#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:00:33 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179772 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/68/7006896.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_7006896
loop_
_publ_author_name
'Moberg, Viktor'
'Homanen, Pertti'
'Selva, Simona'
'Persson, Roger'
'Haukka, Matti'
'Pakkanen, Tapani A.'
'Monari, Magda'
'Nordlander, Ebbe'
_publ_section_title
;
 Synthesis, characterization and reactivity of tetranuclear ruthenium
 hydrido clusters containing chiral phosphine ligands.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              279
_journal_page_last               288
_journal_paper_doi               10.1039/b515273a
_journal_year                    2006
_chemical_formula_sum            'C55 H64 Cl2 O10 P2 Ru4'
_chemical_formula_weight         1422.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.51(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3092(19)
_cell_length_b                   19.380(4)
_cell_length_c                   15.867(3)
_cell_measurement_temperature    120(2)
_cell_volume                     2862.5(10)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 1999)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL v.5.1 (Bruker Axs, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al. 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Nonius Kappa CCD diffractometer'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12823
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.84
_exptl_absorpt_coefficient_mu    1.239
_exptl_absorpt_correction_T_max  0.8861
_exptl_absorpt_correction_T_min  0.7075
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.020(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         12823
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0169
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.6777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0399
_refine_ls_wR_factor_ref         0.0405
_reflns_number_gt                12554
_reflns_number_total             12823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b515273a.txt
_cod_data_source_block           H4Ru4(CO)10(NMDPP)2_(2)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7006896
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.876796(16) 0.567167(7) 0.778725(9) 0.00994(4) Uani 1 1 d . . .
Ru2 Ru 0.837605(16) 0.666390(8) 0.653231(9) 0.00991(4) Uani 1 1 d . . .
Ru3 Ru 1.131954(16) 0.646047(8) 0.723840(10) 0.01207(4) Uani 1 1 d . . .
Ru4 Ru 0.930682(17) 0.716182(8) 0.820828(9) 0.01174(4) Uani 1 1 d . . .
P1 P 0.88969(5) 0.51023(3) 0.91168(3) 0.01034(10) Uani 1 1 d . . .
P2 P 0.84637(5) 0.75134(3) 0.54536(3) 0.01123(10) Uani 1 1 d . . .
Cl1 Cl 1.32707(8) 0.99973(3) 0.79064(4) 0.03658(15) Uani 1 1 d . . .
Cl2 Cl 1.49434(7) 0.87257(4) 0.77472(4) 0.03629(15) Uani 1 1 d . . .
O1 O 0.55763(17) 0.53708(9) 0.76331(11) 0.0272(4) Uani 1 1 d . . .
O2 O 0.9484(2) 0.44866(9) 0.66270(10) 0.0298(4) Uani 1 1 d . . .
O3 O 0.52765(16) 0.69238(9) 0.69815(10) 0.0258(4) Uani 1 1 d . . .
O4 O 0.76922(19) 0.54478(8) 0.54107(10) 0.0260(4) Uani 1 1 d . . .
O5 O 1.26294(17) 0.77815(8) 0.65518(10) 0.0228(3) Uani 1 1 d . . .
O6 O 1.3030(2) 0.54770(11) 0.61148(12) 0.0420(5) Uani 1 1 d . . .
O7 O 1.35059(18) 0.64582(10) 0.86710(11) 0.0328(4) Uani 1 1 d . . .
O8 O 1.08594(19) 0.85321(8) 0.80014(10) 0.0259(4) Uani 1 1 d . . .
O9 O 1.10372(18) 0.69664(9) 0.98283(10) 0.0296(4) Uani 1 1 d . . .
O10 O 0.65085(19) 0.76642(9) 0.90123(11) 0.0320(4) Uani 1 1 d . . .
C1 C 0.6781(2) 0.55071(11) 0.77012(13) 0.0170(4) Uani 1 1 d . . .
C2 C 0.9180(2) 0.49298(11) 0.70704(13) 0.0187(5) Uani 1 1 d . . .
