#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:21:42 +0100 (vie 25 de mar de 2016) $
#$Revision: 179812 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010863.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_7010863
loop_
_publ_author_name
'Wong, Wai-Yeung'
'Ting, Fai-Lung'
'Lam, Wai-Lim'
_publ_section_title
;
 A new family of phosphido-bridged dinuclear ruthenium carbonyl
 complexes: synthesis of
 [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)]
 and its reactivity towards terminal alkynes
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2981
_journal_paper_doi               10.1039/b104625j
_journal_year                    2001
_chemical_formula_sum            'C18 H9 O9 P Ru2'
_chemical_formula_weight         602.36
_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                103.0650(10)
_cell_angle_beta                 91.5900(10)
_cell_angle_gamma                91.3990(10)
_cell_formula_units_Z            6
_cell_length_a                   8.2392(4)
_cell_length_b                   17.7814(9)
_cell_length_c                   22.1160(11)
_cell_measurement_temperature    293(2)
_cell_volume                     3153.4(3)
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'Smart CCD'
_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  0.0150
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18438
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.559
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       0.00009(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     908
_refine_ls_number_reflns         13413
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.131
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[σ²(Fo²)+(0.0406P)²+0.5277P] where 
P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                11640
_reflns_number_total             13413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104625j.txt
_cod_data_source_block           wy0116wm
_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_original_sg_symbol_H-M      P-1
_cod_database_code               7010863
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 0.75831(2) 0.609698(11) 0.446415(9) 0.03497(5) Uani 1 1 d . . .
Ru2 Ru 0.96193(2) 0.573761(12) 0.346858(10) 0.03800(6) Uani 1 1 d . . .
Ru3 Ru 0.03584(3) 0.189685(13) 0.040110(10) 0.04032(6) Uani 1 1 d . . .
Ru4 Ru 0.25708(3) 0.293730(13) 0.008472(10) 0.04188(6) Uani 1 1 d . . .
Ru5 Ru 0.38332(2) 0.004442(11) 0.384379(9) 0.03249(5) Uani 1 1 d . . .
Ru6 Ru 0.16166(2) 0.054279(11) 0.306262(9) 0.03354(5) Uani 1 1 d . . .
P1 P 0.68393(8) 0.59076(4) 0.34117(3) 0.03507(14) Uani 1 1 d . . .
P2 P 0.44431(8) 0.05157(4) 0.29723(3) 0.03406(13) Uani 1 1 d . . .
P3 P -0.01918(8) 0.31107(4) 0.02125(3) 0.03842(15) Uani 1 1 d . . .
C1 C 0.6854(4) 0.50839(17) 0.44660(14) 0.0498(7) Uani 1 1 d . . .
C2 C 0.9021(4) 0.61437(19) 0.51886(15) 0.0553(7) Uani 1 1 d . . .
C3 C 0.5734(4) 0.66193(16) 0.48660(14) 0.0473(7) Uani 1 1 d . . .
C4 C 1.1621(4) 0.55212(18) 0.38817(14) 0.0511(7) Uani 1 1 d . . .
C5 C 0.9390(4) 0.46590(18) 0.30401(15) 0.0527(7) Uani 1 1 d . . .
C6 C 1.0442(4) 0.6112(2) 0.27957(16) 0.0591(8) Uani 1 1 d . . .
C7 C 0.1708(5) 0.1032(2) 0.04422(17) 0.0638(9) Uani 1 1 d . . .
C8 C -0.1508(4) 0.1642(2) 0.08374(16) 0.0618(8) Uani 1 1 d . . .
C9 C -0.0411(4) 0.13913(18) -0.04025(15) 0.0545(7) Uani 1 1 d . . .
C10 C 0.2346(4) 0.2949(2) -0.07830(16) 0.0613(8) Uani 1 1 d . . .
C11 C 0.3512(4) 0.3951(2) 0.03527(18) 0.0625(9) Uani 1 1 d . . .
C12 C 0.4536(4) 0.23449(19) -0.00504(15) 0.0547(7) Uani 1 1 d . . .
