#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179857 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/53/7015375.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_7015375
loop_
_publ_author_name
'Yang, Hsuan'
'Chung, Chia-Pei'
'Lin, Ying-Chih'
'Liu, Yi-Hong'
_publ_section_title
;
 Facile oxygenation reactions of ruthenium acetylide complex containing
 substituted olefinic group.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3703
_journal_page_last               3710
_journal_paper_doi               10.1039/c0dt01551b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C50 H46 O2 P2 Ru'
_chemical_formula_weight         841.88
_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                102.050(1)
_cell_angle_beta                 96.640(1)
_cell_angle_gamma                101.361(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7453(2)
_cell_length_b                   9.8887(2)
_cell_length_c                   21.9565(3)
_cell_measurement_reflns_used    31143
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.2551
_cell_measurement_theta_min      3.1116
_cell_volume                     2001.45(7)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            46602
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    0.513
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95689
_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    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.321
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         9189
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0327P)²+0.9425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0585
_reflns_number_gt                8126
_reflns_number_total             9189
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01551b.txt
_cod_data_source_block           ic14109
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        2001.44(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015375
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 0.019151(12) 0.538016(12) 0.229276(5) 0.01384(4) Uani 1 1 d . . .
P1 P -0.04234(4) 0.56987(4) 0.133107(17) 0.01637(8) Uani 1 1 d . . .
P2 P 0.22413(4) 0.51162(4) 0.195827(17) 0.01581(8) Uani 1 1 d . . .
O1 O 0.14756(12) 0.82349(11) 0.21577(5) 0.0216(2) Uani 1 1 d . . .
O2 O -0.00106(11) 0.94894(11) 0.36379(5) 0.0210(2) Uani 1 1 d . . .
C1 C 0.11830(15) 0.74688(15) 0.25291(7) 0.0172(3) Uani 1 1 d . . .
C2 C 0.16300(15) 0.82706(15) 0.32116(7) 0.0168(3) Uani 1 1 d . . .
C3 C 0.13407(15) 0.97287(15) 0.34310(7) 0.0165(3) Uani 1 1 d . . .
H3A H 0.1349 1.0260 0.3090 0.020 Uiso 1 1 calc R . .
C4 C 0.25697(15) 1.04601(15) 0.39977(6) 0.0162(3) Uani 1 1 d . . .
C5 C 0.28015(16) 0.91641(15) 0.42657(7) 0.0190(3) Uani 1 1 d . . .
H5A H 0.3804 0.9296 0.4457 0.023 Uiso 1 1 calc R . .
H5B H 0.2186 0.9006 0.4585 0.023 Uiso 1 1 calc R . .
C6 C 0.23875(16) 0.79545(16) 0.36838(7) 0.0193(3) Uani 1 1 d . . .
H6A H 0.2640 0.7067 0.3658 0.023 Uiso 1 1 calc R . .
C7 C -0.08195(17) 1.04974(18) 0.35457(8) 0.0278(4) Uani 1 1 d . . .
H7A H -0.1722 1.0265 0.3699 0.042 Uiso 1 1 calc R . .
H7B H -0.1005 1.0475 0.3095 0.042 Uiso 1 1 calc R . .
H7C H -0.0290 1.1449 0.3780 0.042 Uiso 1 1 calc R . .
C8 C 0.39520(16) 1.10526(15) 0.37772(7) 0.0175(3) Uani 1 1 d . . .
C9 C 0.51469(17) 1.16887(17) 0.42417(7) 0.0235(3) Uani 1 1 d . . .
H9A H 0.5072 1.1713 0.4671 0.028 Uiso 1 1 calc R . .
C10 C 0.64304(17) 1.22810(18) 0.40910(8) 0.0272(4) Uani 1 1 d . . .
H10A H 0.7230 1.2694 0.4414 0.033 Uiso 1 1 calc R . .
C11 C 0.65508(18) 1.22716(18) 0.34667(8) 0.0280(4) Uani 1 1 d . . .
H11A H 0.7425 1.2698 0.3361 0.034 Uiso 1 1 calc R . .
C12 C 0.53907(18) 1.16386(18) 0.30017(8) 0.0268(4) Uani 1 1 d . . .
H12A H 0.5473 1.1620 0.2573 0.032 Uiso 1 1 calc R . .
