ru7 Ru8 62.770(14) . . ?
C16 Ru7 Ru5 106.46(17) . . ?
C15 Ru7 Ru5 148.66(16) . . ?
C17 Ru7 Ru5 107.18(18) . . ?
Ru6 Ru7 Ru5 62.322(14) . . ?
Ru8 Ru7 Ru5 56.203(14) . . ?
C16 Ru7 H7 90.3(8) . . ?
C15 Ru7 H7 174.2(8) . . ?
C17 Ru7 H7 80.1(6) . . ?
Ru6 Ru7 H7 89.5(6) . . ?
Ru8 Ru7 H7 84.9(6) . . ?
Ru5 Ru7 H7 33.5(5) . . ?
C16 Ru7 H8 171.2(8) . . ?
C15 Ru7 H8 78.2(8) . . ?
C17 Ru7 H8 85.7(6) . . ?
Ru6 Ru7 H8 94.0(5) . . ?
Ru8 Ru7 H8 34.0(5) . . ?
Ru5 Ru7 H8 81.4(7) . . ?
H7 Ru7 H8 98.6(11) . . ?
C19 Ru8 C18 89.4(2) . . ?
C19 Ru8 C20 98.2(3) . . ?
C18 Ru8 C20 95.0(3) . . ?
C19 Ru8 Ru5 90.67(18) . . ?
C18 Ru8 Ru5 92.4(2) . . ?
C20 Ru8 Ru5 168.5(2) . . ?
C19 Ru8 Ru7 149.94(18) . . ?
C18 Ru8 Ru7 104.04(18) . . ?
C20 Ru8 Ru7 107.1(2) . . ?
Ru5 Ru8 Ru7 62.466(15) . . ?
C19 Ru8 Ru6 100.73(17) . . ?
C18 Ru8 Ru6 152.4(2) . . ?
C20 Ru8 Ru6 108.6(2) . . ?
Ru5 Ru8 Ru6 62.163(15) . . ?
Ru7 Ru8 Ru6 56.105(13) . . ?
C19 Ru8 H6 81.4(8) . . ?
C18 Ru8 H6 170.7(8) . . ?
C20 Ru8 H6 84.9(8) . . ?
Ru5 Ru8 H6 89.1(7) . . ?
Ru7 Ru8 H6 84.8(6) . . ?
Ru6 Ru8 H6 33.3(5) . . ?
C19 Ru8 H8 169.1(8) . . ?
C18 Ru8 H8 80.0(7) . . ?
C20 Ru8 H8 85.4(8) . . ?
Ru5 Ru8 H8 87.3(7) . . ?
Ru7 Ru8 H8 34.2(5) . . ?
Ru6 Ru8 H8 87.7(6) . . ?
H6 Ru8 H8 109.2(10) . . ?
C21 P1 C27 98.64(13) . . ?
C21 P1 C33 102.21(17) . . ?
C27 P1 C33 104.64(18) . . ?
C21 P1 Ru1 113.55(10) . . ?
C27 P1 Ru1 115.57(10) . . ?
C33 P1 Ru1 119.45(16) . . ?
C46 P2 C36 108.0(2) . . ?
C46 P2 C40 104.97(14) . . ?
C36 P2 C40 98.48(19) . . ?
C46 P2 Ru5 115.05(11) . . ?
C36 P2 Ru5 113.37(17) . . ?
C40 P2 Ru5 115.41(11) . . ?
C52 P3 C58 103.00(13) . . ?
C52 P3 C64 106.30(19) . . ?
C58 P3 C64 102.23(19) . . ?
C52 P3 Ru2 114.75(11) . . ?
C58 P3 Ru2 115.33(11) . . ?
C64 P3 Ru2 113.82(16) . . ?
C77 P4 C71 100.28(16) . . ?
C77 P4 C67 101.76(19) . . ?
C71 P4 C67 103.59(19) . . ?
C77 P4 Ru6 112.73(11) . . ?
C71 P4 Ru6 117.06(11) . . ?
C67 P4 Ru6 118.81(16) . . ?
