#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/44/4064499.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_4064499
loop_
_publ_author_name
'Chang, Wei-Chen'
'Cheng, Cheng-Wei'
'Ma, Hao-Wei'
'Lin, Ying-Chih'
'Liu, Yi-Hong'
_publ_section_title
;
 Tandem Cyclization in Ruthenium Vinylidene Complexes with Two Ester
 Groups
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2747
_journal_paper_doi               10.1021/om200143e
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C61.25 H50.5 O3.75 P2 Ru'
_chemical_formula_weight         1009.53
_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                111.902(4)
_cell_angle_beta                 95.026(4)
_cell_angle_gamma                98.143(4)
_cell_formula_units_Z            4
_cell_length_a                   9.6856(5)
_cell_length_b                   22.1866(11)
_cell_length_c                   24.7742(10)
_cell_measurement_reflns_used    14669
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.0233
_cell_measurement_theta_min      3.1598
_cell_volume                     4832.2(4)
_computing_cell_refinement
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET) 
(compiled May  6 2009,17:20:42) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_collection
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET) 
(compiled May  6 2009,17:20:42) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_data_reduction
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET) 
(compiled May  6 2009,17:20:42) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Gemini A'
_diffrn_measurement_method       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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0864
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36832
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    0.440
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET) 
(compiled May  6 2009,17:20:42) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         22096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.881
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0294P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                14508
_reflns_number_total             22096
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200143e_si_001.cif
_cod_data_source_block           ic14055
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C61.25 H50.50 O3.75 P2 Ru'
_cod_database_code               4064499
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 0.39528(2) 0.450323(9) 0.252323(7) 0.01452(5) Uani 1 1 d . . .
P1 P 0.47048(7) 0.47059(3) 0.35021(2) 0.01561(13) Uani 1 1 d . . .
P2 P 0.60155(7) 0.44907(3) 0.21177(2) 0.01721(14) Uani 1 1 d . . .
O1 O 0.49829(17) 0.34031(7) 0.27191(6) 0.0170(4) Uani 1 1 d . . .
O2 O 0.3769(2) 0.12103(8) 0.15277(7) 0.0376(5) Uani 1 1 d . . .
O3 O 0.59376(19) 0.26221(7) 0.28733(6) 0.0238(4) Uani 1 1 d . . .
C1 C 0.3976(3) 0.35241(11) 0.23189(9) 0.0164(5) Uani 1 1 d . . .
C2 C 0.3404(3) 0.29021(11) 0.19082(9) 0.0174(5) Uani 1 1 d . . .
C3 C 0.2408(3) 0.25545(11) 0.13590(9) 0.0201(5) Uani 1 1 d . . .
C4 C 0.1499(3) 0.27576(12) 0.10253(9) 0.0249(6) Uani 1 1 d . . .
H4A H 0.1401 0.3208 0.1156 0.030 Uiso 1 1 calc R . .
C5 C 0.0728(3) 0.22915(13) 0.04954(10) 0.0324(7) Uani 1 1 d . . .
H5A H 0.0106 0.2429 0.0266 0.039 Uiso 1 1 calc R . .
C6 C 0.0851(3) 0.16354(13) 0.02974(11) 0.0377(8) Uani 1 1 d . . .
H6A H 0.0330 0.1330 -0.0069 0.045 Uiso 1 1 calc R . .
C7 C 0.1725(3) 0.14203(13) 0.06280(10) 0.0352(7) Uani 1 1 d . . .
H7A H 0.1799 0.0967 0.0496 0.042 Uiso 1 1 calc R . .
C8 C 0.2495(3) 0.18758(12) 0.11558(9) 0.0236(6) Uani 1 1 d . . .
C9 C 0.3506(3) 0.17507(12) 0.15787(10) 0.0242(6) Uani 1 1 d . . .
C10 C 0.4046(3) 0.24083(11) 0.20349(9) 0.0195(5) Uani 1 1 d . . .
C11 C 0.4996(3) 0.27541(11) 0.25302(9) 0.0177(5) Uani 1 1 d . . .
C12 C 0.6216(3) 0.19601(12) 0.26387(10) 0.0270(6) Uani 1 1 d . . .
H12A H 0.6576 0.1873 0.2260 0.032 Uiso 1 1 calc R . .
H12B H 0.5337 0.1636 0.2568 0.032 Uiso 1 1 calc R . .
C13 C 0.7292(3) 0.18962(12) 0.30761(10) 0.0239(6) Uani 1 1 d . . .
C14 C 0.7260(3) 0.21754(13) 0.36747(11) 0.0335(7) Uani 1 1 d . . .
H14A H 0.6580 0.2441 0.3818 0.040 Uiso 1 1 calc R . .
C15 C 0.8209(4) 0.20712(15) 0.40687(12) 0.0430(8) Uani 1 1 d . . .
H15A H 0.8181 0.2267 0.4479 0.052 Uiso 1 1 calc R . .
C16 C 0.9184(3) 0.16876(15) 0.38654(13) 0.0448(8) Uani 1 1 d . . .
H16A H 0.9834 0.1616 0.4135 0.054 Uiso 1 1 calc R . .
C17 C 0.9232(3) 0.14065(15) 0.32764(13) 0.0440(8) Uani 1 1 d . . .
H17A H 0.9908 0.1137 0.3138 0.053 Uiso 1 1 calc R . .
C18 C 0.8298(3) 0.15128(13) 0.28789(12) 0.0336(7) Uani 1 1 d . . .
H18A H 0.8349 0.1322 0.2470 0.040 Uiso 1 1 calc R . .
C19 C 0.1990(3) 0.48835(12) 0.27648(10) 0.0237(6) Uani 1 1 d . . .
H19A H 0.1564 0.4909 0.3124 0.028 Uiso 1 1 calc R . .
C20 C 0.2953(3) 0.54025(12) 0.27089(10) 0.0254(6) Uani 1 1 d . . .