C3 C 0.6442(2) 0.68108(10) 0.67885(13) 0.0165(4) Uani 1 1 d . . .
C4 C 0.7977(2) 0.59085(11) 0.58343(13) 0.0161(4) Uani 1 1 d . . .
C5 C 1.2131(2) 0.72862(11) 0.68039(13) 0.0175(4) Uani 1 1 d . . .
C6 C 1.2391(2) 0.58303(12) 0.65281(15) 0.0226(5) Uani 1 1 d . . .
C7 C 1.2661(2) 0.64541(12) 0.81426(14) 0.0209(5) Uani 1 1 d . . .
C8 C 1.0275(2) 0.80189(12) 0.80528(13) 0.0184(4) Uani 1 1 d . . .
C9 C 1.0371(2) 0.70233(11) 0.92239(14) 0.0194(5) Uani 1 1 d . . .
C10 C 0.7552(2) 0.74953(11) 0.87130(14) 0.0197(5) Uani 1 1 d . . .
C11 C 0.7994(2) 0.56418(10) 0.99044(12) 0.0122(4) Uani 1 1 d . . .
C12 C 0.6515(2) 0.57543(11) 0.97975(13) 0.0158(4) Uani 1 1 d . . .
H12 H 0.6007 0.5519 0.9363 0.019 Uiso 1 1 calc R . .
C13 C 0.5785(2) 0.62066(11) 1.03208(14) 0.0188(4) Uani 1 1 d . . .
H13 H 0.4784 0.6279 1.0241 0.023 Uiso 1 1 calc R . .
C14 C 0.6505(2) 0.65509(11) 1.09546(13) 0.0203(5) Uani 1 1 d . . .
H14 H 0.6002 0.6862 1.1308 0.024 Uiso 1 1 calc R . .
C15 C 0.7968(2) 0.64438(11) 1.10770(13) 0.0187(4) Uani 1 1 d . . .
H15 H 0.8464 0.6678 1.1518 0.022 Uiso 1 1 calc R . .
C16 C 0.8705(2) 0.59923(11) 1.05512(13) 0.0147(4) Uani 1 1 d . . .
H16 H 0.9706 0.5923 1.0635 0.018 Uiso 1 1 calc R . .
C17 C 0.7887(2) 0.42911(10) 0.92170(13) 0.0138(4) Uani 1 1 d . . .
C18 C 0.7514(2) 0.38986(11) 0.85081(13) 0.0167(4) Uani 1 1 d . . .
H18 H 0.7770 0.4056 0.7963 0.020 Uiso 1 1 calc R . .
C19 C 0.6772(2) 0.32814(12) 0.85940(15) 0.0227(5) Uani 1 1 d . . .
H19 H 0.6530 0.3020 0.8107 0.027 Uiso 1 1 calc R . .
C20 C 0.6382(2) 0.30434(12) 0.93799(15) 0.0229(5) Uani 1 1 d . . .
H20 H 0.5884 0.2618 0.9435 0.028 Uiso 1 1 calc R . .
C21 C 0.6726(2) 0.34331(11) 1.00905(14) 0.0196(5) Uani 1 1 d . . .
H21 H 0.6460 0.3274 1.0634 0.023 Uiso 1 1 calc R . .
C22 C 0.7454(2) 0.40513(11) 1.00079(14) 0.0165(4) Uani 1 1 d . . .
H22 H 0.7665 0.4318 1.0496 0.020 Uiso 1 1 calc R . .
C23 C 1.0698(2) 0.49490(10) 0.96020(12) 0.0122(4) Uani 1 1 d . . .
H23 H 1.1052 0.5423 0.9740 0.015 Uiso 1 1 calc R . .
C24 C 1.0702(2) 0.45768(11) 1.04596(13) 0.0152(4) Uani 1 1 d . . .
H24A H 1.0443 0.4086 1.0374 0.018 Uiso 1 1 calc R . .
H24B H 0.9967 0.4787 1.0826 0.018 Uiso 1 1 calc R . .
C25 C 1.2180(2) 0.46196(12) 1.09007(13) 0.0187(4) Uani 1 1 d . . .