C13 C 0.4902(4) 0.09155(17) 0.44162(13) 0.0455(6) Uani 1 1 d . . .
C14 C 0.5518(3) -0.06529(16) 0.39187(13) 0.0434(6) Uani 1 1 d . . .
C15 C 0.2484(3) -0.01352(17) 0.45092(13) 0.0446(6) Uani 1 1 d . . .
C16 C 0.1776(4) 0.16155(17) 0.34023(14) 0.0494(7) Uani 1 1 d . . .
C17 C 0.0742(4) 0.05829(16) 0.22482(13) 0.0449(6) Uani 1 1 d . . .
C18 C -0.0385(4) 0.04639(17) 0.34927(14) 0.0474(6) Uani 1 1 d . . .
C19 C 0.5468(3) 0.51474(15) 0.30063(13) 0.0418(6) Uani 1 1 d . . .
C20 C 0.4434(6) 0.3966(2) 0.2770(2) 0.0848(13) Uani 1 1 d . . .
H20 H 0.453(6) 0.342(3) 0.283(2) 0.126(18) Uiso 1 1 d . . .
C21 C 0.3608(5) 0.4353(2) 0.2440(2) 0.0763(12) Uani 1 1 d . . .
H21 H 0.284(5) 0.417(2) 0.2172(18) 0.078(12) Uiso 1 1 d . . .
C22 C 0.4251(4) 0.5122(2) 0.25871(16) 0.0546(8) Uani 1 1 d . . .
H22 H 0.403(3) 0.5470(16) 0.2437(13) 0.032(8) Uiso 1 1 d . . .
C23 C 0.5958(3) 0.66868(16) 0.31394(13) 0.0447(6) Uani 1 1 d . . .
C24 C 0.4188(8) 0.7546(3) 0.3054(4) 0.106(2) Uani 1 1 d . . .
H24 H 0.325(8) 0.779(4) 0.329(3) 0.16(2) Uiso 1 1 d . . .
C25 C 0.5260(9) 0.7603(3) 0.2667(3) 0.115(3) Uani 1 1 d . . .
H25 H 0.548(7) 0.795(4) 0.242(3) 0.15(2) Uiso 1 1 d . . .
C26 C 0.6421(9) 0.7040(4) 0.2700(3) 0.0683(14) Uani 1 1 d . . .
H26 H 0.685(5) 0.697(3) 0.2558(18) 0.027(13) Uiso 1 1 d . . .
C27 C 0.9647(3) 0.68019(15) 0.41033(13) 0.0433(6) Uani 1 1 d . . .
C28 C 1.0740(5) 0.7715(2) 0.48876(19) 0.0689(10) Uani 1 1 d . . .
H28 H 1.171(5) 0.794(2) 0.5156(19) 0.092(13) Uiso 1 1 d . . .
C29 C 0.9245(5) 0.79251(18) 0.48228(17) 0.0599(8) Uani 1 1 d . . .
H29 H 0.877(5) 0.835(2) 0.5048(17) 0.075(11) Uiso 1 1 d . . .
C30 C 0.8481(4) 0.73482(15) 0.43115(14) 0.0448(6) Uani 1 1 d . . .
H30 H 0.756(4) 0.7440(17) 0.4064(14) 0.049(8) Uiso 1 1 d . . .
C31 C -0.1500(3) 0.32269(16) -0.04170(12) 0.0427(6) Uani 1 1 d . . .
C32 C -0.2629(4) 0.3741(2) -0.04777(16) 0.0560(8) Uani 1 1 d . . .
H32 H -0.291(4) 0.418(2) -0.0151(17) 0.070(11) Uiso 1 1 d . . .
C33 C -0.3296(5) 0.3517(3) -0.10927(18) 0.0690(10) Uani 1 1 d . . .
H33 H -0.407(4) 0.376(2) -0.1220(16) 0.064(10) Uiso 1 1 d . . .
C34 C -0.2535(5) 0.2898(3) -0.13640(17) 0.0722(10) Uani 1 1 d . . .