O1 C1 Ru1 178.1(5) . . ?
O2 C2 Ru1 179.4(4) . . ?
O3 C3 Ru2 178.2(6) . . ?
O4 C4 Ru2 177.4(5) . . ?
O5 C5 Ru3 175.9(5) . . ?
O6 C6 Ru3 178.1(5) . . ?
O7 C7 Ru3 173.2(6) . . ?
O8 C8 Ru4 177.6(5) . . ?
O9 C9 Ru4 179.7(6) . . ?
O10 C10 Ru4 175.2(5) . . ?
O11 C11 Ru5 179.1(6) . . ?
O12 C12 Ru5 179.6(6) . . ?
O13 C13 Ru6 176.7(5) . . ?
O14 C14 Ru6 178.4(5) . . ?
O15 C15 Ru7 176.6(5) . . ?
O16 C16 Ru7 176.9(5) . . ?
O17 C17 Ru7 173.9(6) . . ?
O18 C18 Ru8 175.8(5) . . ?
O19 C19 Ru8 178.1(5) . . ?
O20 C20 Ru8 177.4(7) . . ?
C22 C21 C26 120.0 . . ?
C22 C21 P1 117.15(16) . . ?
C26 C21 P1 122.84(16) . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C28 C27 C32 120.0 . . ?
C28 C27 P1 121.24(15) . . ?
C32 C27 P1 118.75(15) . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C27 120.0 . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
C34 C33 P1 112.5(3) . . ?
C34 C33 H33A 109.1 . . ?
P1 C33 H33A 109.1 . . ?
C34 C33 H33B 109.1 . . ?
P1 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
O34 C34 C33 109.3(4) . . ?
O34 C34 C35 103.7(4) . . ?
C33 C34 C35 117.5(4) . . ?
O34 C34 H34 108.6 . . ?
C33 C34 H34 108.7 . . ?
C35 C34 H34 108.6 . . ?
O35 C35 C36 110.4(4) . . ?
O35 C35 C34 102.0(4) . . ?
C36 C35 C34 116.5(4) . . ?
O35 C35 H35 109.2 . . ?
C36 C35 H35 109.2 . . ?
C34 C35 H35 109.2 . . ?
C34 O34 C37 111.5(4) . . ?
C37 O35 C35 108.7(4) . . ?
C35 C36 P2 119.1(3) . . ?
C35 C36 H36A 107.5 . . ?
P2 C36 H36A 107.5 . . ?
C35 C36 H36B 107.5 . . ?
P2 C36 H36B 107.5 . . ?
H36A C36 H36B 107.0 . . ?
O35 C37 O34 104.6(4) . . ?
O35 C37 C38 109.0(5) . . ?
O34 C37 C38 107.8(4) . . ?
O35 C37 C39 111.3(5) . . ?
O34 C37 C39 109.1(6) . . ?
C38 C37 C39 114.6(5) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C45 120.0 . . ?
C41 C40 P2 122.79(14) . . ?
C45 C40 P2 117.14(14) . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C40 120.0 . . ?
C44 C45 H45 120.0 . . ?
C40 C45 H45 120.0 . . ?
C47 C46 C51 120.0 . . ?
C47 C46 P2 123.06(17) . . ?
C51 C46 P2 116.78(17) . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 C49 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 C46 120.0 . . ?
C50 C51 H51 120.0 . . ?
C46 C51 H51 120.0 . . ?
C53 C52 C57 120.0 . . ?
C53 C52 P3 116.20(16) . . ?
C57 C52 P3 123.58(16) . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C55 120.0 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 H55 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C57 C52 120.0 . . ?
C56 C57 H57 120.0 . . ?
C52 C57 H57 120.0 . . ?
C59 C58 C63 120.0 . . ?
C59 C58 P3 123.17(15) . . ?
C63 C58 P3 116.81(15) . . ?
C60 C59 C58 120.0 . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 C58 120.0 . . ?
C62 C63 H63 120.0 . . ?
C58 C63 H63 120.0 . . ?