H25 H 1.2159 0.4294 1.1390 0.022 Uiso 1 1 calc R . .
C26 C 1.3369(2) 0.43737(13) 1.03149(14) 0.0212(5) Uani 1 1 d . . .
H26A H 1.3298 0.3867 1.0252 0.025 Uiso 1 1 calc R . .
H26B H 1.4312 0.4478 1.0579 0.025 Uiso 1 1 calc R . .
C27 C 1.3310(2) 0.47064(12) 0.94369(13) 0.0184(4) Uani 1 1 d . . .
H27A H 1.4034 0.4479 0.9077 0.022 Uiso 1 1 calc R . .
H27B H 1.3586 0.5198 0.9491 0.022 Uiso 1 1 calc R . .
C28 C 1.1835(2) 0.46655(11) 0.89881(13) 0.0144(4) Uani 1 1 d . . .
H28 H 1.1886 0.5019 0.8530 0.017 Uiso 1 1 calc R . .
C29 C 1.1483(2) 0.39841(12) 0.85251(13) 0.0190(5) Uani 1 1 d . . .
H29 H 1.0525 0.4056 0.8249 0.023 Uiso 1 1 calc R . .
C30 C 1.1348(4) 0.33213(13) 0.90366(18) 0.0399(7) Uani 1 1 d . . .
H30A H 1.1119 0.2936 0.8658 0.060 Uiso 1 1 calc R . .
H30B H 1.0581 0.3374 0.9451 0.060 Uiso 1 1 calc R . .
H30C H 1.2259 0.3228 0.9330 0.060 Uiso 1 1 calc R . .
C31 C 1.2542(3) 0.38704(17) 0.78103(18) 0.0411(7) Uani 1 1 d . . .
H31A H 1.3495 0.3769 0.8047 0.062 Uiso 1 1 calc R . .
H31B H 1.2593 0.4288 0.7463 0.062 Uiso 1 1 calc R . .
H31C H 1.2219 0.3482 0.7462 0.062 Uiso 1 1 calc R . .
C32 C 1.2479(3) 0.53445(13) 1.12568(15) 0.0246(5) Uani 1 1 d . . .
H32A H 1.3389 0.5341 1.1571 0.037 Uiso 1 1 calc R . .
H32B H 1.1699 0.5478 1.1634 0.037 Uiso 1 1 calc R . .
H32C H 1.2538 0.5676 1.0792 0.037 Uiso 1 1 calc R . .
C33 C 0.9098(2) 0.83604(10) 0.58280(13) 0.0142(4) Uani 1 1 d . . .
C34 C 1.0388(2) 0.86599(11) 0.55839(14) 0.0177(4) Uani 1 1 d . . .
H34 H 1.1002 0.8424 0.5205 0.021 Uiso 1 1 calc R . .
C35 C 1.0779(3) 0.93070(12) 0.58963(15) 0.0239(5) Uani 1 1 d . . .
H35 H 1.1656 0.9510 0.5723 0.029 Uiso 1 1 calc R . .
C36 C 0.9915(3) 0.96549(12) 0.64516(16) 0.0265(5) Uani 1 1 d . . .
H36 H 1.0192 1.0095 0.6660 0.032 Uiso 1 1 calc R . .
C37 C 0.8632(3) 0.93562(12) 0.67039(15) 0.0238(5) Uani 1 1 d . . .
H37 H 0.8024 0.9595 0.7084 0.029 Uiso 1 1 calc R . .
C38 C 0.8236(2) 0.87143(11) 0.64045(14) 0.0188(4) Uani 1 1 d . . .
H38 H 0.7369 0.8510 0.6592 0.023 Uiso 1 1 calc R . .
C39 C 0.9592(2) 0.73304(10) 0.45243(13) 0.0141(4) Uani 1 1 d . . .
C40 C 1.0180(2) 0.66756(12) 0.44204(13) 0.0170(4) Uani 1 1 d . . .
H40 H 1.0067 0.6338 0.4849 0.020 Uiso 1 1 calc R . .
