#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/47/2224772.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2224772
loop_
_publ_author_name
'bin Shawkataly, Omar'
'Khan, Imthyaz Ahmed'
'Yeap, Chin Sing'
'Fun, Hoong-Kun'
_publ_section_title
;Bis{[μ-bis(diphenylphosphino)methane-1:2κ²P:P']nonacarbonyl-1κ³C,2κ³C,3κ³C-[tris(4-methoxyphenyl)arsine-3κAs]-triangulo-triruthenium(0)}
 dichloromethane solvate
;
_journal_coeditor_code           SJ2701
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m30
_journal_page_last               m31
_journal_paper_doi               10.1107/S1600536809052088
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'2[Ru3 (C21 H21 As O3) (C25 H22 P2) (C O)9], C H2 Cl2'
_chemical_formula_moiety         '2C55 H43 As O12 P2 Ru3, C H2 Cl2'
_chemical_formula_sum            'C111 H88 As2 Cl2 O24 P4 Ru6'
_chemical_formula_weight         2756.85
_chemical_name_systematic
;
Bis{[μ-bis(diphenylphosphino)methane-1:2κ²P:
P']nonacarbonyl-1κ³C,2κ³C,3κ³C-
[tris(4-methoxyphenyl)arsine-3\kAs]-triangulo-triruthenium(0)}
dichloromethane solvate
;
_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                95.5230(10)
_cell_angle_beta                 101.3150(10)
_cell_angle_gamma                103.9290(10)
_cell_formula_units_Z            1
_cell_length_a                   10.74280(10)
_cell_length_b                   12.67310(10)
_cell_length_c                   20.6529(2)
_cell_measurement_reflns_used    9697
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.11
_cell_measurement_theta_min      2.82
_cell_volume                     2645.47(5)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector diffractometer
;
_diffrn_measurement_method       'φ and ω 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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            123575
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.7969
_exptl_absorpt_correction_T_min  0.6372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.716
_refine_diff_density_min         -1.336
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         23203
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0229P)²+1.6547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                20247
_reflns_number_total             23203
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2701.cif
_cod_data_source_block           I
_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 

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_cell_volume        2645.47(4)
_cod_database_code               2224772
_cod_database_fobs_code          2224772
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.745666(9) 0.425733(8) 0.272810(5) 0.01139(2) Uani d . 1 . .
Ru Ru2 0.569657(9) 0.487278(8) 0.171185(4) 0.01062(2) Uani d . 1 . .
Ru Ru3 0.803319(9) 0.646604(8) 0.240008(5) 0.01147(2) Uani d . 1 . .
As As1 1.032151(12) 0.748971(10) 0.288763(6) 0.01240(2) Uani d . 1 . .
P P1 0.64526(3) 0.23960(3) 0.236633(15) 0.01201(5) Uani d . 1 . .
P P2 0.41178(3) 0.32412(3) 0.168781(15) 0.01140(5) Uani d . 1 . .
O O1 0.54704(10) 0.46246(9) 0.35615(5) 0.01989(18) Uani d . 1 . .
O O2 0.92704(11) 0.39895(10) 0.39911(5) 0.0257(2) Uani d . 1 . .
O O3 0.95575(10) 0.42132(10) 0.19116(6) 0.0241(2) Uani d . 1 . .
O O4 0.69735(10) 0.36155(9) 0.07987(5) 0.02031(18) Uani d . 1 . .
O O5 0.45036(12) 0.58679(10) 0.05376(6) 0.0284(2) Uani d . 1 . .
O O6 0.46711(10) 0.63687(9) 0.26185(5) 0.0227(2) Uani d . 1 . .
O O7 0.88918(11) 0.59722(9) 0.10904(5) 0.0227(2) Uani d . 1 . .
O O8 0.68903(12) 0.83005(9) 0.19351(6) 0.0267(2) Uani d . 1 . .
O O9 0.73330(11) 0.68897(9) 0.37569(5) 0.0252(2) Uani d . 1 . .
O O10 1.12273(12) 1.16961(9) 0.48187(5) 0.0266(2) Uani d . 1 . .
O O11 1.40724(11) 0.61008(10) 0.50258(5) 0.0236(2) Uani d . 1 . .
O O12 1.34237(11) 0.92350(9) 0.08579(5) 0.0238(2) Uani d . 1 . .
C C1 0.60776(12) 0.14917(10) 0.29888(6) 0.0155(2) Uani d . 1 . .
C C2 0.61938(14) 0.19130(12) 0.36533(7) 0.0200(2) Uani d . 1 . .
H H2A 0.6434 0.2670 0.3788 0.024 Uiso calc R 1 . .
C C3 0.59509(17) 0.12028(14) 0.41183(8) 0.0268(3) Uani d . 1 . .
H H3A 0.6027 0.1488 0.4561 0.032 Uiso calc R 1 . .
C C4 0.55954(17) 0.00719(14) 0.39210(9) 0.0297(3) Uani d . 1 . .
H H4A 0.5440 -0.0399 0.4232 0.036 Uiso calc R 1 . .
C C5 0.54714(17) -0.03567(13) 0.32580(9) 0.0282(3) Uani d . 1 . .
H H5A 0.5230 -0.1114 0.3126 0.034 Uiso calc R 1 . .
C C6 0.57086(15) 0.03478(11) 0.27945(8) 0.0220(3) Uani d . 1 . .
H H6A 0.5622 0.0059 0.2352 0.026 Uiso calc R 1 . .
C C7 0.74231(12) 0.16477(10) 0.19620(6) 0.0144(2) Uani d . 1 . .
C C8 0.86801(13) 0.16990(12) 0.23303(7) 0.0207(2) Uani d . 1 . .
H H8A 0.8992 0.2122 0.2751 0.025 Uiso calc R 1 . .
C C9 0.94680(14) 0.11242(12) 0.20732(8) 0.0245(3) Uani d . 1 . .
H H9A 1.0302 0.1162 0.2323 0.029 Uiso calc R 1 . .