H34 H -0.252(5) 0.256(3) -0.175(2) 0.104(15) Uiso 1 1 d . . .
C35 C -0.0956(4) 0.38724(19) 0.08016(14) 0.0543(8) Uani 1 1 d . . .
C36 C -0.0399(7) 0.4600(2) 0.0962(2) 0.1058(18) Uani 1 1 d . . .
H36 H 0.0508 0.4825 0.0823 0.127 Uiso 1 1 calc R . .
C37 C -0.1566(14) 0.4950(5) 0.1406(4) 0.209(7) Uani 1 1 d . . .
H37 H -0.1540 0.5467 0.1614 0.251 Uiso 1 1 calc R . .
C38 C -0.2592(12) 0.4468(7) 0.1469(3) 0.209(6) Uani 1 1 d . . .
H38 H -0.3448 0.4578 0.1738 0.250 Uiso 1 1 calc R . .
C39 C 0.2510(4) 0.26760(16) 0.09528(13) 0.0468(6) Uani 1 1 d . . .
C40 C 0.3445(6) 0.2145(2) 0.17160(17) 0.0688(10) Uani 1 1 d . . .
H40 H 0.426(5) 0.192(2) 0.1863(19) 0.086(13) Uiso 1 1 d . . .
C41 C 0.1980(5) 0.2347(2) 0.18724(16) 0.0627(9) Uani 1 1 d . . .
H41 H 0.148(4) 0.232(2) 0.2217(17) 0.070(11) Uiso 1 1 d . . .
C42 C 0.1313(4) 0.26947(18) 0.13929(13) 0.0480(7) Uani 1 1 d . . .
H42 H 0.044(3) 0.3010(16) 0.1451(12) 0.035(7) Uiso 1 1 d . . .
C43 C 0.5714(3) 0.13704(15) 0.30378(12) 0.0395(6) Uani 1 1 d . . .
C44 C 0.6689(6) 0.2517(2) 0.3481(2) 0.0763(12) Uani 1 1 d . . .
H44 H 0.673(5) 0.288(3) 0.375(2) 0.094(16) Uiso 1 1 d . . .
C45 C 0.7490(5) 0.2301(2) 0.2972(2) 0.0671(10) Uani 1 1 d . . .
H45 H 0.823(5) 0.260(2) 0.283(2) 0.097(14) Uiso 1 1 d . . .
C46 C 0.6870(4) 0.15588(19) 0.26780(16) 0.0495(7) Uani 1 1 d . . .
H46 H 0.709(4) 0.1317(18) 0.2354(15) 0.050(10) Uiso 1 1 d . . .
C47 C 0.5256(3) -0.00533(16) 0.22742(12) 0.0412(6) Uani 1 1 d . . .
C48 C 0.5516(7) -0.0399(3) 0.12763(19) 0.0915(14) Uani 1 1 d . . .
H48 H 0.529(7) -0.036(3) 0.086(3) 0.15(2) Uiso 1 1 d . . .
C49 C 0.6549(6) -0.0791(3) 0.1518(2) 0.0854(14) Uani 1 1 d . . .
H49 H 0.714(6) -0.113(3) 0.133(2) 0.114(17) Uiso 1 1 d . . .
C50 C 0.6413(5) -0.0566(2) 0.2167(2) 0.0617(9) Uani 1 1 d . . .
H50 H 0.680(5) -0.062(2) 0.2403(16) 0.049(12) Uiso 1 1 d . . .
C51 C 0.2195(3) -0.06804(14) 0.32403(12) 0.0361(5) Uani 1 1 d . . .
C52 C 0.0008(4) -0.14847(18) 0.30213(17) 0.0548(8) Uani 1 1 d . . .
H52 H -0.079(4) -0.174(2) 0.3177(16) 0.068(10) Uiso 1 1 d . . .
C53 C 0.0418(4) -0.13570(18) 0.24838(17) 0.0533(8) Uani 1 1 d . . .
H53 H -0.010(4) -0.1575(18) 0.2122(15) 0.055(9) Uiso 1 1 d . . .