C13 C 0.40964(17) 1.10241(16) 0.31530(7) 0.0220(3) Uani 1 1 d . . .
H13A H 0.3309 1.0583 0.2827 0.026 Uiso 1 1 calc R . .
C14 C 0.21509(15) 1.16612(15) 0.44458(7) 0.0174(3) Uani 1 1 d . . .
C15 C 0.24320(18) 1.30298(17) 0.43458(7) 0.0238(3) Uani 1 1 d . . .
H15A H 0.2949 1.3219 0.4020 0.029 Uiso 1 1 calc R . .
C16 C 0.1972(2) 1.41201(18) 0.47133(8) 0.0298(4) Uani 1 1 d . . .
H16A H 0.2175 1.5044 0.4637 0.036 Uiso 1 1 calc R . .
C17 C 0.12152(19) 1.38660(18) 0.51920(8) 0.0283(4) Uani 1 1 d . . .
H17A H 0.0902 1.4612 0.5445 0.034 Uiso 1 1 calc R . .
C18 C 0.09247(17) 1.25218(18) 0.52962(7) 0.0255(3) Uani 1 1 d . . .
H18A H 0.0398 1.2336 0.5619 0.031 Uiso 1 1 calc R . .
C19 C 0.13994(16) 1.14302(17) 0.49304(7) 0.0210(3) Uani 1 1 d . . .
H19A H 0.1206 1.0512 0.5014 0.025 Uiso 1 1 calc R . .
C20 C -0.11949(17) 0.55481(18) 0.30448(7) 0.0250(3) Uani 1 1 d . . .
H20A H -0.1412 0.6443 0.3278 0.030 Uiso 1 1 calc R . .
C21 C -0.00877(17) 0.49260(18) 0.32471(7) 0.0247(3) Uani 1 1 d . . .
H21A H 0.0617 0.5307 0.3645 0.030 Uiso 1 1 calc R . .
C22 C -0.02294(18) 0.36080(17) 0.28086(8) 0.0261(3) Uani 1 1 d . . .
H22A H 0.0371 0.2908 0.2844 0.031 Uiso 1 1 calc R . .
C23 C -0.14279(18) 0.34040(18) 0.23411(8) 0.0269(4) Uani 1 1 d . . .
H23A H -0.1826 0.2539 0.1990 0.032 Uiso 1 1 calc R . .
C24 C -0.20136(17) 0.46209(19) 0.24865(8) 0.0266(4) Uani 1 1 d . . .
H24A H -0.2907 0.4752 0.2257 0.032 Uiso 1 1 calc R . .
C25 C 0.10684(17) 0.57223(19) 0.08714(7) 0.0258(3) Uani 1 1 d . . .
H25A H 0.0908 0.4801 0.0560 0.031 Uiso 1 1 calc R . .
H25B H 0.1094 0.6477 0.0636 0.031 Uiso 1 1 calc R . .
C26 C 0.24893(16) 0.59871(17) 0.13003(7) 0.0214(3) Uani 1 1 d . . .
H26A H 0.2871 0.7021 0.1468 0.026 Uiso 1 1 calc R . .
H26B H 0.3178 0.5601 0.1057 0.026 Uiso 1 1 calc R . .
C27 C -0.18367(17) 0.42874(16) 0.07968(7) 0.0194(3) Uani 1 1 d . . .
C28 C -0.31877(18) 0.44832(18) 0.06195(8) 0.0258(3) Uani 1 1 d . . .
H28A H -0.3409 0.5369 0.0783 0.031 Uiso 1 1 calc R . .
C29 C -0.42208(19) 0.34013(19) 0.02067(8) 0.0326(4) Uani 1 1 d . . .
H29A H -0.5141 0.3548 0.0093 0.039 Uiso 1 1 calc R . .
C30 C -0.3907(2) 0.21155(18) -0.00375(8) 0.0331(4) Uani 1 1 d . . .
H30A H -0.4601 0.1385 -0.0329 0.040 Uiso 1 1 calc R . .
C31 C -0.2584(2) 0.18951(18) 0.01428(8) 0.0317(4) Uani 1 1 d . . .
H31A H -0.2370 0.1007 -0.0022 0.038 Uiso 1 1 calc R . .
C32 C -0.15610(19) 0.29599(17) 0.05639(7) 0.0255(3) Uani 1 1 d . . .