C C10 0.90165(14) 0.04942(12) 0.14450(8) 0.0233(3) Uani d . 1 . .
H H10A 0.9546 0.0110 0.1274 0.028 Uiso calc R 1 . .
C C11 0.77749(15) 0.04389(13) 0.10737(8) 0.0246(3) Uani d . 1 . .
H H11A 0.7473 0.0022 0.0651 0.030 Uiso calc R 1 . .
C C12 0.69770(14) 0.10064(12) 0.13319(7) 0.0207(2) Uani d . 1 . .
H H12A 0.6139 0.0958 0.1082 0.025 Uiso calc R 1 . .
C C13 0.48897(12) 0.20925(10) 0.17294(6) 0.01391(19) Uani d . 1 . .
H H13A 0.5057 0.1893 0.1295 0.017 Uiso calc R 1 . .
H H13B 0.4274 0.1462 0.1824 0.017 Uiso calc R 1 . .
C C14 0.28467(12) 0.27167(10) 0.09186(6) 0.0140(2) Uani d . 1 . .
C C15 0.32348(13) 0.27282(12) 0.03100(6) 0.0189(2) Uani d . 1 . .
H H15A 0.4117 0.3006 0.0307 0.023 Uiso calc R 1 . .
C C16 0.23111(15) 0.23281(13) -0.02891(7) 0.0229(3) Uani d . 1 . .
H H16A 0.2579 0.2328 -0.0691 0.027 Uiso calc R 1 . .
C C17 0.09873(15) 0.19283(12) -0.02904(7) 0.0231(3) Uani d . 1 . .
H H17A 0.0368 0.1672 -0.0692 0.028 Uiso calc R 1 . .
C C18 0.05952(14) 0.19133(13) 0.03066(8) 0.0252(3) Uani d . 1 . .
H H18A -0.0290 0.1641 0.0305 0.030 Uiso calc R 1 . .
C C19 0.15155(13) 0.23028(12) 0.09126(7) 0.0206(2) Uani d . 1 . .
H H19A 0.1242 0.2287 0.1313 0.025 Uiso calc R 1 . .
C C20 0.32108(12) 0.31633(10) 0.23455(6) 0.01380(19) Uani d . 1 . .
C C21 0.25630(12) 0.39752(11) 0.24622(6) 0.0165(2) Uani d . 1 . .
H H21A 0.2544 0.4506 0.2182 0.020 Uiso calc R 1 . .
C C22 0.19488(13) 0.39905(12) 0.29952(7) 0.0202(2) Uani d . 1 . .
H H22A 0.1528 0.4536 0.3072 0.024 Uiso calc R 1 . .
C C23 0.19606(14) 0.31958(14) 0.34120(7) 0.0230(3) Uani d . 1 . .
H H23A 0.1559 0.3213 0.3771 0.028 Uiso calc R 1 . .
C C24 0.25741(14) 0.23753(13) 0.32909(7) 0.0222(3) Uani d . 1 . .
H H24A 0.2571 0.1836 0.3566 0.027 Uiso calc R 1 . .
C C25 0.31950(12) 0.23542(11) 0.27597(6) 0.0170(2) Uani d . 1 . .
H H25A 0.3601 0.1799 0.2681 0.020 Uiso calc R 1 . .
C C26 1.05575(12) 0.88441(10) 0.34835(6) 0.0149(2) Uani d . 1 . .
C C27 0.95099(13) 0.92839(11) 0.35364(7) 0.0183(2) Uani d . 1 . .
H H27A 0.8679 0.8939 0.3269 0.022 Uiso calc R 1 . .
C C28 0.96792(14) 1.02354(11) 0.39841(7) 0.0201(2) Uani d . 1 . .
H H28A 0.8968 1.0520 0.4015 0.024 Uiso calc R 1 . .
C C29 1.09228(15) 1.07508(11) 0.43817(7) 0.0190(2) Uani d . 1 . .
C C30 1.19835(15) 1.03087(11) 0.43365(7) 0.0213(2) Uani d . 1 . .
H H30A 1.2813 1.0647 0.4608 0.026 Uiso calc R 1 . .
C C31 1.18005(13) 0.93698(11) 0.38893(7) 0.0189(2) Uani d . 1 . .
H H31A 1.2511 0.9085 0.3858 0.023 Uiso calc R 1 . .
C C32 1.15368(12) 0.68892(10) 0.34692(6) 0.0140(2) Uani d . 1 . .
C C33 1.10840(13) 0.63630(11) 0.39765(6) 0.0167(2) Uani d . 1 . .
H H33A 1.0190 0.6188 0.3972 0.020 Uiso calc R 1 . .
C C34 1.19494(14) 0.60997(12) 0.44847(7) 0.0191(2) Uani d . 1 . .
H H34A 1.1638 0.5755 0.4821 0.023 Uiso calc R 1 . .
C C35 1.32949(13) 0.63521(11) 0.44929(6) 0.0176(2) Uani d . 1 . .
C C36 1.37556(13) 0.68384(11) 0.39775(6) 0.0173(2) Uani d . 1 . .
H H36A 1.4643 0.6981 0.3971 0.021 Uiso calc R 1 . .
C C37 1.28696(13) 0.71086(11) 0.34721(7) 0.0166(2) Uani d . 1 . .
H H37A 1.3177 0.7442 0.3131 0.020 Uiso calc R 1 . .
C C38 1.13298(12) 0.80171(10) 0.22457(6) 0.0145(2) Uani d . 1 . .
C C39 1.18482(14) 0.73120(10) 0.18772(7) 0.0176(2) Uani d . 1 . .
H H39A 1.1714 0.6582 0.1944 0.021 Uiso calc R 1 . .
C C40 1.25609(14) 0.76895(11) 0.14126(7) 0.0195(2) Uani d . 1 . .
H H40A 1.2924 0.7220 0.1181 0.023 Uiso calc R 1 . .
C C41 1.27291(13) 0.87730(11) 0.12957(6) 0.0172(2) Uani d . 1 . .