C41 C 1.0934(2) 0.65119(12) 0.36933(14) 0.0230(5) Uani 1 1 d . . .
H41 H 1.1327 0.6063 0.3628 0.028 Uiso 1 1 calc R . .
C42 C 1.1114(2) 0.69981(13) 0.30662(14) 0.0249(5) Uani 1 1 d . . .
H42 H 1.1608 0.6880 0.2565 0.030 Uiso 1 1 calc R . .
C43 C 1.0573(2) 0.76541(13) 0.31704(14) 0.0222(5) Uani 1 1 d . . .
H43 H 1.0709 0.7992 0.2744 0.027 Uiso 1 1 calc R . .
C44 C 0.9829(2) 0.78236(12) 0.38979(13) 0.0174(4) Uani 1 1 d . . .
H44 H 0.9478 0.8280 0.3970 0.021 Uiso 1 1 calc R . .
C45 C 0.6664(2) 0.77794(10) 0.50258(12) 0.0135(4) Uani 1 1 d . . .
H45 H 0.6177 0.7982 0.5528 0.016 Uiso 1 1 calc R . .
C46 C 0.6714(2) 0.83877(11) 0.44010(13) 0.0162(4) Uani 1 1 d . . .
H46A H 0.7373 0.8746 0.4624 0.019 Uiso 1 1 calc R . .
H46B H 0.7101 0.8224 0.3858 0.019 Uiso 1 1 calc R . .
C47 C 0.5225(2) 0.87089(12) 0.42486(15) 0.0232(5) Uani 1 1 d . . .
H47 H 0.5319 0.9055 0.3785 0.028 Uiso 1 1 calc R . .
C48 C 0.4190(3) 0.81486(13) 0.39426(16) 0.0283(6) Uani 1 1 d . . .
H48A H 0.4480 0.7996 0.3374 0.034 Uiso 1 1 calc R . .
H48B H 0.3212 0.8346 0.3896 0.034 Uiso 1 1 calc R . .
C49 C 0.4152(2) 0.75188(13) 0.45339(15) 0.0234(5) Uani 1 1 d . . .
H49A H 0.3538 0.7160 0.4271 0.028 Uiso 1 1 calc R . .
H49B H 0.3692 0.7659 0.5067 0.028 Uiso 1 1 calc R . .
C50 C 0.5628(2) 0.71943(12) 0.47468(12) 0.0164(4) Uani 1 1 d . . .
H50 H 0.5460 0.6920 0.5270 0.020 Uiso 1 1 calc R . .
C51 C 0.6188(2) 0.66645(12) 0.41005(13) 0.0205(4) Uani 1 1 d . . .
H51 H 0.7148 0.6509 0.4315 0.025 Uiso 1 1 calc R . .
C52 C 0.6412(3) 0.68969(14) 0.31960(15) 0.0341(6) Uani 1 1 d . . .
H52A H 0.6795 0.6512 0.2866 0.051 Uiso 1 1 calc R . .
H52B H 0.7093 0.7282 0.3187 0.051 Uiso 1 1 calc R . .
H52C H 0.5492 0.7046 0.2952 0.051 Uiso 1 1 calc R . .
C53 C 0.5215(3) 0.60212(13) 0.40983(17) 0.0307(6) Uani 1 1 d . . .
H53A H 0.4291 0.6135 0.3832 0.046 Uiso 1 1 calc R . .
H53B H 0.5057 0.5870 0.4679 0.046 Uiso 1 1 calc R . .
H53C H 0.5680 0.5650 0.3782 0.046 Uiso 1 1 calc R . .
C54 C 0.4683(3) 0.90871(14) 0.50252(17) 0.0319(6) Uani 1 1 d . . .
H54A H 0.3813 0.9347 0.4878 0.048 Uiso 1 1 calc R . .
H54B H 0.5425 0.9406 0.5229 0.048 Uiso 1 1 calc R . .
H54C H 0.4463 0.8752 0.5468 0.048 Uiso 1 1 calc R . .