C54 C 0.1829(3) -0.08390(15) 0.26009(14) 0.0411(6) Uani 1 1 d . . .
H54 H 0.246(4) -0.0768(16) 0.2304(13) 0.040(8) Uiso 1 1 d . . .
O1 O 0.6416(4) 0.44813(14) 0.44736(12) 0.0796(8) Uani 1 1 d . . .
O2 O 0.9853(4) 0.61752(18) 0.56065(14) 0.0937(9) Uani 1 1 d . . .
O3 O 0.4643(3) 0.69196(14) 0.50887(13) 0.0735(7) Uani 1 1 d . . .
O4 O 1.2755(3) 0.53671(17) 0.41165(12) 0.0754(7) Uani 1 1 d . . .
O5 O 0.9324(4) 0.40246(14) 0.27931(14) 0.0843(8) Uani 1 1 d . . .
O6 O 1.0895(4) 0.6373(2) 0.24097(14) 0.1005(10) Uani 1 1 d . . .
O7 O 0.2521(4) 0.05293(17) 0.04526(17) 0.1060(11) Uani 1 1 d . . .
O8 O -0.2605(4) 0.1479(2) 0.10797(15) 0.1024(11) Uani 1 1 d . . .
O9 O -0.0868(4) 0.10597(16) -0.08803(12) 0.0894(9) Uani 1 1 d . . .
O10 O 0.2211(4) 0.2940(2) -0.12953(13) 0.1046(11) Uani 1 1 d . . .
O11 O 0.4059(4) 0.45529(16) 0.05336(18) 0.1011(10) Uani 1 1 d . . .
O12 O 0.5659(3) 0.19869(16) -0.01352(13) 0.0789(7) Uani 1 1 d . . .
O13 O 0.5474(3) 0.14042(13) 0.47858(11) 0.0717(7) Uani 1 1 d . . .
O14 O 0.6526(3) -0.10597(14) 0.39618(12) 0.0703(7) Uani 1 1 d . . .
O15 O 0.1719(3) -0.02389(16) 0.48972(11) 0.0728(7) Uani 1 1 d . . .
O16 O 0.1844(4) 0.22621(14) 0.35976(14) 0.0816(8) Uani 1 1 d . . .
O17 O 0.0208(3) 0.05986(15) 0.17762(11) 0.0710(7) Uani 1 1 d . . .
O18 O -0.1514(3) 0.04475(17) 0.37664(13) 0.0787(8) Uani 1 1 d . . .
O19 O 0.5608(3) 0.44341(12) 0.31327(12) 0.0700(7) Uani 1 1 d . . .
O20 O 0.4549(3) 0.69806(15) 0.33906(14) 0.0787(7) Uani 1 1 d . . .
O21 O 1.1052(3) 0.70320(13) 0.44734(11) 0.0603(6) Uani 1 1 d . . .
O22 O -0.1418(3) 0.26876(14) -0.09689(9) 0.0620(6) Uani 1 1 d . . .
O23 O -0.2348(4) 0.3728(3) 0.10930(15) 0.1203(13) Uani 1 1 d . . .
O24 O 0.3838(3) 0.23166(14) 0.11590(11) 0.0616(6) Uani 1 1 d . . .
O25 O 0.5575(3) 0.19591(13) 0.35450(10) 0.0664(6) Uani 1 1 d . . .
O26 O 0.4662(3) 0.00680(16) 0.17227(10) 0.0744(7) Uani 1 1 d . . .
O27 O 0.1021(2) -0.10887(11) 0.34939(9) 0.0470(5) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 C3 96.79(13) . . ?
C1 Ru1 C2 91.90(14) . . ?
C3 Ru1 C2 99.78(13) . . ?
C1 Ru1 P1 90.69(9) . . ?
C3 Ru1 P1 102.43(9) . . ?
C2 Ru1 P1 157.16(10) . . ?
C1 Ru1 C27 142.78(12) . . ?
C3 Ru1 C27 120.19(11) . . ?
C2 Ru1 C27 86.11(12) . . ?