H20A H 0.3328 0.5851 0.3024 0.031 Uiso 1 1 calc R . .
C21 C 0.3219(3) 0.51792(12) 0.21238(10) 0.0240(6) Uani 1 1 d . . .
H21A H 0.3818 0.5444 0.1950 0.029 Uiso 1 1 calc R . .
C22 C 0.2417(3) 0.45309(12) 0.18112(10) 0.0219(6) Uani 1 1 d . . .
H22A H 0.2345 0.4263 0.1380 0.026 Uiso 1 1 calc R . .
C23 C 0.1654(3) 0.43511(12) 0.22088(10) 0.0229(6) Uani 1 1 d . . .
H23A H 0.0950 0.3935 0.2107 0.027 Uiso 1 1 calc R . .
C24 C 0.3628(3) 0.41615(11) 0.37838(9) 0.0169(5) Uani 1 1 d . . .
C25 C 0.3971(3) 0.41915(11) 0.43517(9) 0.0208(5) Uani 1 1 d . . .
H25A H 0.4792 0.4487 0.4598 0.025 Uiso 1 1 calc R . .
C26 C 0.3128(3) 0.37948(12) 0.45632(10) 0.0246(6) Uani 1 1 d . . .
H26A H 0.3372 0.3824 0.4953 0.029 Uiso 1 1 calc R . .
C27 C 0.1936(3) 0.33577(12) 0.42099(10) 0.0263(6) Uani 1 1 d . . .
H27A H 0.1364 0.3086 0.4356 0.032 Uiso 1 1 calc R . .
C28 C 0.1582(3) 0.33180(12) 0.36427(10) 0.0230(6) Uani 1 1 d . . .
H28A H 0.0768 0.3017 0.3397 0.028 Uiso 1 1 calc R . .
C29 C 0.2416(3) 0.37178(11) 0.34302(9) 0.0191(5) Uani 1 1 d . . .
H29A H 0.2160 0.3690 0.3041 0.023 Uiso 1 1 calc R . .
C30 C 0.6509(3) 0.47015(11) 0.38115(9) 0.0178(5) Uani 1 1 d . . .
C31 C 0.7623(3) 0.52308(12) 0.39403(10) 0.0255(6) Uani 1 1 d . . .
H31A H 0.7437 0.5618 0.3892 0.031 Uiso 1 1 calc R . .
C32 C 0.8987(3) 0.52090(13) 0.41356(11) 0.0324(7) Uani 1 1 d . . .
H32A H 0.9719 0.5581 0.4226 0.039 Uiso 1 1 calc R . .
C33 C 0.9289(3) 0.46470(13) 0.41994(10) 0.0299(6) Uani 1 1 d . . .
H33A H 1.0225 0.4629 0.4333 0.036 Uiso 1 1 calc R . .
C34 C 0.8208(3) 0.41124(12) 0.40658(9) 0.0241(6) Uani 1 1 d . . .
H34A H 0.8409 0.3722 0.4104 0.029 Uiso 1 1 calc R . .
C35 C 0.6843(3) 0.41363(11) 0.38776(9) 0.0198(5) Uani 1 1 d . . .
H35A H 0.6116 0.3763 0.3791 0.024 Uiso 1 1 calc R . .
C36 C 0.4422(3) 0.55299(11) 0.39969(8) 0.0163(5) Uani 1 1 d . . .
C37 C 0.5158(3) 0.61064(11) 0.39685(9) 0.0207(5) Uani 1 1 d . . .
H37A H 0.5831 0.6068 0.3706 0.025 Uiso 1 1 calc R . .
C38 C 0.4938(3) 0.67237(12) 0.43071(9) 0.0234(6) Uani 1 1 d . . .
H38A H 0.5465 0.7105 0.4281 0.028 Uiso 1 1 calc R . .
C39 C 0.3951(3) 0.67921(12) 0.46854(10) 0.0283(6) Uani 1 1 d . . .
H39A H 0.3794 0.7218 0.4921 0.034 Uiso 1 1 calc R . .
C40 C 0.3194(3) 0.62316(12) 0.47174(10) 0.0277(6) Uani 1 1 d . . .
H40A H 0.2511 0.6275 0.4975 0.033 Uiso 1 1 calc R . .
C41 C 0.3422(3) 0.56091(12) 0.43780(9) 0.0228(6) Uani 1 1 d . . .
H41A H 0.2888 0.5230 0.4405 0.027 Uiso 1 1 calc R . .
C42 C 0.7123(3) 0.38695(11) 0.20769(9) 0.0199(5) Uani 1 1 d . . .
C43 C 0.7989(3) 0.39447(13) 0.25827(10) 0.0256(6) Uani 1 1 d . . .
H43A H 0.8027 0.4322 0.2934 0.031 Uiso 1 1 calc R . .
C44 C 0.8796(3) 0.34810(13) 0.25834(11) 0.0296(6) Uani 1 1 d . . .
H44A H 0.9376 0.3539 0.2935 0.036 Uiso 1 1 calc R . .
C45 C 0.8767(3) 0.29368(13) 0.20801(12) 0.0350(7) Uani 1 1 d . . .
H45A H 0.9323 0.2617 0.2082 0.042 Uiso 1 1 calc R . .
C46 C 0.7924(4) 0.28565(15) 0.15708(12) 0.0484(9) Uani 1 1 d . . .
H46A H 0.7904 0.2481 0.1220 0.058 Uiso 1 1 calc R . .
C47 C 0.7109(3) 0.33180(13) 0.15675(11) 0.0366(7) Uani 1 1 d . . .
H47A H 0.6534 0.3258 0.1214 0.044 Uiso 1 1 calc R . .
C48 C 0.5587(3) 0.43512(11) 0.13357(9) 0.0196(5) Uani 1 1 d . . .
C49 C 0.6216(3) 0.47671(13) 0.10845(10) 0.0267(6) Uani 1 1 d . . .
H49A H 0.6931 0.5138 0.1317 0.032 Uiso 1 1 calc R . .