C65 C64 P3 118.7(3) . . ?
C65 C64 H64A 107.6 . . ?
P3 C64 H64A 107.6 . . ?
C65 C64 H64B 107.6 . . ?
P3 C64 H64B 107.6 . . ?
H64A C64 H64B 107.1 . . ?
O65 C65 C66 102.0(4) . . ?
O65 C65 C64 107.1(4) . . ?
C66 C65 C64 115.2(4) . . ?
O65 C65 H65 110.7 . . ?
C66 C65 H65 110.7 . . ?
C64 C65 H65 110.7 . . ?
O66 C66 C67 108.5(4) . . ?
O66 C66 C65 102.0(4) . . ?
C67 C66 C65 115.5(4) . . ?
O66 C66 H66 110.2 . . ?
C67 C66 H66 110.2 . . ?
C65 C66 H66 110.2 . . ?
C68 O65 C65 106.5(4) . . ?
C68 O66 C66 110.1(4) . . ?
C66 C67 P4 114.1(3) . . ?
C66 C67 H67A 108.7 . . ?
P4 C67 H67A 108.7 . . ?
C66 C67 H67B 108.7 . . ?
P4 C67 H67B 108.7 . . ?
H67A C67 H67B 107.6 . . ?
O65 C68 O66 106.2(5) . . ?
O65 C68 C70 109.2(6) . . ?
O66 C68 C70 109.0(6) . . ?
O65 C68 C69 110.4(6) . . ?
O66 C68 C69 106.8(6) . . ?
C70 C68 C69 114.9(6) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 C76 120.0 . . ?
C72 C71 P4 120.45(18) . . ?
C76 C71 P4 119.33(18) . . ?
C73 C72 C71 120.0 . . ?
C73 C72 H72 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C73 C74 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 120.0 . . ?
C75 C76 H76 120.0 . . ?
C71 C76 H76 120.0 . . ?
C78 C77 C82 120.0 . . ?
C78 C77 P4 122.33(18) . . ?
C82 C77 P4 117.61(18) . . ?
C77 C78 C79 120.0 . . ?
C77 C78 H78 120.0 . . ?
C79 C78 H78 120.0 . . ?
C80 C79 C78 120.0 . . ?
C80 C79 H79 120.0 . . ?
C78 C79 H79 120.0 . . ?
C79 C80 C81 120.0 . . ?
C79 C80 H80 120.0 . . ?
C81 C80 H80 120.0 . . ?
C82 C81 C80 120.0 . . ?
C82 C81 H81 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C82 C77 120.0 . . ?
C81 C82 H82 120.0 . . ?
C77 C82 H82 120.0 . . ?
C84 C83 H83A 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C84 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 C83 113.6(10) . . ?
C85 C84 H84A 108.9 . . ?
C83 C84 H84A 108.9 . . ?
C85 C84 H84B 108.8 . . ?
C83 C84 H84B 108.8 . . ?
H84A C84 H84B 107.7 . . ?
C84 C85 C86 120.7(10) . . ?
C84 C85 H85A 107.1 . . ?
C86 C85 H85A 107.1 . . ?
C84 C85 H85B 107.2 . . ?
C86 C85 H85B 107.2 . . ?
H85A C85 H85B 106.8 . . ?
C85 C86 C87 113.9(10) . . ?
C85 C86 H86A 108.7 . . ?
C87 C86 H86A 108.8 . . ?
C85 C86 H86B 108.8 . . ?
C87 C86 H86B 108.8 . . ?
H86A C86 H86B 107.7 . . ?
C86 C87 C88 122.0(11) . . ?
C86 C87 H87A 106.8 . . ?
C88 C87 H87A 106.8 . . ?
C86 C87 H87B 106.8 . . ?
C88 C87 H87B 106.8 . . ?
H87A C87 H87B 106.7 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C87 C88 H88C 109.4 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 H89A 109.5 . . ?
C90 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C90 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C89 C90 C91 108.0(8) . . ?
C89 C90 H90A 110.1 . . ?