P1 Ru1 C27 78.22(7) . . ?
C1 Ru1 C30 172.33(11) . . ?
C3 Ru1 C30 86.38(11) . . ?
C2 Ru1 C30 94.44(12) . . ?
P1 Ru1 C30 81.79(7) . . ?
C27 Ru1 C30 33.91(10) . . ?
C1 Ru1 Ru2 98.07(9) . . ?
C3 Ru1 Ru2 151.40(9) . . ?
C2 Ru1 Ru2 103.99(10) . . ?
P1 Ru1 Ru2 53.198(17) . . ?
C27 Ru1 Ru2 47.14(7) . . ?
C30 Ru1 Ru2 76.21(7) . . ?
C6 Ru2 C5 97.04(14) . . ?
C6 Ru2 C4 101.45(14) . . ?
C5 Ru2 C4 90.03(13) . . ?
C6 Ru2 C27 96.48(13) . . ?
C5 Ru2 C27 166.47(12) . . ?
C4 Ru2 C27 87.44(12) . . ?
C6 Ru2 P1 104.50(11) . . ?
C5 Ru2 P1 92.35(9) . . ?
C4 Ru2 P1 153.43(9) . . ?
C27 Ru2 P1 84.11(8) . . ?
C6 Ru2 Ru1 142.95(11) . . ?
C5 Ru2 Ru1 111.96(9) . . ?
C4 Ru2 Ru1 101.09(9) . . ?
C27 Ru2 Ru1 55.70(7) . . ?
P1 Ru2 Ru1 53.731(18) . . ?
C9 Ru3 C8 96.56(15) . . ?
C9 Ru3 C7 90.41(15) . . ?
C8 Ru3 C7 99.98(15) . . ?
C9 Ru3 P3 91.76(10) . . ?
C8 Ru3 P3 104.41(11) . . ?
C7 Ru3 P3 155.09(11) . . ?
C9 Ru3 C39 143.38(13) . . ?
C8 Ru3 C39 119.98(13) . . ?
C7 Ru3 C39 85.82(13) . . ?
P3 Ru3 C39 77.74(7) . . ?
C9 Ru3 C42 172.93(12) . . ?
C8 Ru3 C42 86.18(13) . . ?
C7 Ru3 C42 95.54(13) . . ?
P3 Ru3 C42 81.24(8) . . ?
C39 Ru3 C42 34.02(10) . . ?
C9 Ru3 Ru4 99.09(10) . . ?
C8 Ru3 Ru4 152.71(11) . . ?
C7 Ru3 Ru4 102.11(11) . . ?
P3 Ru3 Ru4 53.061(18) . . ?
C39 Ru3 Ru4 46.81(7) . . ?
C42 Ru3 Ru4 75.96(7) . . ?
C11 Ru4 C10 96.44(16) . . ?
C11 Ru4 C12 99.76(14) . . ?
C10 Ru4 C12 91.90(14) . . ?
C11 Ru4 C39 97.09(14) . . ?
C10 Ru4 C39 166.38(14) . . ?
C12 Ru4 C39 87.30(13) . . ?
C11 Ru4 P3 104.05(11) . . ?
C10 Ru4 P3 91.27(10) . . ?
C12 Ru4 P3 155.45(10) . . ?
C39 Ru4 P3 83.97(8) . . ?
C11 Ru4 Ru3 143.26(11) . . ?
C10 Ru4 Ru3 111.35(11) . . ?
C12 Ru4 Ru3 102.71(10) . . ?
C39 Ru4 Ru3 55.78(8) . . ?
P3 Ru4 Ru3 53.746(18) . . ?
C14 Ru5 C13 94.19(12) . . ?
C14 Ru5 C15 98.54(12) . . ?
C13 Ru5 C15 89.72(12) . . ?
C14 Ru5 C51 101.07(10) . . ?
C13 Ru5 C51 164.66(11) . . ?
C15 Ru5 C51 86.48(11) . . ?
C14 Ru5 P2 105.28(9) . . ?
C13 Ru5 P2 93.45(8) . . ?