H32A H -0.0663 0.2784 0.0695 0.031 Uiso 1 1 calc R . .
C33 C -0.11437(17) 0.72346(16) 0.12407(7) 0.0211(3) Uani 1 1 d . . .
C34 C -0.17149(18) 0.79416(17) 0.17295(8) 0.0260(3) Uani 1 1 d . . .
H34A H -0.1653 0.7678 0.2122 0.031 Uiso 1 1 calc R . .
C35 C -0.2376(2) 0.90302(19) 0.16499(9) 0.0326(4) Uani 1 1 d . . .
H35A H -0.2762 0.9507 0.1988 0.039 Uiso 1 1 calc R . .
C36 C -0.2473(2) 0.94209(19) 0.10797(9) 0.0353(4) Uani 1 1 d . . .
H36A H -0.2916 1.0172 0.1027 0.042 Uiso 1 1 calc R . .
C37 C -0.1921(2) 0.87137(19) 0.05878(9) 0.0365(4) Uani 1 1 d . . .
H37A H -0.1998 0.8970 0.0194 0.044 Uiso 1 1 calc R . .
C38 C -0.1259(2) 0.76339(18) 0.06674(8) 0.0291(4) Uani 1 1 d . . .
H38A H -0.0877 0.7158 0.0328 0.035 Uiso 1 1 calc R . .
C39 C 0.25231(17) 0.33305(16) 0.16587(7) 0.0198(3) Uani 1 1 d . . .
C40 C 0.14845(18) 0.21260(16) 0.16332(7) 0.0239(3) Uani 1 1 d . . .
H40A H 0.0575 0.2223 0.1724 0.029 Uiso 1 1 calc R . .
C41 C 0.1761(2) 0.07801(18) 0.14757(8) 0.0320(4) Uani 1 1 d . . .
H41A H 0.1048 -0.0035 0.1467 0.038 Uiso 1 1 calc R . .
C42 C 0.3072(2) 0.06331(19) 0.13323(8) 0.0351(4) Uani 1 1 d . . .
H42A H 0.3273 -0.0283 0.1237 0.042 Uiso 1 1 calc R . .
C43 C 0.4097(2) 0.1818(2) 0.13274(8) 0.0347(4) Uani 1 1 d . . .
H43A H 0.4985 0.1711 0.1210 0.042 Uiso 1 1 calc R . .
C44 C 0.38269(19) 0.31601(18) 0.14942(8) 0.0276(4) Uani 1 1 d . . .
H44A H 0.4538 0.3971 0.1496 0.033 Uiso 1 1 calc R . .
C45 C 0.38440(16) 0.58919(17) 0.25438(7) 0.0212(3) Uani 1 1 d . . .
C46 C 0.42245(19) 0.51134(19) 0.29735(8) 0.0285(4) Uani 1 1 d . . .
H46A H 0.3751 0.4147 0.2913 0.034 Uiso 1 1 calc R . .
C47 C 0.5292(2) 0.5748(2) 0.34884(9) 0.0410(5) Uani 1 1 d . . .
H47A H 0.5550 0.5216 0.3779 0.049 Uiso 1 1 calc R . .
C48 C 0.5979(2) 0.7155(2) 0.35780(10) 0.0474(6) Uani 1 1 d . . .
H48A H 0.6697 0.7593 0.3934 0.057 Uiso 1 1 calc R . .
C49 C 0.5625(2) 0.7924(2) 0.31522(11) 0.0433(5) Uani 1 1 d . . .
H49A H 0.6109 0.8887 0.3213 0.052 Uiso 1 1 calc R . .
C50 C 0.45654(18) 0.72999(19) 0.26361(9) 0.0308(4) Uani 1 1 d . . .
H50A H 0.4330 0.7836 0.2343 0.037 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Ru1 P1 86.10(4) . . ?
C1 Ru1 P2 83.03(4) . . ?
P1 Ru1 P2 84.434(14) . . ?
C1 Ru1 C24 121.82(6) . . ?
P1 Ru1 C24 97.51(4) . . ?
P2 Ru1 C24 155.12(5) . . ?
C1 Ru1 C20 95.28(6) . . ?
P1 Ru1 C20 123.50(5) . . ?
P2 Ru1 C20 151.94(5) . . ?
C24 Ru1 C20 36.57(6) . . ?