C91 C90 H90A 110.1 . . ?
C89 C90 H90B 110.1 . . ?
C91 C90 H90B 110.1 . . ?
H90A C90 H90B 108.4 . . ?
C92 C91 C90 113.4(9) . . ?
C92 C91 H91A 108.9 . . ?
C90 C91 H91A 108.9 . . ?
C92 C91 H91B 108.9 . . ?
C90 C91 H91B 108.9 . . ?
H91A C91 H91B 107.7 . . ?
C91 C92 C93 128.3(10) . . ?
C91 C92 H92A 105.2 . . ?
C93 C92 H92A 105.2 . . ?
C91 C92 H92B 105.2 . . ?
C93 C92 H92B 105.2 . . ?
H92A C92 H92B 105.9 . . ?
C92 C93 C94 121.8(10) . . ?
C92 C93 H93A 106.9 . . ?
C94 C93 H93A 106.9 . . ?
C92 C93 H93B 106.9 . . ?
C94 C93 H93B 106.9 . . ?
H93A C93 H93B 106.7 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
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 1.869(6) . ?
Ru1 C1 1.880(6) . ?
Ru1 P1 2.3486(12) . ?
Ru1 Ru3 2.7941(5) . ?
Ru1 Ru4 2.9808(6) . ?
Ru1 Ru2 2.9839(6) . ?
Ru1 H1 1.786(15) . ?
Ru1 H3 1.791(13) . ?
Ru2 C3 1.835(6) . ?
Ru2 C4 1.854(5) . ?
Ru2 P3 2.3517(14) . ?
Ru2 Ru4 2.7857(6) . ?
Ru2 Ru3 2.9719(5) . ?
Ru2 H1 1.773(14) . ?
Ru2 H2 1.807(14) . ?
Ru3 C5 1.876(6) . ?
Ru3 C7 1.877(6) . ?
Ru3 C6 1.879(6) . ?
Ru3 Ru4 2.9616(6) . ?
Ru3 H2 1.790(15) . ?
Ru3 H4 1.780(15) . ?
Ru4 C8 1.876(5) . ?
Ru4 C10 1.898(6) . ?
Ru4 C9 1.922(6) . ?
Ru4 H3 1.799(14) . ?
Ru4 H4 1.793(15) . ?
Ru5 C12 1.834(6) . ?
Ru5 C11 1.854(6) . ?
Ru5 P2 2.3550(15) . ?
Ru5 Ru8 2.7918(6) . ?
Ru5 Ru7 2.9790(6) . ?
Ru5 Ru6 2.9914(6) . ?
Ru5 H5 1.795(14) . ?
Ru5 H7 1.790(15) . ?
Ru6 C13 1.884(6) . ?
Ru6 C14 1.937(6) . ?
Ru6 P4 2.3563(13) . ?
Ru6 Ru7 2.7941(5) . ?
Ru6 Ru8 2.9931(6) . ?
Ru6 H5 1.798(15) . ?
Ru6 H6 1.797(15) . ?
Ru7 C16 1.861(6) . ?
Ru7 C15 1.906(6) . ?
Ru7 C17 1.936(6) . ?
Ru7 Ru8 2.9476(6) . ?
Ru7 H7 1.774(15) . ?
Ru7 H8 1.785(16) . ?
Ru8 C19 1.845(6) . ?
Ru8 C18 1.890(6) . ?
Ru8 C20 1.915(7) . ?
Ru8 H6 1.773(15) . ?
Ru8 H8 1.776(14) . ?
P1 C21 1.834(3) . ?
P1 C27 1.838(3) . ?
P1 C33 1.848(5) . ?
P2 C46 1.822(3) . ?
P2 C36 1.824(5) . ?
P2 C40 1.843(3) . ?
P3 C52 1.832(3) . ?
P3 C58 1.844(3) . ?
P3 C64 1.853(5) . ?
P4 C77 1.827(3) . ?
P4 C71 1.844(3) . ?
P4 C67 1.845(5) . ?
C1 O1 1.146(6) . ?