C50 C 0.5803(3) 0.46409(14) 0.04970(11) 0.0379(7) Uani 1 1 d . . .
H50A H 0.6253 0.4921 0.0327 0.046 Uiso 1 1 calc R . .
C51 C 0.4745(3) 0.41138(14) 0.01549(11) 0.0374(7) Uani 1 1 d . . .
H51A H 0.4445 0.4041 -0.0244 0.045 Uiso 1 1 calc R . .
C52 C 0.4125(3) 0.36922(13) 0.03955(10) 0.0313(7) Uani 1 1 d . . .
H52A H 0.3412 0.3322 0.0160 0.038 Uiso 1 1 calc R . .
C53 C 0.4547(3) 0.38106(12) 0.09806(9) 0.0248(6) Uani 1 1 d . . .
H53A H 0.4121 0.3518 0.1143 0.030 Uiso 1 1 calc R . .
C54 C 0.7340(3) 0.52561(11) 0.23882(9) 0.0203(5) Uani 1 1 d . . .
C55 C 0.6932(3) 0.58535(12) 0.26879(9) 0.0227(6) Uani 1 1 d . . .
H55A H 0.6005 0.5853 0.2785 0.027 Uiso 1 1 calc R . .
C56 C 0.7856(3) 0.64497(13) 0.28472(10) 0.0296(7) Uani 1 1 d . . .
H56A H 0.7565 0.6852 0.3062 0.035 Uiso 1 1 calc R . .
C57 C 0.9192(3) 0.64646(14) 0.26975(11) 0.0344(7) Uani 1 1 d . . .
H57A H 0.9806 0.6875 0.2791 0.041 Uiso 1 1 calc R . .
C58 C 0.9625(3) 0.58790(15) 0.24111(12) 0.0367(7) Uani 1 1 d . . .
H58A H 1.0553 0.5886 0.2314 0.044 Uiso 1 1 calc R . .
C59 C 0.8720(3) 0.52767(14) 0.22626(11) 0.0317(6) Uani 1 1 d . . .
H59A H 0.9044 0.4876 0.2074 0.038 Uiso 1 1 calc R . .
Ru2 Ru 0.40725(2) 0.927371(9) 0.231666(7) 0.01498(5) Uani 1 1 d . . .
P3 P 0.21291(7) 0.97464(3) 0.25394(2) 0.01768(14) Uani 1 1 d . . .
P4 P 0.31269(7) 0.82310(3) 0.15964(2) 0.01659(13) Uani 1 1 d . . .
O4 O 0.28498(17) 0.83170(7) 0.28298(6) 0.0183(4) Uani 1 1 d . . .
O5 O 0.4820(2) 0.82799(8) 0.45583(6) 0.0304(5) Uani 1 1 d . . .
O6 O 0.21484(19) 0.75371(8) 0.31662(6) 0.0258(4) Uani 1 1 d . . .
C60 C 0.3850(3) 0.89349(11) 0.29777(9) 0.0171(5) Uani 1 1 d . . .
C61 C 0.4507(3) 0.90703(11) 0.35334(9) 0.0164(5) Uani 1 1 d . . .
C62 C 0.5567(3) 0.95640(11) 0.40193(9) 0.0175(5) Uani 1 1 d . . .
C63 C 0.6276(3) 1.01984(11) 0.41367(9) 0.0224(6) Uani 1 1 d . . .
H63A H 0.6135 1.0394 0.3859 0.027 Uiso 1 1 calc R . .
C64 C 0.7195(3) 1.05479(12) 0.46623(9) 0.0251(6) Uani 1 1 d . . .
H64A H 0.7669 1.0984 0.4742 0.030 Uiso 1 1 calc R . .
C65 C 0.7432(3) 1.02689(12) 0.50756(10) 0.0268(6) Uani 1 1 d . . .
H65A H 0.8078 1.0510 0.5428 0.032 Uiso 1 1 calc R . .
C66 C 0.6720(3) 0.96397(12) 0.49686(9) 0.0246(6) Uani 1 1 d . . .
H66A H 0.6876 0.9445 0.5246 0.030 Uiso 1 1 calc R . .
C67 C 0.5776(3) 0.92958(11) 0.44511(9) 0.0202(5) Uani 1 1 d . . .
C68 C 0.4845(3) 0.86380(11) 0.42768(9) 0.0209(5) Uani 1 1 d . . .
C69 C 0.4035(3) 0.85345(11) 0.37139(9) 0.0177(5) Uani 1 1 d . . .
C70 C 0.3026(3) 0.81046(11) 0.32712(9) 0.0193(5) Uani 1 1 d . . .
C71 C 0.2200(3) 0.73091(12) 0.36446(10) 0.0277(6) Uani 1 1 d . . .
H71A H 0.3097 0.7528 0.3917 0.033 Uiso 1 1 calc R . .
H71B H 0.2178 0.6826 0.3483 0.033 Uiso 1 1 calc R . .
C72 C 0.0975(3) 0.74552(12) 0.39820(10) 0.0271(6) Uani 1 1 d . . .
C73 C 0.0471(3) 0.80333(13) 0.41031(11) 0.0348(7) Uani 1 1 d . . .
H73A H 0.0887 0.8352 0.3965 0.042 Uiso 1 1 calc R . .
C74 C -0.0633(4) 0.81583(16) 0.44233(12) 0.0465(8) Uani 1 1 d . . .
H74A H -0.0970 0.8561 0.4506 0.056 Uiso 1 1 calc R . .
C75 C -0.1243(4) 0.76933(17) 0.46216(11) 0.0493(9) Uani 1 1 d . . .
H75A H -0.1998 0.7778 0.4842 0.059 Uiso 1 1 calc R . .
C76 C -0.0765(4) 0.71125(16) 0.45020(11) 0.0459(9) Uani 1 1 d . . .
H76A H -0.1189 0.6793 0.4637 0.055 Uiso 1 1 calc R . .