C C42 1.21673(13) 0.94699(11) 0.16395(7) 0.0170(2) Uani d . 1 . .
H H42A 1.2245 1.0184 0.1548 0.020 Uiso calc R 1 . .
C C43 1.14927(12) 0.90978(10) 0.21176(6) 0.0158(2) Uani d . 1 . .
H H43A 1.1146 0.9573 0.2355 0.019 Uiso calc R 1 . .
C C44 0.61781(13) 0.45018(10) 0.32303(6) 0.0154(2) Uani d . 1 . .
C C45 0.86226(13) 0.41157(11) 0.35056(7) 0.0173(2) Uani d . 1 . .
C C46 0.87634(13) 0.42870(11) 0.21981(7) 0.0173(2) Uani d . 1 . .
C C47 0.65515(12) 0.41014(10) 0.11587(6) 0.0150(2) Uani d . 1 . .
C C48 0.49368(13) 0.54928(11) 0.09827(7) 0.0171(2) Uani d . 1 . .
C C49 0.50943(12) 0.57944(11) 0.23128(6) 0.0161(2) Uani d . 1 . .
C C50 0.85260(13) 0.61005(10) 0.15679(6) 0.0164(2) Uani d . 1 . .
C C51 0.73810(13) 0.76296(11) 0.21037(6) 0.0172(2) Uani d . 1 . .
C C52 0.75643(13) 0.66540(11) 0.32505(7) 0.0177(2) Uani d . 1 . .
C C53 1.01782(19) 1.21524(13) 0.49108(8) 0.0299(3) Uani d . 1 . .
H H53A 1.0525 1.2839 0.5207 0.045 Uiso calc R 1 . .
H H53B 0.9577 1.1652 0.5100 0.045 Uiso calc R 1 . .
H H53C 0.9724 1.2275 0.4488 0.045 Uiso calc R 1 . .
C C54 1.54628(15) 0.63830(14) 0.50655(8) 0.0258(3) Uani d . 1 . .
H H54A 1.5902 0.6165 0.5461 0.039 Uiso calc R 1 . .
H H54B 1.5782 0.7163 0.5083 0.039 Uiso calc R 1 . .
H H54C 1.5636 0.6010 0.4679 0.039 Uiso calc R 1 . .
C C55 1.40600(18) 0.85522(14) 0.05196(8) 0.0302(3) Uani d . 1 . .
H H55A 1.4553 0.8970 0.0245 0.045 Uiso calc R 1 . .
H H55B 1.3408 0.7934 0.0244 0.045 Uiso calc R 1 . .
H H55C 1.4645 0.8296 0.0843 0.045 Uiso calc R 1 . .
Cl Cl1 0.88282(6) 0.50832(5) -0.04776(3) 0.04631(12) Uani d . 1 . .
C C56 1.0352(3) 0.5652(2) -0.00469(16) 0.0247(5) Uani d P 0.50 . .
H H56A 1.0344 0.6309 0.0223 0.030 Uiso d PR 0.50 . .
H H56B 1.0877 0.5875 -0.0361 0.030 Uiso d PR 0.50 . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C45 Ru1 C46 . . 92.43(6) ?
C45 Ru1 C44 . . 91.81(5) ?
C46 Ru1 C44 . . 169.56(5) ?
C45 Ru1 P1 . . 97.70(4) ?
C46 Ru1 P1 . . 93.18(4) ?
C44 Ru1 P1 . . 95.70(4) ?
C45 Ru1 Ru2 . . 168.35(4) ?
C46 Ru1 Ru2 . . 93.26(4) ?
C44 Ru1 Ru2 . . 80.96(4) ?
P1 Ru1 Ru2 . . 92.128(8) ?
C45 Ru1 Ru3 . . 112.70(4) ?
C46 Ru1 Ru3 . . 75.74(4) ?
C44 Ru1 Ru3 . . 93.83(4) ?
P1 Ru1 Ru3 . . 147.777(9) ?
Ru2 Ru1 Ru3 . . 59.149(3) ?
C48 Ru2 C49 . . 89.82(5) ?
C48 Ru2 C47 . . 92.03(5) ?
C49 Ru2 C47 . . 171.56(5) ?
C48 Ru2 P2 . . 103.83(4) ?
C49 Ru2 P2 . . 97.23(4) ?
C47 Ru2 P2 . . 90.32(4) ?
C48 Ru2 Ru3 . . 106.51(4) ?
C49 Ru2 Ru3 . . 76.49(4) ?
C47 Ru2 Ru3 . . 95.10(4) ?
P2 Ru2 Ru3 . . 148.940(9) ?
C48 Ru2 Ru1 . . 164.95(4) ?
C49 Ru2 Ru1 . . 95.44(4) ?
C47 Ru2 Ru1 . . 80.81(4) ?
P2 Ru2 Ru1 . . 89.521(8) ?
Ru3 Ru2 Ru1 . . 61.397(3) ?
C51 Ru3 C52 . . 93.26(6) ?
C51 Ru3 C50 . . 93.52(5) ?
C52 Ru3 C50 . . 172.95(5) ?
C51 Ru3 As1 . . 98.90(4) ?
C52 Ru3 As1 . . 91.63(4) ?
C50 Ru3 As1 . . 89.25(4) ?
C51 Ru3 Ru2 . . 92.28(4) ?
C52 Ru3 Ru2 . . 97.53(4) ?
C50 Ru3 Ru2 . . 80.25(4) ?
As1 Ru3 Ru2 . . 165.117(5) ?
C51 Ru3 Ru1 . . 147.69(4) ?
C52 Ru3 Ru1 . . 76.85(4) ?
C50 Ru3 Ru1 . . 96.33(4) ?
As1 Ru3 Ru1 . . 111.900(5) ?
Ru2 Ru3 Ru1 . . 59.454(3) ?
C38 As1 C32 . . 102.09(5) ?
C38 As1 C26 . . 101.52(5) ?
C32 As1 C26 . . 97.20(5) ?
C38 As1 Ru3 . . 114.76(4) ?