C2 O2 1.124(6) . ?
C3 O3 1.169(7) . ?
C4 O4 1.153(6) . ?
C5 O5 1.138(7) . ?
C6 O6 1.146(7) . ?
C7 O7 1.166(7) . ?
C8 O8 1.151(6) . ?
C9 O9 1.115(7) . ?
C10 O10 1.139(7) . ?
C11 O11 1.146(7) . ?
C12 O12 1.164(6) . ?
C13 O13 1.142(7) . ?
C14 O14 1.082(7) . ?
C15 O15 1.146(7) . ?
C16 O16 1.172(7) . ?
C17 O17 1.114(7) . ?
C18 O18 1.160(7) . ?
C19 O19 1.179(6) . ?
C20 O20 1.141(8) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 C31 1.3900 . ?
C30 H30 0.9300 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.506(7) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 O34 1.417(6) . ?
C34 C35 1.537(6) . ?
C34 H34 0.9800 . ?
C35 O35 1.445(6) . ?
C35 C36 1.533(7) . ?
C35 H35 0.9800 . ?
O34 C37 1.428(6) . ?
O35 C37 1.407(7) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.468(8) . ?
C37 C39 1.532(9) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 C41 1.3900 . ?
C40 C45 1.3900 . ?
C41 C42 1.3900 . ?
C41 H41 0.9300 . ?
C42 C43 1.3900 . ?
C42 H42 0.9300 . ?
C43 C44 1.3900 . ?
C43 H43 0.9300 . ?
C44 C45 1.3900 . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 C47 1.3900 . ?
C46 C51 1.3900 . ?
C47 C48 1.3900 . ?
C47 H47 0.9300 . ?
C48 C49 1.3900 . ?
C48 H48 0.9300 . ?
C49 C50 1.3900 . ?
C49 H49 0.9300 . ?
C50 C51 1.3900 . ?
C50 H50 0.9300 . ?
C51 H51 0.9300 . ?
C52 C53 1.3900 . ?
C52 C57 1.3900 . ?
C53 C54 1.3900 . ?
C53 H53 0.9300 . ?
C54 C55 1.3900 . ?
C54 H54 0.9300 . ?
C55 C56 1.3900 . ?
C55 H55 0.9300 . ?
C56 C57 1.3900 . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C58 C59 1.3900 . ?
C58 C63 1.3900 . ?
C59 C60 1.3900 . ?
C59 H59 0.9300 . ?
C60 C61 1.3900 . ?
C60 H60 0.9300 . ?
C61 C62 1.3900 . ?
C61 H61 0.9300 . ?
C62 C63 1.3900 . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C64 C65 1.524(7) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 O65 1.435(6) . ?
C65 C66 1.517(6) . ?
C65 H65 0.9800 . ?
C66 O66 1.422(6) . ?
C66 C67 1.504(7) . ?
C66 H66 0.9800 . ?
O65 C68 1.411(8) . ?
O66 C68 1.411(8) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 C70 1.499(10) . ?
C68 C69 1.515(10) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 C73 1.3900 . ?
C72 H72 0.9300 . ?
C73 C74 1.3900 . ?
C73 H73 0.9300 . ?
C74 C75 1.3900 . ?
C74 H74 0.9300 . ?
C75 C76 1.3900 . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C77 C78 1.3900 . ?
C77 C82 1.3900 . ?
C78 C79 1.3900 . ?
C78 H78 0.9300 . ?
C79 C80 1.3900 . ?
C79 H79 0.9300 . ?
C80 C81 1.3900 . ?
C80 H80 0.9300 . ?
C81 C82 1.3900 . ?
C81 H81 0.9300 . ?
C82 H82 0.9300 . ?
C83 C84 1.532(13) . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 C85 1.437(11) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 C86 1.458(12) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 C87 1.460(12) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C87 C88 1.476(13) . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 C90 1.498(12) . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C90 C91 1.505(11) . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?
C91 C92 1.403(11) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 C93 1.407(11) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C93 C94 1.469(12) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