C15 Ru5 P2 155.66(9) . . ?
C51 Ru5 P2 84.12(7) . . ?
C14 Ru5 Ru6 146.96(8) . . ?
C13 Ru5 Ru6 110.83(9) . . ?
C15 Ru5 Ru6 102.66(8) . . ?
C51 Ru5 Ru6 55.84(7) . . ?
P2 Ru5 Ru6 53.793(17) . . ?
C16 Ru6 C17 97.74(12) . . ?
C16 Ru6 C18 90.75(13) . . ?
C17 Ru6 C18 100.25(12) . . ?
C16 Ru6 P2 89.97(9) . . ?
C17 Ru6 P2 105.71(9) . . ?
C18 Ru6 P2 153.69(9) . . ?
C16 Ru6 C51 144.62(11) . . ?
C17 Ru6 C51 117.49(10) . . ?
C18 Ru6 C51 86.34(11) . . ?
P2 Ru6 C51 78.03(6) . . ?
C16 Ru6 C54 171.80(11) . . ?
C17 Ru6 C54 83.97(11) . . ?
C18 Ru6 C54 96.86(11) . . ?
P2 Ru6 C54 81.85(7) . . ?
C51 Ru6 C54 33.82(9) . . ?
C16 Ru6 Ru5 99.61(9) . . ?
C17 Ru6 Ru5 152.52(8) . . ?
C18 Ru6 Ru5 100.66(8) . . ?
P2 Ru6 Ru5 53.372(17) . . ?
C51 Ru6 Ru5 46.81(6) . . ?
C54 Ru6 Ru5 76.01(7) . . ?
C23 P1 C19 97.83(13) . . ?
C23 P1 Ru2 123.25(10) . . ?
C19 P1 Ru2 121.60(9) . . ?
C23 P1 Ru1 118.85(9) . . ?
C19 P1 Ru1 123.81(10) . . ?
Ru2 P1 Ru1 73.07(2) . . ?
C47 P2 C43 98.04(12) . . ?
C47 P2 Ru5 124.42(9) . . ?
C43 P2 Ru5 121.12(9) . . ?
C47 P2 Ru6 118.56(9) . . ?
C43 P2 Ru6 123.32(9) . . ?
Ru5 P2 Ru6 72.835(19) . . ?
C31 P3 C35 97.82(14) . . ?
C31 P3 Ru4 121.15(9) . . ?
C35 P3 Ru4 122.05(11) . . ?
C31 P3 Ru3 122.38(10) . . ?
C35 P3 Ru3 121.82(11) . . ?
Ru4 P3 Ru3 73.19(2) . . ?
O1 C1 Ru1 179.3(3) . . ?
O2 C2 Ru1 179.6(3) . . ?
O3 C3 Ru1 178.6(3) . . ?
O4 C4 Ru2 177.3(3) . . ?
O5 C5 Ru2 177.1(3) . . ?
O6 C6 Ru2 176.1(3) . . ?
O7 C7 Ru3 178.0(4) . . ?
O8 C8 Ru3 178.4(4) . . ?
O9 C9 Ru3 177.3(3) . . ?
O10 C10 Ru4 178.6(4) . . ?
O11 C11 Ru4 177.5(4) . . ?
O12 C12 Ru4 178.5(3) . . ?
O13 C13 Ru5 174.8(3) . . ?
O14 C14 Ru5 179.3(3) . . ?
O15 C15 Ru5 179.3(3) . . ?
O16 C16 Ru6 178.5(3) . . ?
O17 C17 Ru6 178.7(3) . . ?
O18 C18 Ru6 176.5(3) . . ?
C22 C19 O19 109.1(3) . . ?
C22 C19 P1 133.1(3) . . ?
O19 C19 P1 117.8(2) . . ?
C21 C20 O19 110.5(4) . . ?
C20 C21 C22 107.3(3) . . ?
C19 C22 C21 106.8(3) . . ?
C26 C23 O20 110.8(4) . . ?
C26 C23 P1 130.6(4) . . ?
O20 C23 P1 118.6(2) . . ?