C32 As1 Ru3 . . 122.65(4) ?
C26 As1 Ru3 . . 115.26(4) ?
C7 P1 C1 . . 98.79(6) ?
C7 P1 C13 . . 102.47(6) ?
C1 P1 C13 . . 104.49(6) ?
C7 P1 Ru1 . . 115.03(4) ?
C1 P1 Ru1 . . 118.96(4) ?
C13 P1 Ru1 . . 114.70(4) ?
C20 P2 C14 . . 104.26(6) ?
C20 P2 C13 . . 105.29(6) ?
C14 P2 C13 . . 99.97(6) ?
C20 P2 Ru2 . . 117.87(4) ?
C14 P2 Ru2 . . 117.41(4) ?
C13 P2 Ru2 . . 109.99(4) ?
C29 O10 C53 . . 117.49(13) ?
C35 O11 C54 . . 117.37(11) ?
C41 O12 C55 . . 116.68(12) ?
C2 C1 C6 . . 119.10(12) ?
C2 C1 P1 . . 121.73(10) ?
C6 C1 P1 . . 119.13(10) ?
C1 C2 C3 . . 120.26(13) ?
C1 C2 H2A . . 119.9 ?
C3 C2 H2A . . 119.9 ?
C4 C3 C2 . . 120.12(15) ?
C4 C3 H3A . . 119.9 ?
C2 C3 H3A . . 119.9 ?
C3 C4 C5 . . 120.04(14) ?
C3 C4 H4A . . 120.0 ?
C5 C4 H4A . . 120.0 ?
C6 C5 C4 . . 119.93(14) ?
C6 C5 H5A . . 120.0 ?
C4 C5 H5A . . 120.0 ?
C5 C6 C1 . . 120.54(14) ?
C5 C6 H6A . . 119.7 ?
C1 C6 H6A . . 119.7 ?
C12 C7 C8 . . 118.63(12) ?
C12 C7 P1 . . 124.75(10) ?
C8 C7 P1 . . 116.57(10) ?
C9 C8 C7 . . 120.57(13) ?
C9 C8 H8A . . 119.7 ?
C7 C8 H8A . . 119.7 ?
C10 C9 C8 . . 120.28(13) ?
C10 C9 H9A . . 119.9 ?
C8 C9 H9A . . 119.9 ?
C11 C10 C9 . . 119.77(13) ?
C11 C10 H10A . . 120.1 ?
C9 C10 H10A . . 120.1 ?
C10 C11 C12 . . 120.14(14) ?
C10 C11 H11A . . 119.9 ?
C12 C11 H11A . . 119.9 ?
C11 C12 C7 . . 120.60(13) ?
C11 C12 H12A . . 119.7 ?
C7 C12 H12A . . 119.7 ?
P2 C13 P1 . . 114.19(6) ?
P2 C13 H13A . . 108.7 ?
P1 C13 H13A . . 108.7 ?
P2 C13 H13B . . 108.7 ?
P1 C13 H13B . . 108.7 ?
H13A C13 H13B . . 107.6 ?
C19 C14 C15 . . 118.92(12) ?
C19 C14 P2 . . 122.99(10) ?
C15 C14 P2 . . 118.08(9) ?
C16 C15 C14 . . 120.45(13) ?
C16 C15 H15A . . 119.8 ?
C14 C15 H15A . . 119.8 ?
C15 C16 C17 . . 120.21(13) ?
C15 C16 H16A . . 119.9 ?
C17 C16 H16A . . 119.9 ?
C18 C17 C16 . . 119.76(13) ?
C18 C17 H17A . . 120.1 ?
C16 C17 H17A . . 120.1 ?
C17 C18 C19 . . 120.60(14) ?
C17 C18 H18A . . 119.7 ?
C19 C18 H18A . . 119.7 ?
C18 C19 C14 . . 120.04(13) ?
C18 C19 H19A . . 120.0 ?
C14 C19 H19A . . 120.0 ?
C25 C20 C21 . . 118.98(11) ?
C25 C20 P2 . . 122.11(10) ?
C21 C20 P2 . . 118.83(9) ?
C22 C21 C20 . . 120.29(12) ?
C22 C21 H21A . . 119.9 ?
C20 C21 H21A . . 119.9 ?
C23 C22 C21 . . 120.30(13) ?
C23 C22 H22A . . 119.8 ?
C21 C22 H22A . . 119.8 ?
C24 C23 C22 . . 119.75(13) ?
C24 C23 H23A . . 120.1 ?
C22 C23 H23A . . 120.1 ?
C23 C24 C25 . . 120.39(13) ?
C23 C24 H24A . . 119.8 ?
C25 C24 H24A . . 119.8 ?
C24 C25 C20 . . 120.25(13) ?
C24 C25 H25A . . 119.9 ?
C20 C25 H25A . . 119.9 ?
C27 C26 C31 . . 118.76(12) ?
C27 C26 As1 . . 121.69(10) ?
C31 C26 As1 . . 119.50(9) ?
C26 C27 C28 . . 121.30(13) ?
C26 C27 H27A . . 119.3 ?
C28 C27 H27A . . 119.3 ?
C29 C28 C27 . . 119.21(13) ?
C29 C28 H28A . . 120.4 ?
C27 C28 H28A . . 120.4 ?
O10 C29 C28 . . 125.03(13) ?
O10 C29 C30 . . 115.01(13) ?
C28 C29 C30 . . 119.95(12) ?
C31 C30 C29 . . 120.11(13) ?
C31 C30 H30A . . 119.9 ?
C29 C30 H30A . . 119.9 ?
C30 C31 C26 . . 120.66(13) ?
C30 C31 H31A . . 119.7 ?
C26 C31 H31A . . 119.7 ?
C37 C32 C33 . . 118.73(12) ?
C37 C32 As1 . . 123.00(9) ?
C33 C32 As1 . . 117.45(9) ?
C34 C33 C32 . . 120.79(12) ?
C34 C33 H33A . . 119.6 ?