C1 Ru1 C21 102.29(6) . . ?
P1 Ru1 C21 158.16(4) . . ?
P2 Ru1 C21 116.34(5) . . ?
C24 Ru1 C21 60.88(6) . . ?
C20 Ru1 C21 36.51(6) . . ?
C1 Ru1 C22 136.12(6) . . ?
P1 Ru1 C22 137.61(5) . . ?
P2 Ru1 C22 101.59(4) . . ?
C24 Ru1 C22 60.65(6) . . ?
C20 Ru1 C22 60.78(6) . . ?
C21 Ru1 C22 36.45(6) . . ?
C1 Ru1 C23 156.08(6) . . ?
P1 Ru1 C23 104.45(4) . . ?
P2 Ru1 C23 118.87(5) . . ?
C24 Ru1 C23 36.56(6) . . ?
C20 Ru1 C23 60.93(6) . . ?
C21 Ru1 C23 60.74(6) . . ?
C22 Ru1 C23 36.14(6) . . ?
C33 P1 C27 98.74(7) . . ?
C33 P1 C25 106.07(8) . . ?
C27 P1 C25 101.69(7) . . ?
C33 P1 Ru1 119.94(5) . . ?
C27 P1 Ru1 116.36(5) . . ?
C25 P1 Ru1 111.78(5) . . ?
C45 P2 C39 100.52(7) . . ?
C45 P2 C26 105.41(7) . . ?
C39 P2 C26 103.94(7) . . ?
C45 P2 Ru1 115.64(5) . . ?
C39 P2 Ru1 120.06(5) . . ?
C26 P2 Ru1 109.70(5) . . ?
C7 O2 C3 114.33(12) . . ?
O1 C1 C2 112.44(12) . . ?
O1 C1 Ru1 126.47(11) . . ?
C2 C1 Ru1 121.09(10) . . ?
C6 C2 C1 129.80(14) . . ?
C6 C2 C3 109.57(13) . . ?
C1 C2 C3 120.38(12) . . ?
O2 C3 C2 105.63(11) . . ?
O2 C3 C4 111.46(11) . . ?
C2 C3 C4 102.97(12) . . ?
C14 C4 C8 109.28(11) . . ?
C14 C4 C5 116.67(12) . . ?
C8 C4 C5 106.96(12) . . ?
C14 C4 C3 110.49(12) . . ?
C8 C4 C3 112.02(11) . . ?
C5 C4 C3 101.24(11) . . ?
C6 C5 C4 102.44(11) . . ?
C2 C6 C5 112.46(13) . . ?
C13 C8 C9 117.86(14) . . ?
C13 C8 C4 124.76(13) . . ?
C9 C8 C4 117.37(13) . . ?
C10 C9 C8 121.64(15) . . ?
C9 C10 C11 119.85(16) . . ?
C12 C11 C10 119.40(15) . . ?
C11 C12 C13 120.77(15) . . ?
C8 C13 C12 120.46(15) . . ?
C19 C14 C15 117.59(14) . . ?
C19 C14 C4 122.49(13) . . ?
C15 C14 C4 119.76(13) . . ?
C16 C15 C14 121.28(15) . . ?
C15 C16 C17 120.27(16) . . ?
C18 C17 C16 119.26(15) . . ?
C17 C18 C19 120.41(15) . . ?
C14 C19 C18 121.19(15) . . ?
C24 C20 C21 108.10(15) . . ?
C24 C20 Ru1 71.73(9) . . ?
C21 C20 Ru1 72.37(8) . . ?
C20 C21 C22 107.65(14) . . ?
C20 C21 Ru1 71.12(8) . . ?
C22 C21 Ru1 72.05(9) . . ?
C23 C22 C21 108.59(15) . . ?
C23 C22 Ru1 72.40(9) . . ?
C21 C22 Ru1 71.50(9) . . ?
C22 C23 C24 107.23(15) . . ?
C22 C23 Ru1 71.46(9) . . ?
C24 C23 Ru1 70.38(9) . . ?
C20 C24 C23 108.42(15) . . ?
C20 C24 Ru1 71.70(9) . . ?
C23 C24 Ru1 73.06(9) . . ?
C26 C25 P1 111.50(10) . . ?
C25 C26 P2 109.36(10) . . ?
C28 C27 C32 117.99(14) . . ?