C25 C24 O20 112.4(5) . . ?
C24 C25 C26 107.0(5) . . ?
C23 C26 C25 106.9(6) . . ?
C30 C27 O21 107.0(2) . . ?
C30 C27 Ru2 134.5(2) . . ?
O21 C27 Ru2 118.05(19) . . ?
C30 C27 Ru1 76.03(16) . . ?
O21 C27 Ru1 119.28(19) . . ?
Ru2 C27 Ru1 77.16(8) . . ?
C29 C28 O21 111.8(3) . . ?
C28 C29 C30 106.7(3) . . ?
C27 C30 C29 106.8(3) . . ?
C27 C30 Ru1 70.06(15) . . ?
C29 C30 Ru1 120.7(2) . . ?
C32 C31 O22 109.1(3) . . ?
C32 C31 P3 133.7(2) . . ?
O22 C31 P3 117.2(2) . . ?
C31 C32 C33 107.2(3) . . ?
C34 C33 C32 106.3(3) . . ?
C33 C34 O22 111.7(3) . . ?
C36 C35 O23 114.4(4) . . ?
C36 C35 P3 126.8(4) . . ?
O23 C35 P3 118.5(3) . . ?
C35 C36 C37 101.9(6) . . ?
C38 C37 C36 110.1(6) . . ?
C37 C38 O23 113.2(7) . . ?
O24 C39 C42 106.4(3) . . ?
O24 C39 Ru4 118.8(2) . . ?
C42 C39 Ru4 134.4(2) . . ?
O24 C39 Ru3 118.60(19) . . ?
C42 C39 Ru3 75.77(17) . . ?
Ru4 C39 Ru3 77.42(9) . . ?
C41 C40 O24 111.9(3) . . ?
C40 C41 C42 106.9(3) . . ?
C39 C42 C41 107.2(3) . . ?
C39 C42 Ru3 70.21(16) . . ?
C41 C42 Ru3 120.5(2) . . ?
C46 C43 O25 109.3(3) . . ?
C46 C43 P2 132.4(2) . . ?
O25 C43 P2 118.27(19) . . ?
C45 C44 O25 111.3(3) . . ?
C44 C45 C46 106.4(3) . . ?
C43 C46 C45 107.2(3) . . ?
C50 C47 O26 109.4(3) . . ?
C50 C47 P2 133.4(3) . . ?
O26 C47 P2 117.1(2) . . ?
C49 C48 O26 111.2(4) . . ?
C48 C49 C50 106.9(4) . . ?
C47 C50 C49 106.9(4) . . ?
O27 C51 C54 105.9(2) . . ?
O27 C51 Ru5 118.13(17) . . ?
C54 C51 Ru5 135.7(2) . . ?
O27 C51 Ru6 119.83(16) . . ?
C54 C51 Ru6 76.90(15) . . ?
Ru5 C51 Ru6 77.35(8) . . ?
C53 C52 O27 111.5(3) . . ?
C52 C53 C54 106.9(3) . . ?
C51 C54 C53 107.3(3) . . ?
C51 C54 Ru6 69.28(14) . . ?
C53 C54 Ru6 121.9(2) . . ?
C19 O19 C20 106.2(3) . . ?
C23 O20 C24 103.0(4) . . ?
C28 O21 C27 107.6(3) . . ?
C34 O22 C31 105.7(3) . . ?
C35 O23 C38 100.4(6) . . ?
C40 O24 C39 107.6(3) . . ?
C43 O25 C44 105.8(3) . . ?
C48 O26 C47 105.5(3) . . ?
C52 O27 C51 108.4(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 C1 1.886(3) . ?
Ru1 C3 1.935(3) . ?
Ru1 C2 1.951(3) . ?
Ru1 P1 2.3374(7) . ?
Ru1 C27 2.350(3) . ?
Ru1 C30 2.426(3) . ?
Ru1 Ru2 2.7735(3) . ?
Ru2 C6 1.897(3) . ?
Ru2 C5 1.940(3) . ?
Ru2 C4 1.952(3) . ?