C32 C33 H33A . . 119.6 ?
C33 C34 C35 . . 119.99(12) ?
C33 C34 H34A . . 120.0 ?
C35 C34 H34A . . 120.0 ?
O11 C35 C36 . . 124.43(12) ?
O11 C35 C34 . . 115.63(12) ?
C36 C35 C34 . . 119.94(12) ?
C35 C36 C37 . . 119.25(12) ?
C35 C36 H36A . . 120.4 ?
C37 C36 H36A . . 120.4 ?
C32 C37 C36 . . 121.23(12) ?
C32 C37 H37A . . 119.4 ?
C36 C37 H37A . . 119.4 ?
C43 C38 C39 . . 118.67(11) ?
C43 C38 As1 . . 120.24(9) ?
C39 C38 As1 . . 121.00(9) ?
C40 C39 C38 . . 120.91(12) ?
C40 C39 H39A . . 119.5 ?
C38 C39 H39A . . 119.5 ?
C39 C40 C41 . . 119.75(12) ?
C39 C40 H40A . . 120.1 ?
C41 C40 H40A . . 120.1 ?
O12 C41 C40 . . 124.72(12) ?
O12 C41 C42 . . 115.49(12) ?
C40 C41 C42 . . 119.78(12) ?
C43 C42 C41 . . 120.12(12) ?
C43 C42 H42A . . 119.9 ?
C41 C42 H42A . . 119.9 ?
C42 C43 C38 . . 120.67(12) ?
C42 C43 H43A . . 119.7 ?
C38 C43 H43A . . 119.7 ?
O1 C44 Ru1 . . 175.51(11) ?
O2 C45 Ru1 . . 175.86(12) ?
O3 C46 Ru1 . . 173.10(12) ?
O4 C47 Ru2 . . 175.10(11) ?
O5 C48 Ru2 . . 178.46(12) ?
O6 C49 Ru2 . . 173.63(12) ?
O7 C50 Ru3 . . 174.12(12) ?
O8 C51 Ru3 . . 174.56(12) ?
O9 C52 Ru3 . . 172.38(12) ?
O10 C53 H53A . . 109.5 ?
O10 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
O10 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
O11 C54 H54A . . 109.5 ?
O11 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
O11 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
O12 C55 H55A . . 109.5 ?
O12 C55 H55B . . 109.5 ?
H55A C55 H55B . . 109.5 ?
O12 C55 H55C . . 109.5 ?
H55A C55 H55C . . 109.5 ?
H55B C55 H55C . . 109.5 ?
C56 Cl1 C56 . 2_765 59.66(18) ?
Cl1 C56 C56 . 2_765 62.8(2) ?
Cl1 C56 Cl1 . 2_765 120.34(18) ?
C56 C56 Cl1 2_765 2_765 57.53(19) ?
Cl1 C56 H56A . . 107.2 ?
C56 C56 H56A 2_765 . 126.2 ?
Cl1 C56 H56A 2_765 . 107.0 ?
Cl1 C56 H56B . . 107.3 ?
C56 C56 H56B 2_765 . 126.8 ?
Cl1 C56 H56B 2_765 . 107.4 ?
H56A C56 H56B . . 107.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C45 . 1.8852(13) ?
Ru1 C46 . 1.9379(14) ?
Ru1 C44 . 1.9391(13) ?
Ru1 P1 . 2.3250(3) ?
Ru1 Ru2 . 2.83841(13) ?
Ru1 Ru3 . 2.89355(13) ?
Ru2 C48 . 1.8988(13) ?
Ru2 C49 . 1.9295(13) ?
Ru2 C47 . 1.9322(13) ?
Ru2 P2 . 2.3266(3) ?
Ru2 Ru3 . 2.82943(14) ?
Ru3 C51 . 1.8822(13) ?
Ru3 C52 . 1.9286(13) ?
Ru3 C50 . 1.9417(13) ?
Ru3 As1 . 2.44581(16) ?
As1 C38 . 1.9399(12) ?
As1 C32 . 1.9405(12) ?
As1 C26 . 1.9458(12) ?
P1 C7 . 1.8300(12) ?
P1 C1 . 1.8421(13) ?
P1 C13 . 1.8499(12) ?
P2 C20 . 1.8175(12) ?
P2 C14 . 1.8272(12) ?
P2 C13 . 1.8416(12) ?
O1 C44 . 1.1449(16) ?
O2 C45 . 1.1515(16) ?
O3 C46 . 1.1457(17) ?
O4 C47 . 1.1473(15) ?
O5 C48 . 1.1446(16) ?
O6 C49 . 1.1483(16) ?
O7 C50 . 1.1427(16) ?
O8 C51 . 1.1502(17) ?
O9 C52 . 1.1500(16) ?
O10 C29 . 1.3580(16) ?
O10 C53 . 1.420(2) ?
O11 C35 . 1.3584(16) ?
O11 C54 . 1.4335(19) ?
O12 C41 . 1.3689(16) ?
O12 C55 . 1.4353(19) ?
C1 C2 . 1.3940(19) ?
C1 C6 . 1.4031(19) ?
C2 C3 . 1.397(2) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.389(2) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.392(2) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.389(2) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C12 . 1.3956(18) ?
C7 C8 . 1.3969(18) ?
C8 C9 . 1.3884(19) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.387(2) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.384(2) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.3925(19) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C19 . 1.3969(18) ?
C14 C15 . 1.4000(18) ?
C15 C16 . 1.3886(19) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.389(2) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.379(2) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.3958(19) ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9300 ?
C20 C25 . 1.3963(17) ?
C20 C21 . 1.4014(18) ?
C21 C22 . 1.3909(18) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.387(2) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.387(2) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.3926(19) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C27 . 1.3884(18) ?
C26 C31 . 1.3980(18) ?
C27 C28 . 1.3984(18) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.390(2) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.400(2) ?
C30 C31 . 1.3827(19) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C37 . 1.3900(17) ?
C32 C33 . 1.3991(17) ?
C33 C34 . 1.3824(19) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.3995(19) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.3943(18) ?