C55 C 1.3752(3) 0.93047(13) 0.72467(15) 0.0286(5) Uani 1 1 d . . .
H55A H 1.2873 0.9053 0.7072 0.034 Uiso 1 1 calc R . .
H55B H 1.4209 0.9489 0.6733 0.034 Uiso 1 1 calc R . .
H131 H 1.065(3) 0.5787(14) 0.7765(16) 0.027(7) Uiso 1 1 d . . .
H141 H 0.842(3) 0.6401(15) 0.8402(17) 0.037(8) Uiso 1 1 d . . .
H231 H 1.020(3) 0.6535(14) 0.6398(15) 0.023(6) Uiso 1 1 d . . .
H341 H 0.868(3) 0.7292(14) 0.7226(16) 0.031(7) Uiso 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 C1 91.86(10) . . ?
C2 Ru1 P1 99.96(7) . . ?
C1 Ru1 P1 91.58(7) . . ?
C2 Ru1 Ru2 96.99(7) . . ?
C1 Ru1 Ru2 86.72(7) . . ?
P1 Ru1 Ru2 163.008(14) . . ?
C2 Ru1 Ru3 92.77(7) . . ?
C1 Ru1 Ru3 148.97(6) . . ?
P1 Ru1 Ru3 117.71(3) . . ?
Ru2 Ru1 Ru3 62.262(19) . . ?
C2 Ru1 Ru4 146.82(7) . . ?
C1 Ru1 Ru4 109.95(7) . . ?
P1 Ru1 Ru4 103.957(18) . . ?
Ru2 Ru1 Ru4 61.107(15) . . ?
Ru3 Ru1 Ru4 55.718(11) . . ?
C3 Ru2 C4 93.52(9) . . ?
C3 Ru2 P2 95.19(7) . . ?
C4 Ru2 P2 97.10(7) . . ?
C3 Ru2 Ru1 94.00(6) . . ?
C4 Ru2 Ru1 84.67(6) . . ?
P2 Ru2 Ru1 170.517(14) . . ?
C3 Ru2 Ru4 91.71(7) . . ?
C4 Ru2 Ru4 147.59(6) . . ?
P2 Ru2 Ru4 114.246(19) . . ?
Ru1 Ru2 Ru4 63.052(15) . . ?
C3 Ru2 Ru3 145.34(6) . . ?
C4 Ru2 Ru3 107.24(7) . . ?
P2 Ru2 Ru3 108.99(2) . . ?
Ru1 Ru2 Ru3 61.709(18) . . ?
Ru4 Ru2 Ru3 56.11(2) . . ?
C7 Ru3 C5 91.07(9) . . ?
C7 Ru3 C6 95.56(10) . . ?
C5 Ru3 C6 96.38(9) . . ?
C7 Ru3 Ru4 91.55(7) . . ?
C5 Ru3 Ru4 93.49(7) . . ?
C6 Ru3 Ru4 167.71(7) . . ?
C7 Ru3 Ru1 107.40(7) . . ?
C5 Ru3 Ru1 149.66(6) . . ?
C6 Ru3 Ru1 105.25(7) . . ?
Ru4 Ru3 Ru1 62.926(18) . . ?
C7 Ru3 Ru2 152.19(7) . . ?
C5 Ru3 Ru2 96.86(6) . . ?
C6 Ru3 Ru2 109.89(7) . . ?
Ru4 Ru3 Ru2 61.479(15) . . ?
Ru1 Ru3 Ru2 56.029(12) . . ?
C9 Ru4 C8 89.38(9) . . ?
C9 Ru4 C10 97.56(10) . . ?
C8 Ru4 C10 99.47(9) . . ?
C9 Ru4 Ru3 92.94(7) . . ?
C8 Ru4 Ru3 91.85(7) . . ?
C10 Ru4 Ru3 164.60(7) . . ?
C9 Ru4 Ru2 149.68(7) . . ?
C8 Ru4 Ru2 107.67(6) . . ?
C10 Ru4 Ru2 103.86(7) . . ?