C77 C 0.0339(3) 0.69938(14) 0.41828(11) 0.0371(7) Uani 1 1 d . . .
H77A H 0.0669 0.6590 0.4099 0.045 Uiso 1 1 calc R . .
C78 C 0.6375(3) 0.96522(12) 0.26407(10) 0.0240(6) Uani 1 1 d . . .
H78A H 0.6925 0.9586 0.2969 0.029 Uiso 1 1 calc R . .
C79 C 0.5722(3) 1.01959(12) 0.27015(10) 0.0232(6) Uani 1 1 d . . .
H79A H 0.5734 1.0582 0.3076 0.028 Uiso 1 1 calc R . .
C80 C 0.5151(3) 1.01261(11) 0.21265(10) 0.0222(6) Uani 1 1 d . . .
H80A H 0.4679 1.0452 0.2028 0.027 Uiso 1 1 calc R . .
C81 C 0.5443(3) 0.95370(12) 0.17212(10) 0.0221(6) Uani 1 1 d . . .
H81A H 0.5216 0.9372 0.1283 0.027 Uiso 1 1 calc R . .
C82 C 0.6194(3) 0.92339(12) 0.20425(10) 0.0228(6) Uani 1 1 d . . .
H82A H 0.6605 0.8827 0.1870 0.027 Uiso 1 1 calc R . .
C83 C 0.0794(3) 0.94606(12) 0.29249(9) 0.0214(5) Uani 1 1 d . . .
C84 C 0.0423(3) 0.98653(14) 0.34508(10) 0.0333(7) Uani 1 1 d . . .
H84A H 0.0870 1.0317 0.3635 0.040 Uiso 1 1 calc R . .
C85 C -0.0609(3) 0.96066(18) 0.37079(12) 0.0443(8) Uani 1 1 d . . .
H85A H -0.0833 0.9883 0.4074 0.053 Uiso 1 1 calc R . .
C86 C -0.1298(3) 0.89660(17) 0.34448(13) 0.0435(8) Uani 1 1 d . . .
H86A H -0.2022 0.8801 0.3617 0.052 Uiso 1 1 calc R . .
C87 C -0.0934(4) 0.85654(15) 0.29319(14) 0.0458(8) Uani 1 1 d . . .
H87A H -0.1394 0.8115 0.2748 0.055 Uiso 1 1 calc R . .
C88 C 0.0105(3) 0.88133(14) 0.26780(12) 0.0368(7) Uani 1 1 d . . .
H88A H 0.0348 0.8525 0.2321 0.044 Uiso 1 1 calc R . .
C89 C 0.2723(3) 1.06203(11) 0.30383(9) 0.0206(5) Uani 1 1 d . . .
C90 C 0.2583(3) 1.11429(12) 0.28681(10) 0.0246(6) Uani 1 1 d . . .
H90A H 0.2174 1.1056 0.2478 0.029 Uiso 1 1 calc R . .
C91 C 0.3046(3) 1.17946(13) 0.32713(11) 0.0316(7) Uani 1 1 d . . .
H91A H 0.2945 1.2149 0.3153 0.038 Uiso 1 1 calc R . .
C92 C 0.3648(3) 1.19279(13) 0.38376(10) 0.0325(7) Uani 1 1 d . . .
H92A H 0.3938 1.2373 0.4112 0.039 Uiso 1 1 calc R . .
C93 C 0.3829(3) 1.14134(13) 0.40074(10) 0.0318(7) Uani 1 1 d . . .
H93A H 0.4256 1.1504 0.4396 0.038 Uiso 1 1 calc R . .
C94 C 0.3383(3) 1.07634(12) 0.36069(10) 0.0256(6) Uani 1 1 d . . .
H94A H 0.3530 1.0411 0.3722 0.031 Uiso 1 1 calc R . .
C95 C 0.1021(3) 0.98265(11) 0.19363(9) 0.0177(5) Uani 1 1 d . . .
C96 C -0.0355(3) 0.99199(12) 0.19628(10) 0.0252(6) Uani 1 1 d . . .
H96A H -0.0783 0.9916 0.2293 0.030 Uiso 1 1 calc R . .
C97 C -0.1123(3) 1.00201(14) 0.15107(11) 0.0341(7) Uani 1 1 d . . .
H97A H -0.2069 1.0084 0.1533 0.041 Uiso 1 1 calc R . .
C98 C -0.0500(3) 1.00264(13) 0.10282(10) 0.0317(7) Uani 1 1 d . . .
H98A H -0.1018 1.0095 0.0719 0.038 Uiso 1 1 calc R . .
C99 C 0.0869(3) 0.99327(12) 0.09991(10) 0.0255(6) Uani 1 1 d . . .
H99A H 0.1297 0.9937 0.0669 0.031 Uiso 1 1 calc R . .
C100 C 0.1629(3) 0.98316(11) 0.14489(9) 0.0223(6) Uani 1 1 d . . .
H10A H 0.2573 0.9765 0.1424 0.027 Uiso 1 1 calc R . .
C101 C 0.1229(3) 0.78501(11) 0.14273(9) 0.0197(5) Uani 1 1 d . . .
C102 C 0.0706(3) 0.73283(12) 0.15870(10) 0.0265(6) Uani 1 1 d . . .
H10B H 0.1345 0.7147 0.1769 0.032 Uiso 1 1 calc R . .
C103 C -0.0719(3) 0.70724(14) 0.14856(11) 0.0346(7) Uani 1 1 d . . .
H10C H -0.1045 0.6718 0.1597 0.041 Uiso 1 1 calc R . .
C104 C -0.1679(3) 0.73235(15) 0.12244(11) 0.0380(7) Uani 1 1 d . . .
H10D H -0.2658 0.7139 0.1147 0.046 Uiso 1 1 calc R . .
C105 C -0.1185(3) 0.78501(15) 0.10785(11) 0.0382(7) Uani 1 1 d . . .
H10E H -0.1832 0.8033 0.0903 0.046 Uiso 1 1 calc R . .