C36 C37 . 1.3958(18) ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C38 C43 . 1.3960(17) ?
C38 C39 . 1.4010(17) ?
C39 C40 . 1.3914(18) ?
C39 H39A . 0.9300 ?
C40 C41 . 1.3922(19) ?
C40 H40A . 0.9300 ?
C41 C42 . 1.3973(19) ?
C42 C43 . 1.3886(18) ?
C42 H42A . 0.9300 ?
C43 H43A . 0.9300 ?
C53 H53A . 0.9600 ?
C53 H53B . 0.9600 ?
C53 H53C . 0.9600 ?
C54 H54A . 0.9600 ?
C54 H54B . 0.9600 ?
C54 H54C . 0.9600 ?
C55 H55A . 0.9600 ?
C55 H55B . 0.9600 ?
C55 H55C . 0.9600 ?
Cl1 C56 . 1.651(3) ?
Cl1 C56 2_765 1.741(3) ?
C56 C56 2_765 1.689(6) ?
C56 Cl1 2_765 1.741(3) ?
C56 H56A . 0.9600 ?
C56 H56B . 0.9602 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C53 H53C O2 1_565 0.9600 2.6000 3.346(2) 135.00 yes
C56 H56A O7 . 0.9600 2.6000 3.116(3) 114.00 yes
C22 H22A Cg1 1_455 0.9300 2.9100 3.5901(16) 131.00 y
C53 H53B Cg2 2_776 0.9600 2.8500 3.6951(17) 147.00 y
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C45 Ru1 Ru2 C48 . . . . 86.4(3) ?
C46 Ru1 Ru2 C48 . . . . -32.64(16) ?
C44 Ru1 Ru2 C48 . . . . 138.62(16) ?
P1 Ru1 Ru2 C48 . . . . -125.95(16) ?
Ru3 Ru1 Ru2 C48 . . . . 38.61(16) ?
C45 Ru1 Ru2 C49 . . . . -23.6(2) ?
C46 Ru1 Ru2 C49 . . . . -142.63(6) ?
C44 Ru1 Ru2 C49 . . . . 28.62(5) ?
P1 Ru1 Ru2 C49 . . . . 124.06(4) ?
Ru3 Ru1 Ru2 C49 . . . . -71.38(4) ?
C45 Ru1 Ru2 C47 . . . . 148.8(2) ?
C46 Ru1 Ru2 C47 . . . . 29.75(5) ?
C44 Ru1 Ru2 C47 . . . . -159.00(5) ?
P1 Ru1 Ru2 C47 . . . . -63.56(4) ?
Ru3 Ru1 Ru2 C47 . . . . 101.00(4) ?
C45 Ru1 Ru2 P2 . . . . -120.8(2) ?
C46 Ru1 Ru2 P2 . . . . 120.14(4) ?
C44 Ru1 Ru2 P2 . . . . -68.60(4) ?
P1 Ru1 Ru2 P2 . . . . 26.836(11) ?
Ru3 Ru1 Ru2 P2 . . . . -168.606(8) ?
C45 Ru1 Ru2 Ru3 . . . . 47.8(2) ?
C46 Ru1 Ru2 Ru3 . . . . -71.25(4) ?
C44 Ru1 Ru2 Ru3 . . . . 100.01(4) ?
P1 Ru1 Ru2 Ru3 . . . . -164.558(9) ?
C48 Ru2 Ru3 C51 . . . . 26.29(6) ?
C49 Ru2 Ru3 C51 . . . . -59.44(5) ?
C47 Ru2 Ru3 C51 . . . . 119.93(5) ?
P2 Ru2 Ru3 C51 . . . . -140.93(4) ?
Ru1 Ru2 Ru3 C51 . . . . -163.44(4) ?
C48 Ru2 Ru3 C52 . . . . 119.88(6) ?
C49 Ru2 Ru3 C52 . . . . 34.16(6) ?
C47 Ru2 Ru3 C52 . . . . -146.48(6) ?
P2 Ru2 Ru3 C52 . . . . -47.34(4) ?
Ru1 Ru2 Ru3 C52 . . . . -69.85(4) ?
C48 Ru2 Ru3 C50 . . . . -66.89(6) ?
C49 Ru2 Ru3 C50 . . . . -152.61(5) ?
C47 Ru2 Ru3 C50 . . . . 26.75(5) ?
P2 Ru2 Ru3 C50 . . . . 125.89(4) ?
Ru1 Ru2 Ru3 C50 . . . . 103.38(4) ?
C48 Ru2 Ru3 As1 . . . . -112.57(5) ?
C49 Ru2 Ru3 As1 . . . . 161.71(4) ?
C47 Ru2 Ru3 As1 . . . . -18.93(4) ?
P2 Ru2 Ru3 As1 . . . . 80.21(3) ?
Ru1 Ru2 Ru3 As1 . . . . 57.70(2) ?
C48 Ru2 Ru3 Ru1 . . . . -170.27(4) ?
C49 Ru2 Ru3 Ru1 . . . . 104.01(4) ?
C47 Ru2 Ru3 Ru1 . . . . -76.63(4) ?
P2 Ru2 Ru3 Ru1 . . . . 22.512(16) ?
C45 Ru1 Ru3 C51 . . . . -138.48(9) ?
C46 Ru1 Ru3 C51 . . . . 134.90(8) ?
C44 Ru1 Ru3 C51 . . . . -44.91(8) ?
P1 Ru1 Ru3 C51 . . . . 62.12(8) ?
Ru2 Ru1 Ru3 C51 . . . . 32.18(7) ?
C45 Ru1 Ru3 C52 . . . . -63.56(6) ?
C46 Ru1 Ru3 C52 . . . . -150.17(6) ?
C44 Ru1 Ru3 C52 . . . . 30.01(5) ?
P1 Ru1 Ru3 C52 . . . . 137.04(4) ?
Ru2 Ru1 Ru3 C52 . . . . 107.11(4) ?