C28 C27 P1 122.61(12) . . ?
C32 C27 P1 119.39(12) . . ?
C29 C28 C27 121.02(16) . . ?
C30 C29 C28 119.97(17) . . ?
C31 C30 C29 119.72(16) . . ?
C30 C31 C32 120.49(16) . . ?
C31 C32 C27 120.73(16) . . ?
C34 C33 C38 118.55(15) . . ?
C34 C33 P1 119.85(12) . . ?
C38 C33 P1 121.31(12) . . ?
C35 C34 C33 120.64(16) . . ?
C36 C35 C34 120.12(17) . . ?
C37 C36 C35 119.71(17) . . ?
C36 C37 C38 120.20(17) . . ?
C37 C38 C33 120.77(17) . . ?
C40 C39 C44 118.62(14) . . ?
C40 C39 P2 121.02(12) . . ?
C44 C39 P2 120.21(12) . . ?
C39 C40 C41 120.82(16) . . ?
C42 C41 C40 119.77(17) . . ?
C41 C42 C43 120.13(16) . . ?
C42 C43 C44 119.94(17) . . ?
C43 C44 C39 120.63(17) . . ?
C50 C45 C46 118.95(15) . . ?
C50 C45 P2 121.96(13) . . ?
C46 C45 P2 118.35(12) . . ?
C47 C46 C45 120.21(17) . . ?
C48 C47 C46 119.97(19) . . ?
C49 C48 C47 120.21(18) . . ?
C48 C49 C50 120.28(19) . . ?
C49 C50 C45 120.37(18) . . ?
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 2.0296(15) . ?
Ru1 P1 2.2307(4) . ?
Ru1 P2 2.2501(4) . ?
Ru1 C24 2.2521(15) . ?
Ru1 C20 2.2516(15) . ?
Ru1 C21 2.2678(14) . ?
Ru1 C22 2.2749(15) . ?
Ru1 C23 2.2871(15) . ?
P1 C33 1.8311(16) . ?
P1 C27 1.8456(15) . ?
P1 C25 1.8624(16) . ?
P2 C45 1.8255(16) . ?
P2 C39 1.8368(15) . ?
P2 C26 1.8455(15) . ?
O1 C1 1.2437(18) . ?
O2 C7 1.4187(19) . ?
O2 C3 1.4342(17) . ?
C1 C2 1.5101(19) . ?
C2 C6 1.329(2) . ?
C2 C3 1.514(2) . ?
C3 C4 1.563(2) . ?
C4 C14 1.530(2) . ?
C4 C8 1.5332(19) . ?
C4 C5 1.561(2) . ?
C5 C6 1.509(2) . ?
C8 C13 1.389(2) . ?
C8 C9 1.400(2) . ?
C9 C10 1.380(2) . ?
C10 C11 1.388(2) . ?
C11 C12 1.378(2) . ?
C12 C13 1.396(2) . ?
C14 C19 1.392(2) . ?
C14 C15 1.395(2) . ?
C15 C16 1.388(2) . ?
C16 C17 1.388(2) . ?
C17 C18 1.376(2) . ?
C18 C19 1.395(2) . ?
C20 C24 1.413(2) . ?
C20 C21 1.416(2) . ?
C21 C22 1.421(2) . ?
C22 C23 1.415(2) . ?
C23 C24 1.424(2) . ?
C25 C26 1.525(2) . ?
C27 C28 1.391(2) . ?
C27 C32 1.395(2) . ?
C28 C29 1.393(2) . ?
C29 C30 1.380(3) . ?
C30 C31 1.377(3) . ?
C31 C32 1.387(2) . ?
C33 C34 1.389(2) . ?
C33 C38 1.395(2) . ?
C34 C35 1.389(2) . ?
C35 C36 1.384(3) . ?
C36 C37 1.382(3) . ?
C37 C38 1.382(2) . ?
C39 C40 1.389(2) . ?
C39 C44 1.392(2) . ?
C40 C41 1.391(2) . ?
C41 C42 1.379(3) . ?
C42 C43 1.385(3) . ?
C43 C44 1.387(2) . ?
C45 C50 1.392(2) . ?
C45 C46 1.398(2) . ?
C46 C47 1.389(3) . ?
C47 C48 1.382(3) . ?
C48 C49 1.377(3) . ?
C49 C50 1.385(3) . ?