C106 C 0.0240(3) 0.81126(13) 0.11851(10) 0.0294(6) Uani 1 1 d . . .
H10F H 0.0553 0.8482 0.1091 0.035 Uiso 1 1 calc R . .
C107 C 0.3923(3) 0.75451(11) 0.16553(9) 0.0189(5) Uani 1 1 d . . .
C108 C 0.3514(3) 0.69042(12) 0.12221(10) 0.0268(6) Uani 1 1 d . . .
H10G H 0.2800 0.6818 0.0900 0.032 Uiso 1 1 calc R . .
C109 C 0.4137(3) 0.63954(13) 0.12583(11) 0.0310(7) Uani 1 1 d . . .
H10H H 0.3836 0.5960 0.0966 0.037 Uiso 1 1 calc R . .
C110 C 0.5195(3) 0.65172(13) 0.17172(11) 0.0321(7) Uani 1 1 d . . .
H11A H 0.5630 0.6168 0.1740 0.039 Uiso 1 1 calc R . .
C111 C 0.5617(3) 0.71512(13) 0.21436(11) 0.0306(6) Uani 1 1 d . . .
H11B H 0.6347 0.7237 0.2459 0.037 Uiso 1 1 calc R . .
C112 C 0.4985(3) 0.76623(12) 0.21138(10) 0.0232(6) Uani 1 1 d . . .
H11C H 0.5282 0.8095 0.2409 0.028 Uiso 1 1 calc R . .
C113 C 0.3591(3) 0.81675(11) 0.08639(9) 0.0190(5) Uani 1 1 d . . .
C114 C 0.2820(3) 0.83964(12) 0.05027(9) 0.0269(6) Uani 1 1 d . . .
H11D H 0.1974 0.8547 0.0609 0.032 Uiso 1 1 calc R . .
C115 C 0.3278(3) 0.84057(13) -0.00115(10) 0.0319(7) Uani 1 1 d . . .
H11E H 0.2727 0.8554 -0.0256 0.038 Uiso 1 1 calc R . .
C116 C 0.4504(3) 0.82053(13) -0.01707(10) 0.0324(7) Uani 1 1 d . . .
H11F H 0.4812 0.8216 -0.0521 0.039 Uiso 1 1 calc R . .
C117 C 0.5285(3) 0.79877(13) 0.01846(10) 0.0334(7) Uani 1 1 d . . .
H11G H 0.6150 0.7855 0.0083 0.040 Uiso 1 1 calc R . .
C118 C 0.4820(3) 0.79601(12) 0.06922(10) 0.0279(6) Uani 1 1 d . . .
H11H H 0.5359 0.7795 0.0926 0.033 Uiso 1 1 calc R . .
O7 O 0.1687(4) 0.47755(15) 0.02044(12) 0.0961(9) Uiso 1 1 d . . .
C119 C -0.0198(6) 0.3973(2) 0.02311(19) 0.1008(15) Uiso 1 1 d . . .
H11I H 0.0152 0.3671 -0.0107 0.151 Uiso 1 1 calc R . .
H11J H -0.1181 0.3989 0.0115 0.151 Uiso 1 1 calc R . .
H11K H -0.0142 0.3815 0.0552 0.151 Uiso 1 1 calc R . .
C120 C 0.0664(5) 0.46352(19) 0.04303(15) 0.0664(10) Uiso 1 1 d . . .
C121 C 0.0300(5) 0.51590(19) 0.09342(15) 0.0771(12) Uiso 1 1 d . . .
H12C H 0.0964 0.5573 0.1027 0.116 Uiso 1 1 calc R . .
H12D H 0.0353 0.5036 0.1275 0.116 Uiso 1 1 calc R . .
H12E H -0.0661 0.5218 0.0837 0.116 Uiso 1 1 calc R . .
O8 O -0.3091(6) 1.0066(2) 0.00219(18) 0.0627(13) Uiso 0.50 1 d P A 1
C122 C -0.5206(5) 0.97911(19) -0.05564(15) 0.0762(12) Uiso 1 1 d . B 1
H12F H -0.6207 0.9777 -0.0517 0.114 Uiso 1 1 calc R B 1
H12G H -0.5060 0.9346 -0.0791 0.114 Uiso 1 1 calc R B 1
H12H H -0.4918 1.0089 -0.0752 0.114 Uiso 1 1 calc R B 1
C123 C -0.4356(7) 1.0034(3) 0.0031(2) 0.0434(16) Uiso 0.50 1 d P . 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'
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
C1 Ru1 C19 119.02(9) . .
C1 Ru1 C23 95.01(9) . .
C19 Ru1 C23 36.99(8) . .
C1 Ru1 C22 105.42(9) . .
C19 Ru1 C22 61.85(9) . .
C23 Ru1 C22 37.11(8) . .
C1 Ru1 C21 140.77(8) . .
C19 Ru1 C21 61.74(9) . .
C23 Ru1 C21 61.84(9) . .
C22 Ru1 C21 37.06(8) . .
C1 Ru1 C20 155.56(10) . .
C19 Ru1 C20 37.29(9) . .
C23 Ru1 C20 61.83(9) . .
C22 Ru1 C20 61.55(9) . .
C21 Ru1 C20 36.50(8) . .
C1 Ru1 P2 83.94(7) . .
C19 Ru1 P2 153.72(7) . .
C23 Ru1 P2 136.92(6) . .
C22 Ru1 P2 101.65(7) . .
C21 Ru1 P2 92.57(7) . .
C20 Ru1 P2 117.87(7) . .
C1 Ru1 P1 88.65(6) . .
C19 Ru1 P1 90.20(6) . .
C23 Ru1 P1 119.22(6) . .
C22 Ru1 P1 152.02(7) . .
C21 Ru1 P1 129.76(6) . .
C20 Ru1 P1 95.95(6) . .
P2 Ru1 P1 103.84(2) . .
C30 P1 C24 101.24(11) . .