C45 Ru1 Ru3 C50 . . . . 114.61(6) ?
C46 Ru1 Ru3 C50 . . . . 27.99(6) ?
C44 Ru1 Ru3 C50 . . . . -151.82(5) ?
P1 Ru1 Ru3 C50 . . . . -44.79(4) ?
Ru2 Ru1 Ru3 C50 . . . . -74.73(4) ?
C45 Ru1 Ru3 As1 . . . . 22.87(5) ?
C46 Ru1 Ru3 As1 . . . . -63.75(4) ?
C44 Ru1 Ru3 As1 . . . . 116.44(4) ?
P1 Ru1 Ru3 As1 . . . . -136.533(16) ?
Ru2 Ru1 Ru3 As1 . . . . -166.468(6) ?
C45 Ru1 Ru3 Ru2 . . . . -170.66(4) ?
C46 Ru1 Ru3 Ru2 . . . . 102.72(4) ?
C44 Ru1 Ru3 Ru2 . . . . -77.09(4) ?
P1 Ru1 Ru3 Ru2 . . . . 29.935(16) ?
C51 Ru3 As1 C38 . . . . -68.91(6) ?
C52 Ru3 As1 C38 . . . . -162.47(6) ?
C50 Ru3 As1 C38 . . . . 24.53(5) ?
Ru2 Ru3 As1 C38 . . . . 69.37(5) ?
Ru1 Ru3 As1 C38 . . . . 121.05(4) ?
C51 Ru3 As1 C32 . . . . 166.36(6) ?
C52 Ru3 As1 C32 . . . . 72.81(6) ?
C50 Ru3 As1 C32 . . . . -100.20(6) ?
Ru2 Ru3 As1 C32 . . . . -55.36(5) ?
Ru1 Ru3 As1 C32 . . . . -3.67(4) ?
C51 Ru3 As1 C26 . . . . 48.52(6) ?
C52 Ru3 As1 C26 . . . . -45.03(6) ?
C50 Ru3 As1 C26 . . . . 141.96(6) ?
Ru2 Ru3 As1 C26 . . . . -173.19(4) ?
Ru1 Ru3 As1 C26 . . . . -121.51(4) ?
C45 Ru1 P1 C7 . . . . -77.49(6) ?
C46 Ru1 P1 C7 . . . . 15.39(6) ?
C44 Ru1 P1 C7 . . . . -170.10(6) ?
Ru2 Ru1 P1 C7 . . . . 108.77(5) ?
Ru3 Ru1 P1 C7 . . . . 83.39(5) ?
C45 Ru1 P1 C1 . . . . 39.32(6) ?
C46 Ru1 P1 C1 . . . . 132.20(6) ?
C44 Ru1 P1 C1 . . . . -53.29(6) ?
Ru2 Ru1 P1 C1 . . . . -134.41(5) ?
Ru3 Ru1 P1 C1 . . . . -159.80(5) ?
C45 Ru1 P1 C13 . . . . 164.01(6) ?
C46 Ru1 P1 C13 . . . . -103.11(6) ?
C44 Ru1 P1 C13 . . . . 71.40(6) ?
Ru2 Ru1 P1 C13 . . . . -9.72(4) ?
Ru3 Ru1 P1 C13 . . . . -35.11(5) ?
C48 Ru2 P2 C20 . . . . -109.00(6) ?
C49 Ru2 P2 C20 . . . . -17.40(6) ?
C47 Ru2 P2 C20 . . . . 158.83(6) ?
Ru3 Ru2 P2 C20 . . . . 58.38(5) ?
Ru1 Ru2 P2 C20 . . . . 78.02(5) ?
C48 Ru2 P2 C14 . . . . 17.01(6) ?
C49 Ru2 P2 C14 . . . . 108.61(6) ?
C47 Ru2 P2 C14 . . . . -75.16(6) ?
Ru3 Ru2 P2 C14 . . . . -175.61(4) ?
Ru1 Ru2 P2 C14 . . . . -155.96(5) ?
C48 Ru2 P2 C13 . . . . 130.35(6) ?
C49 Ru2 P2 C13 . . . . -138.05(6) ?
C47 Ru2 P2 C13 . . . . 38.18(6) ?
Ru3 Ru2 P2 C13 . . . . -62.27(5) ?
Ru1 Ru2 P2 C13 . . . . -42.63(4) ?
C7 P1 C1 C2 . . . . 134.94(11) ?
C13 P1 C1 C2 . . . . -119.66(11) ?
Ru1 P1 C1 C2 . . . . 9.85(13) ?
C7 P1 C1 C6 . . . . -42.85(12) ?
C13 P1 C1 C6 . . . . 62.56(12) ?
Ru1 P1 C1 C6 . . . . -167.94(9) ?
C6 C1 C2 C3 . . . . 0.3(2) ?
P1 C1 C2 C3 . . . . -177.51(12) ?
C1 C2 C3 C4 . . . . 0.2(2) ?
C2 C3 C4 C5 . . . . -0.4(3) ?
C3 C4 C5 C6 . . . . 0.2(3) ?
C4 C5 C6 C1 . . . . 0.2(2) ?
C2 C1 C6 C5 . . . . -0.5(2) ?
P1 C1 C6 C5 . . . . 177.38(12) ?
C1 P1 C7 C12 . . . . 105.58(12) ?
C13 P1 C7 C12 . . . . -1.49(13) ?
Ru1 P1 C7 C12 . . . . -126.62(11) ?
C1 P1 C7 C8 . . . . -71.82(11) ?
C13 P1 C7 C8 . . . . -178.89(10) ?
Ru1 P1 C7 C8 . . . . 55.97(11) ?
C12 C7 C8 C9 . . . . 0.1(2) ?
P1 C7 C8 C9 . . . . 177.66(12) ?
C7 C8 C9 C10 . . . . 0.2(2) ?
C8 C9 C10 C11 . . . . 0.0(2) ?
C9 C10 C11 C12 . . . . -0.5(2) ?
C10 C11 C12 C7 . . . . 0.9(2) ?