Ru3 Ru4 Ru2 62.408(18) . . ?
C9 Ru4 Ru1 97.89(6) . . ?
C8 Ru4 Ru1 152.42(6) . . ?
C10 Ru4 Ru1 105.83(7) . . ?
Ru3 Ru4 Ru1 61.356(10) . . ?
Ru2 Ru4 Ru1 55.841(5) . . ?
C11 P1 C17 100.95(9) . . ?
C11 P1 C23 103.01(9) . . ?
C17 P1 C23 106.68(9) . . ?
C11 P1 Ru1 108.58(7) . . ?
C17 P1 Ru1 116.78(7) . . ?
C23 P1 Ru1 118.55(7) . . ?
C33 P2 C39 104.18(9) . . ?
C33 P2 C45 98.91(9) . . ?
C39 P2 C45 106.00(9) . . ?
C33 P2 Ru2 113.46(7) . . ?
C39 P2 Ru2 117.65(7) . . ?
C45 P2 Ru2 114.51(7) . . ?
O1 C1 Ru1 176.3(2) . . ?
O2 C2 Ru1 177.4(2) . . ?
O3 C3 Ru2 176.29(19) . . ?
O4 C4 Ru2 178.07(19) . . ?
O5 C5 Ru3 179.1(2) . . ?
O6 C6 Ru3 178.5(2) . . ?
O7 C7 Ru3 177.7(2) . . ?
O8 C8 Ru4 176.68(19) . . ?
O9 C9 Ru4 177.11(19) . . ?
O10 C10 Ru4 177.3(2) . . ?
C16 C11 C12 118.21(18) . . ?
C16 C11 P1 124.11(15) . . ?
C12 C11 P1 117.42(15) . . ?
C13 C12 C11 120.7(2) . . ?
C14 C13 C12 120.4(2) . . ?
C13 C14 C15 120.0(2) . . ?
C14 C15 C16 119.8(2) . . ?
C11 C16 C15 120.9(2) . . ?
C18 C17 C22 117.96(19) . . ?
C18 C17 P1 121.24(16) . . ?
C22 C17 P1 120.80(16) . . ?
C19 C18 C17 120.6(2) . . ?
C20 C19 C18 120.7(2) . . ?
C19 C20 C21 119.3(2) . . ?
C22 C21 C20 120.2(2) . . ?
C21 C22 C17 121.1(2) . . ?
C24 C23 C28 113.19(16) . . ?
C24 C23 P1 115.80(14) . . ?
C28 C23 P1 114.53(14) . . ?
C23 C24 C25 111.82(17) . . ?
C26 C25 C32 112.24(19) . . ?
C26 C25 C24 110.84(18) . . ?
C32 C25 C24 111.95(18) . . ?
C25 C26 C27 113.63(18) . . ?
C26 C27 C28 114.92(18) . . ?
C27 C28 C29 116.58(17) . . ?
C27 C28 C23 107.61(17) . . ?
C29 C28 C23 117.39(17) . . ?
C30 C29 C31 109.3(2) . . ?
C30 C29 C28 119.01(18) . . ?
C31 C29 C28 109.9(2) . . ?
C34 C33 C38 118.6(2) . . ?
C34 C33 P2 123.85(16) . . ?
C38 C33 P2 117.57(16) . . ?
C33 C34 C35 119.9(2) . . ?
C36 C35 C34 121.1(2) . . ?
C35 C36 C37 119.3(2) . . ?
C38 C37 C36 120.2(2) . . ?
C37 C38 C33 120.9(2) . . ?
C40 C39 C44 118.29(19) . . ?
C40 C39 P2 119.68(15) . . ?
C44 C39 P2 121.97(16) . . ?
C41 C40 C39 120.5(2) . . ?
C42 C41 C40 120.4(2) . . ?
C43 C42 C41 119.7(2) . . ?
C42 C43 C44 120.2(2) . . ?
C43 C44 C39 120.8(2) . . ?
C46 C45 C50 113.45(17) . . ?
C46 C45 P2 114.28(14) . . ?
C50 C45 P2 117.01(14) . . ?