C30 P1 C36 101.72(10) . .
C24 P1 C36 100.70(10) . .
C30 P1 Ru1 125.22(7) . .
C24 P1 Ru1 113.74(7) . .
C36 P1 Ru1 110.98(7) . .
C54 P2 C42 101.67(12) . .
C54 P2 C48 101.16(10) . .
C42 P2 C48 101.67(10) . .
C54 P2 Ru1 118.23(8) . .
C42 P2 Ru1 122.22(8) . .
C48 P2 Ru1 108.86(8) . .
C11 O1 C1 109.79(16) . .
C11 O3 C12 115.12(17) . .
C2 C1 O1 103.50(18) . .
C2 C1 Ru1 142.60(17) . .
O1 C1 Ru1 113.82(14) . .
C1 C2 C10 110.60(19) . .
C1 C2 C3 142.1(2) . .
C10 C2 C3 107.19(19) . .
C4 C3 C8 118.6(2) . .
C4 C3 C2 133.8(2) . .
C8 C3 C2 107.6(2) . .
C3 C4 C5 119.1(2) . .
C6 C5 C4 121.5(2) . .
C5 C6 C7 120.4(2) . .
C6 C7 C8 118.9(3) . .
C7 C8 C3 121.5(2) . .
C7 C8 C9 127.7(2) . .
C3 C8 C9 110.9(2) . .
O2 C9 C10 130.9(2) . .
O2 C9 C8 125.6(2) . .
C10 C9 C8 103.5(2) . .
C11 C10 C2 105.08(19) . .
C11 C10 C9 144.0(2) . .
C2 C10 C9 110.8(2) . .
O3 C11 O1 111.89(19) . .
O3 C11 C10 137.1(2) . .
O1 C11 C10 111.0(2) . .
O3 C12 C13 108.20(19) . .
C14 C13 C18 118.6(2) . .
C14 C13 C12 121.8(2) . .
C18 C13 C12 119.5(2) . .
C13 C14 C15 120.7(3) . .
C16 C15 C14 119.9(3) . .
C15 C16 C17 120.3(3) . .
C16 C17 C18 120.3(3) . .
C13 C18 C17 120.2(3) . .
C23 C19 C20 108.0(2) . .
C23 C19 Ru1 71.54(14) . .
C20 C19 Ru1 72.29(15) . .
C21 C20 C19 107.7(2) . .
C21 C20 Ru1 71.30(14) . .
C19 C20 Ru1 70.42(14) . .
C20 C21 C22 108.4(2) . .
C20 C21 Ru1 72.20(13) . .
C22 C21 Ru1 71.09(13) . .
C23 C22 C21 107.9(2) . .
C23 C22 Ru1 71.36(13) . .
C21 C22 Ru1 71.85(13) . .
C19 C23 C22 108.0(2) . .
C19 C23 Ru1 71.48(14) . .
C22 C23 Ru1 71.53(14) . .
C25 C24 C29 118.2(2) . .
C25 C24 P1 121.46(18) . .
C29 C24 P1 120.28(16) . .
C26 C25 C24 120.8(2) . .
C27 C26 C25 120.5(2) . .
C26 C27 C28 119.6(2) . .
C27 C28 C29 120.2(2) . .
C28 C29 C24 120.7(2) . .
C31 C30 C35 116.8(2) . .
C31 C30 P1 122.17(18) . .
C35 C30 P1 120.80(18) . .
C32 C31 C30 122.0(2) . .
C31 C32 C33 120.1(2) . .
C34 C33 C32 119.0(3) . .
C35 C34 C33 121.0(2) . .
C34 C35 C30 121.1(2) . .
C41 C36 C37 116.9(2) . .
C41 C36 P1 122.82(17) . .
C37 C36 P1 120.13(17) . .
C38 C37 C36 122.1(2) . .
C37 C38 C39 120.1(2) . .
C38 C39 C40 119.1(2) . .
C39 C40 C41 120.8(2) . .
C40 C41 C36 121.0(2) . .
C43 C42 C47 118.1(2) . .
C43 C42 P2 118.59(17) . .
C47 C42 P2 123.32(18) . .
C44 C43 C42 121.0(2) . .
C45 C44 C43 120.4(2) . .
C44 C45 C46 119.4(3) . .
C45 C46 C47 120.4(2) . .
C46 C47 C42 120.6(2) . .
C53 C48 C49 118.3(2) . .
C53 C48 P2 118.06(17) . .
C49 C48 P2 123.62(19) . .
C50 C49 C48 120.2(3) . .
C51 C50 C49 120.9(2) . .
C50 C51 C52 119.6(2) . .
C51 C52 C53 119.8(3) . .
C52 C53 C48 121.2(2) . .
C55 C54 C59 117.7(2) . .
C55 C54 P2 119.0(2) . .
C59 C54 P2 123.02(19) . .
C56 C55 C54 121.1(3) . .
C57 C56 C55 120.6(3) . .
C58 C57 C56 119.2(3) . .
C57 C58 C59 120.7(3) . .
C58 C59 C54 120.6(3) . .
C60 Ru2 C82 112.07(9) . .
C60 Ru2 C78 91.60(9) . .
C82 Ru2 C78 36.74(8) . .
C60 Ru2 C79 106.20(8) . .
C82 Ru2 C79 61.76(9) . .
C78 Ru2 C79 36.68(9) . .
C60 Ru2 C81 149.30(10) . .
C82 Ru2 C81 37.39(9) . .
C78 Ru2 C81 61.30(9) . .
C79 Ru2 C81 61.37(8) . .
C60 Ru2 C80 142.88(9) . .
C82 Ru2 C80 61.74(9) . .
C78 Ru2 C80 61.26(9) . .
C79 Ru2 C80 37.02(8) . .
C81 Ru2 C80 36.35(8) . .
C60 Ru2 P3 88.20(7) . .
C82 Ru2 P3 154.26(6) . .
C78 Ru2 P3 132.33(7) . .