C8 C7 C12 C11 . . . . -0.6(2) ?
P1 C7 C12 C11 . . . . -178.00(12) ?
C20 P2 C13 P1 . . . . -82.77(8) ?
C14 P2 C13 P1 . . . . 169.33(7) ?
Ru2 P2 C13 P1 . . . . 45.19(7) ?
C7 P1 C13 P2 . . . . -144.34(7) ?
C1 P1 C13 P2 . . . . 113.03(7) ?
Ru1 P1 C13 P2 . . . . -18.98(8) ?
C20 P2 C14 C19 . . . . -3.77(13) ?
C13 P2 C14 C19 . . . . 104.96(12) ?
Ru2 P2 C14 C19 . . . . -136.22(10) ?
C20 P2 C14 C15 . . . . 176.58(10) ?
C13 P2 C14 C15 . . . . -74.70(11) ?
Ru2 P2 C14 C15 . . . . 44.12(11) ?
C19 C14 C15 C16 . . . . -0.4(2) ?
P2 C14 C15 C16 . . . . 179.29(11) ?
C14 C15 C16 C17 . . . . 1.0(2) ?
C15 C16 C17 C18 . . . . -1.1(2) ?
C16 C17 C18 C19 . . . . 0.4(2) ?
C17 C18 C19 C14 . . . . 0.3(2) ?
C15 C14 C19 C18 . . . . -0.3(2) ?
P2 C14 C19 C18 . . . . -179.92(12) ?
C14 P2 C20 C25 . . . . 104.89(11) ?
C13 P2 C20 C25 . . . . 0.13(12) ?
Ru2 P2 C20 C25 . . . . -122.92(10) ?
C14 P2 C20 C21 . . . . -78.47(11) ?
C13 P2 C20 C21 . . . . 176.78(10) ?
Ru2 P2 C20 C21 . . . . 53.72(11) ?
C25 C20 C21 C22 . . . . 1.89(19) ?
P2 C20 C21 C22 . . . . -174.86(10) ?
C20 C21 C22 C23 . . . . -0.6(2) ?
C21 C22 C23 C24 . . . . -0.8(2) ?
C22 C23 C24 C25 . . . . 1.0(2) ?
C23 C24 C25 C20 . . . . 0.3(2) ?
C21 C20 C25 C24 . . . . -1.72(19) ?
P2 C20 C25 C24 . . . . 174.92(10) ?
C38 As1 C26 C27 . . . . 114.32(11) ?
C32 As1 C26 C27 . . . . -141.72(11) ?
Ru3 As1 C26 C27 . . . . -10.35(12) ?
C38 As1 C26 C31 . . . . -68.20(11) ?
C32 As1 C26 C31 . . . . 35.76(11) ?
Ru3 As1 C26 C31 . . . . 167.14(9) ?
C31 C26 C27 C28 . . . . 0.1(2) ?
As1 C26 C27 C28 . . . . 177.59(10) ?
C26 C27 C28 C29 . . . . 0.2(2) ?
C53 O10 C29 C28 . . . . 4.6(2) ?
C53 O10 C29 C30 . . . . -176.87(13) ?
C27 C28 C29 O10 . . . . 177.70(13) ?
C27 C28 C29 C30 . . . . -0.8(2) ?
O10 C29 C30 C31 . . . . -177.59(13) ?
C28 C29 C30 C31 . . . . 1.0(2) ?
C29 C30 C31 C26 . . . . -0.7(2) ?
C27 C26 C31 C30 . . . . 0.2(2) ?
As1 C26 C31 C30 . . . . -177.39(11) ?
C38 As1 C32 C37 . . . . 14.58(12) ?
C26 As1 C32 C37 . . . . -88.89(11) ?
Ru3 As1 C32 C37 . . . . 144.83(9) ?
C38 As1 C32 C33 . . . . -175.94(10) ?
C26 As1 C32 C33 . . . . 80.59(10) ?
Ru3 As1 C32 C33 . . . . -45.69(11) ?
C37 C32 C33 C34 . . . . 2.24(19) ?
As1 C32 C33 C34 . . . . -167.71(10) ?
C32 C33 C34 C35 . . . . -0.5(2) ?
C54 O11 C35 C36 . . . . 1.7(2) ?
C54 O11 C35 C34 . . . . -177.78(13) ?
C33 C34 C35 O11 . . . . 177.50(12) ?
C33 C34 C35 C36 . . . . -2.0(2) ?
O11 C35 C36 C37 . . . . -176.82(13) ?
C34 C35 C36 C37 . . . . 2.6(2) ?
C33 C32 C37 C36 . . . . -1.58(19) ?
As1 C32 C37 C36 . . . . 167.77(10) ?
C35 C36 C37 C32 . . . . -0.8(2) ?
C32 As1 C38 C43 . . . . -127.57(10) ?
C26 As1 C38 C43 . . . . -27.52(11) ?
Ru3 As1 C38 C43 . . . . 97.48(10) ?
C32 As1 C38 C39 . . . . 55.80(11) ?
C26 As1 C38 C39 . . . . 155.86(11) ?
Ru3 As1 C38 C39 . . . . -79.15(11) ?
C43 C38 C39 C40 . . . . 2.7(2) ?
As1 C38 C39 C40 . . . . 179.41(11) ?
C38 C39 C40 C41 . . . . -2.0(2) ?
C55 O12 C41 C40 . . . . -2.6(2) ?
C55 O12 C41 C42 . . . . 177.35(13) ?
C39 C40 C41 O12 . . . . 179.11(13) ?
C39 C40 C41 C42 . . . . -0.8(2) ?
O12 C41 C42 C43 . . . . -177.09(12) ?
C40 C41 C42 C43 . . . . 2.8(2) ?
C41 C42 C43 C38 . . . . -2.08(19) ?
C39 C38 C43 C42 . . . . -0.68(19) ?
As1 C38 C43 C42 . . . . -177.38(10) ?
C56 Cl1 C56 Cl1 2_765 . . 2_765 0.0 ?