Ru2 C27 2.085(3) . ?
Ru2 P1 2.3214(7) . ?
Ru3 C9 1.886(3) . ?
Ru3 C8 1.936(3) . ?
Ru3 C7 1.937(4) . ?
Ru3 P3 2.3415(7) . ?
Ru3 C39 2.355(3) . ?
Ru3 C42 2.426(3) . ?
Ru3 Ru4 2.7796(3) . ?
Ru4 C11 1.904(4) . ?
Ru4 C10 1.928(3) . ?
Ru4 C12 1.946(3) . ?
Ru4 C39 2.076(3) . ?
Ru4 P3 2.3208(7) . ?
Ru5 C14 1.912(3) . ?
Ru5 C13 1.940(3) . ?
Ru5 C15 1.947(3) . ?
Ru5 C51 2.074(3) . ?
Ru5 P2 2.3310(7) . ?
Ru5 Ru6 2.7752(3) . ?
Ru6 C16 1.885(3) . ?
Ru6 C17 1.938(3) . ?
Ru6 C18 1.945(3) . ?
Ru6 P2 2.3437(7) . ?
Ru6 C51 2.354(2) . ?
Ru6 C54 2.451(3) . ?
P1 C23 1.792(3) . ?
P1 C19 1.797(3) . ?
P2 C47 1.800(3) . ?
P2 C43 1.800(3) . ?
P3 C31 1.789(3) . ?
P3 C35 1.794(3) . ?
C1 O1 1.126(3) . ?
C2 O2 1.125(4) . ?
C3 O3 1.125(3) . ?
C4 O4 1.126(4) . ?
C5 O5 1.136(4) . ?
C6 O6 1.128(4) . ?
C7 O7 1.134(4) . ?
C8 O8 1.127(4) . ?
C9 O9 1.136(4) . ?
C10 O10 1.132(4) . ?
C11 O11 1.132(4) . ?
C12 O12 1.132(4) . ?
C13 O13 1.133(3) . ?
C14 O14 1.131(3) . ?
C15 O15 1.124(3) . ?
C16 O16 1.133(4) . ?
C17 O17 1.128(3) . ?
C18 O18 1.127(3) . ?
C19 C22 1.340(4) . ?
C19 O19 1.366(4) . ?
C20 C21 1.301(6) . ?
C20 O19 1.374(4) . ?
C21 C22 1.418(5) . ?
C23 C26 1.330(6) . ?
C23 O20 1.365(4) . ?
C24 C25 1.266(9) . ?
C24 O20 1.411(7) . ?
C25 C26 1.415(10) . ?
C27 C30 1.395(4) . ?
C27 O21 1.397(3) . ?
C28 C29 1.309(5) . ?
C28 O21 1.381(4) . ?
C29 C30 1.460(4) . ?
C31 C32 1.345(4) . ?
C31 O22 1.376(3) . ?
C32 C33 1.419(5) . ?
C33 C34 1.312(6) . ?
C34 O22 1.367(4) . ?
C35 C36 1.328(5) . ?
C35 O23 1.377(5) . ?
C36 C37 1.443(11) . ?
C37 C38 1.223(16) . ?
C38 O23 1.412(9) . ?
C39 O24 1.397(3) . ?
C39 C42 1.400(4) . ?
C40 C41 1.302(6) . ?
C40 O24 1.379(4) . ?
C41 C42 1.446(4) . ?
C43 C46 1.342(4) . ?
C43 O25 1.360(3) . ?
C44 C45 1.308(6) . ?
C44 O25 1.367(4) . ?
C45 C46 1.410(5) . ?
C47 C50 1.324(4) . ?
C47 O26 1.366(3) . ?
C48 C49 1.291(7) . ?
C48 O26 1.362(5) . ?
C49 C50 1.409(6) . ?
C51 O27 1.399(3) . ?
C51 C54 1.401(4) . ?
C52 C53 1.311(5) . ?
C52 O27 1.369(4) . ?
C53 C54 1.446(4) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
? ? ? ? ? ? ? ?