C79 Ru2 P3 98.32(7) . .
C81 Ru2 P3 120.21(7) . .
C80 Ru2 P3 92.52(7) . .
C60 Ru2 P4 91.72(6) . .
C82 Ru2 P4 92.01(6) . .
C78 Ru2 P4 124.16(7) . .
C79 Ru2 P4 152.15(6) . .
C81 Ru2 P4 92.40(6) . .
C80 Ru2 P4 123.92(6) . .
P3 Ru2 P4 103.49(2) . .
C95 P3 C89 101.04(10) . .
C95 P3 C83 102.07(11) . .
C89 P3 C83 101.72(11) . .
C95 P3 Ru2 117.39(8) . .
C89 P3 Ru2 108.77(9) . .
C83 P3 Ru2 122.78(8) . .
C107 P4 C101 100.71(11) . .
C107 P4 C113 98.30(10) . .
C101 P4 C113 103.38(10) . .
C107 P4 Ru2 115.59(8) . .
C101 P4 Ru2 124.34(8) . .
C113 P4 Ru2 110.86(7) . .
C70 O4 C60 108.98(16) . .
C70 O6 C71 115.36(17) . .
C61 C60 O4 104.04(17) . .
C61 C60 Ru2 138.41(17) . .
O4 C60 Ru2 116.92(13) . .
C60 C61 C69 110.19(19) . .
C60 C61 C62 142.7(2) . .
C69 C61 C62 107.10(18) . .
C63 C62 C67 118.4(2) . .
C63 C62 C61 134.5(2) . .
C67 C62 C61 106.97(19) . .
C62 C63 C64 119.8(2) . .
C63 C64 C65 121.2(2) . .
C66 C65 C64 119.7(2) . .
C65 C66 C67 119.2(2) . .
C66 C67 C62 121.5(2) . .
C66 C67 C68 127.1(2) . .
C62 C67 C68 111.34(19) . .
O5 C68 C69 130.4(2) . .
O5 C68 C67 125.9(2) . .
C69 C68 C67 103.75(18) . .
C70 C69 C61 105.69(19) . .
C70 C69 C68 143.6(2) . .
C61 C69 C68 110.6(2) . .
O6 C70 O4 112.51(18) . .
O6 C70 C69 136.6(2) . .
O4 C70 C69 110.9(2) . .
O6 C71 C72 111.8(2) . .
C73 C72 C77 118.4(3) . .
C73 C72 C71 122.4(2) . .
C77 C72 C71 119.2(2) . .
C72 C73 C74 121.0(3) . .
C75 C74 C73 119.5(3) . .
C76 C75 C74 120.5(3) . .
C75 C76 C77 119.5(3) . .
C76 C77 C72 121.1(3) . .
C82 C78 C79 109.1(2) . .
C82 C78 Ru2 71.33(14) . .
C79 C78 Ru2 71.85(15) . .
C78 C79 C80 107.6(2) . .
C78 C79 Ru2 71.47(14) . .
C80 C79 Ru2 72.19(13) . .
C81 C80 C79 107.9(2) . .
C81 C80 Ru2 71.51(13) . .
C79 C80 Ru2 70.80(13) . .
C80 C81 C82 108.2(2) . .
C80 C81 Ru2 72.14(13) . .
C82 C81 Ru2 70.44(13) . .
C78 C82 C81 107.2(2) . .
C78 C82 Ru2 71.94(14) . .
C81 C82 Ru2 72.18(14) . .
C88 C83 C84 117.3(2) . .
C88 C83 P3 118.71(18) . .
C84 C83 P3 124.0(2) . .
C83 C84 C85 120.0(3) . .
C86 C85 C84 121.3(3) . .
C87 C86 C85 119.0(3) . .
C86 C87 C88 120.1(3) . .
C83 C88 C87 122.2(3) . .
C90 C89 C94 118.6(2) . .
C90 C89 P3 123.05(17) . .
C94 C89 P3 118.30(18) . .
C89 C90 C91 120.0(2) . .
C92 C91 C90 120.6(2) . .
C91 C92 C93 119.9(2) . .
C92 C93 C94 119.8(2) . .
C93 C94 C89 121.0(2) . .
C96 C95 C100 118.9(2) . .
C96 C95 P3 122.79(16) . .
C100 C95 P3 118.23(19) . .
C95 C96 C97 120.7(2) . .
C98 C97 C96 119.8(3) . .
C99 C98 C97 119.8(2) . .
C98 C99 C100 120.3(2) . .
C99 C100 C95 120.6(2) . .
C106 C101 C102 116.8(2) . .
C106 C101 P4 121.01(19) . .
C102 C101 P4 121.90(19) . .
C103 C102 C101 121.3(3) . .
C102 C103 C104 121.0(3) . .
C103 C104 C105 118.5(3) . .
C106 C105 C104 120.7(3) . .
C105 C106 C101 121.7(2) . .
C112 C107 C108 118.8(2) . .
C112 C107 P4 120.51(17) . .
C108 C107 P4 120.65(18) . .
C109 C108 C107 120.6(2) . .
C108 C109 C110 120.2(2) . .
C109 C110 C111 119.6(2) . .
C110 C111 C112 120.6(2) . .
C107 C112 C111 120.3(2) . .
C118 C113 C114 117.3(2) . .
C118 C113 P4 120.21(18) . .
C114 C113 P4 122.07(19) . .
C115 C114 C113 120.6(3) . .
C116 C115 C114 121.2(2) . .
C115 C116 C117 118.8(2) . .
C116 C117 C118 120.5(3) . .
C113 C118 C117 121.5(2) . .
O7 C120 C119 124.0(4) . .
O7 C120 C121 118.4(4) . .
C119 C120 C121 117.6(4) . .
O8 C123 C123 172.4(8) . 2_475
O8 C123 C122 117.6(5) . 2_475
C123 C123 C122 69.9(5) 2_475 2_475
O8 C123 C122 113.8(5) . .