C47 C46 C45 112.25(18) . . ?
C54 C47 C48 112.8(2) . . ?
C54 C47 C46 111.85(19) . . ?
C48 C47 C46 109.12(19) . . ?
C47 C48 C49 112.79(19) . . ?
C48 C49 C50 115.51(19) . . ?
C49 C50 C51 115.48(18) . . ?
C49 C50 C45 108.32(18) . . ?
C51 C50 C45 117.54(17) . . ?
C52 C51 C53 108.84(19) . . ?
C52 C51 C50 118.7(2) . . ?
C53 C51 C50 109.71(18) . . ?
Cl2 C55 Cl1 112.31(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 1.875(2) . ?
Ru1 C1 1.881(2) . ?
Ru1 P1 2.3828(7) . ?
Ru1 Ru2 2.7898(5) . ?
Ru1 Ru3 2.9621(6) . ?
Ru1 Ru4 3.0053(6) . ?
Ru2 C3 1.871(2) . ?
Ru2 C4 1.871(2) . ?
Ru2 P2 2.3768(6) . ?
Ru2 Ru4 2.9517(7) . ?
Ru2 Ru3 2.9774(8) . ?
Ru3 C7 1.894(2) . ?
Ru3 C5 1.902(2) . ?
Ru3 C6 1.943(2) . ?
Ru3 Ru4 2.7888(7) . ?
Ru4 C9 1.903(2) . ?
Ru4 C8 1.907(2) . ?
Ru4 C10 1.937(2) . ?
P1 C11 1.839(2) . ?
P1 C17 1.840(2) . ?
P1 C23 1.862(2) . ?
P2 C33 1.841(2) . ?
P2 C39 1.852(2) . ?
P2 C45 1.875(2) . ?
Cl1 C55 1.763(3) . ?
Cl2 C55 1.762(3) . ?
O1 C1 1.156(3) . ?
O2 C2 1.147(3) . ?
O3 C3 1.151(3) . ?
O4 C4 1.147(3) . ?
O5 C5 1.140(3) . ?
O6 C6 1.122(3) . ?
O7 C7 1.144(3) . ?
O8 C8 1.137(3) . ?
O9 C9 1.143(3) . ?
O10 C10 1.133(3) . ?
C11 C16 1.393(3) . ?
C11 C12 1.403(3) . ?
C12 C13 1.389(3) . ?
C13 C14 1.376(3) . ?
C14 C15 1.390(3) . ?
C15 C16 1.394(3) . ?
C17 C18 1.399(3) . ?
C17 C22 1.401(3) . ?
C18 C19 1.388(3) . ?
C19 C20 1.381(3) . ?
C20 C21 1.392(3) . ?
C21 C22 1.383(3) . ?
C23 C24 1.540(3) . ?
C23 C28 1.546(3) . ?
C24 C25 1.540(3) . ?
C25 C26 1.528(3) . ?
C25 C32 1.539(3) . ?
C26 C27 1.536(3) . ?
C27 C28 1.544(3) . ?
C28 C29 1.545(3) . ?
C29 C30 1.525(4) . ?
C29 C31 1.525(3) . ?
C33 C34 1.392(3) . ?
C33 C38 1.401(3) . ?
C34 C35 1.396(3) . ?
C35 C36 1.375(4) . ?
C36 C37 1.389(4) . ?
C37 C38 1.380(3) . ?
C39 C40 1.393(3) . ?
C39 C44 1.398(3) . ?
C40 C41 1.392(3) . ?
C41 C42 1.382(3) . ?
C42 C43 1.378(3) . ?
C43 C44 1.391(3) . ?
C45 C46 1.541(3) . ?
C45 C50 1.551(3) . ?
C46 C47 1.537(3) . ?
C47 C54 1.523(4) . ?
C47 C48 1.528(3) . ?
C48 C49 1.540(3) . ?
C49 C50 1.545(3) . ?
C50 C51 1.545(3) . ?
C51 C52 1.520(3) . ?
C51 C53 1.541(3) . ?