C123 C123 C122 58.6(5) 2_475 .
C122 C123 C122 128.6(5) 2_475 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.042(2) .
Ru1 C19 2.227(3) .
Ru1 C23 2.228(3) .
Ru1 C22 2.230(2) .
Ru1 C21 2.240(2) .
Ru1 C20 2.252(2) .
Ru1 P2 2.3127(7) .
Ru1 P1 2.3234(6) .
P1 C30 1.849(2) .
P1 C24 1.853(2) .
P1 C36 1.857(2) .
P2 C54 1.833(2) .
P2 C42 1.842(2) .
P2 C48 1.843(2) .
O1 C11 1.340(3) .
O1 C1 1.453(3) .
O2 C9 1.224(3) .
O3 C11 1.329(3) .
O3 C12 1.439(3) .
C1 C2 1.373(3) .
C2 C10 1.449(3) .
C2 C3 1.467(3) .
C3 C4 1.388(3) .
C3 C8 1.416(3) .
C4 C5 1.395(3) .
C5 C6 1.378(4) .
C6 C7 1.379(4) .
C7 C8 1.385(3) .
C8 C9 1.499(3) .
C9 C10 1.459(3) .
C10 C11 1.357(3) .
C12 C13 1.497(3) .
C13 C14 1.383(3) .
C13 C18 1.386(4) .
C14 C15 1.387(4) .
C15 C16 1.364(4) .
C16 C17 1.364(4) .
C17 C18 1.385(4) .
C19 C23 1.413(3) .
C19 C20 1.432(3) .
C20 C21 1.407(3) .
C21 C22 1.421(3) .
C22 C23 1.419(3) .
C24 C25 1.392(3) .
C24 C29 1.402(3) .
C25 C26 1.390(3) .
C26 C27 1.382(4) .
C27 C28 1.384(3) .
C28 C29 1.391(3) .
C30 C31 1.395(3) .
C30 C35 1.401(3) .
C31 C32 1.380(4) .
C32 C33 1.381(4) .
C33 C34 1.381(3) .
C34 C35 1.378(3) .
C36 C41 1.395(3) .
C36 C37 1.402(3) .
C37 C38 1.372(3) .
C38 C39 1.381(4) .
C39 C40 1.384(3) .
C40 C41 1.384(3) .
C42 C43 1.387(3) .
C42 C47 1.389(3) .
C43 C44 1.378(3) .
C44 C45 1.369(3) .
C45 C46 1.378(4) .
C46 C47 1.381(4) .
C48 C53 1.393(3) .
C48 C49 1.395(3) .
C49 C50 1.386(3) .
C50 C51 1.380(4) .
C51 C52 1.382(4) .
C52 C53 1.385(3) .
C54 C55 1.389(3) .
C54 C59 1.398(4) .
C55 C56 1.385(3) .
C56 C57 1.376(4) .
C57 C58 1.374(4) .
C58 C59 1.391(4) .
Ru2 C60 2.056(2) .
Ru2 C82 2.223(3) .
Ru2 C78 2.231(3) .
Ru2 C79 2.236(2) .
Ru2 C81 2.246(2) .
Ru2 C80 2.254(2) .
Ru2 P3 2.2928(7) .
Ru2 P4 2.3257(6) .
P3 C95 1.840(2) .
P3 C89 1.841(2) .
P3 C83 1.850(2) .
P4 C107 1.846(2) .
P4 C101 1.852(3) .
P4 C113 1.867(2) .
O4 C70 1.350(2) .
O4 C60 1.462(3) .
O5 C68 1.237(3) .
O6 C70 1.337(3) .
O6 C71 1.452(3) .
C60 C61 1.369(3) .
C61 C69 1.449(3) .
C61 C62 1.478(3) .
C62 C63 1.387(3) .
C62 C67 1.418(3) .
C63 C64 1.392(3) .
C64 C65 1.398(3) .
C65 C66 1.383(3) .
C66 C67 1.389(3) .
C67 C68 1.489(3) .
C68 C69 1.460(3) .
C69 C70 1.355(3) .
C71 C72 1.514(4) .
C72 C73 1.374(4) .
C72 C77 1.389(3) .
C73 C74 1.386(4) .
C74 C75 1.382(4) .
C75 C76 1.368(4) .
C76 C77 1.383(4) .
C78 C82 1.404(3) .
C78 C79 1.405(3) .
C79 C80 1.425(3) .
C80 C81 1.404(3) .
C81 C82 1.432(3) .
C83 C88 1.373(4) .
C83 C84 1.390(3) .
C84 C85 1.398(4) .
C85 C86 1.362(4) .
C86 C87 1.361(4) .
C87 C88 1.387(4) .
C89 C90 1.392(3) .
C89 C94 1.395(3) .
C90 C91 1.396(3) .
C91 C92 1.376(3) .
C92 C93 1.383(4) .
C93 C94 1.390(3) .
C95 C96 1.381(3) .
C95 C100 1.392(3) .
C96 C97 1.394(3) .
C97 C98 1.389(3) .
C98 C99 1.375(4) .
C99 C100 1.387(3) .
C101 C106 1.391(3) .
C101 C102 1.402(3) .
C102 C103 1.379(4) .
C103 C104 1.380(4) .
C104 C105 1.383(4) .
C105 C106 1.381(4) .
C107 C112 1.384(3) .
C107 C108 1.399(3) .
C108 C109 1.380(4) .
C109 C110 1.380(4) .
C110 C111 1.384(4) .
C111 C112 1.385(3) .
C113 C118 1.381(4) .
C113 C114 1.395(3) .
C114 C115 1.391(3) .
C115 C116 1.366(4) .
C116 C117 1.372(4) .
C117 C118 1.392(3) .
O7 C120 1.238(4) .
C119 C120 1.462(5) .
C120 C121 1.464(5) .
O8 C123 1.219(7) .
C122 C123 1.472(7) .
C123 C123 1.225(13) 2_475
C123 C122 1.338(6) 2_475
