#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:00:33 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179772 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/68/7006895.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_7006895
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            'C33 H33 O11 P Ru4'
_chemical_formula_weight         1040.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.30740(10)
_cell_length_b                   17.7513(3)
_cell_length_c                   22.3268(3)
_cell_measurement_temperature    120(2)
_cell_volume                     3688.80(9)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41845
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.705
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.077
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.033(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         8385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0139P)²+0.5566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0436
_reflns_number_gt                7859
_reflns_number_total             8385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b515273a.txt
_cod_data_source_block           H4Ru4(CO)11(NMDPP)_(1)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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)2(1)2(1)
_cod_database_code               7006895
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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 0.17135(2) 0.388253(12) 0.764991(10) 0.01439(5) Uani 1 1 d . . .
Ru2 Ru 0.15310(2) 0.247931(12) 0.836980(10) 0.01629(5) Uani 1 1 d . . .
Ru3 Ru 0.20785(2) 0.381784(13) 0.897133(10) 0.01811(5) Uani 1 1 d . . .
Ru4 Ru 0.42993(2) 0.323942(12) 0.827475(11) 0.01694(5) Uani 1 1 d . . .
P1 P 0.20004(7) 0.35796(4) 0.66223(3) 0.01413(14) Uani 1 1 d . . .
O1 O -0.1483(2) 0.41580(13) 0.74800(10) 0.0313(5) Uani 1 1 d . . .
O2 O 0.2561(3) 0.55356(12) 0.76461(11) 0.0362(6) Uani 1 1 d . . .
O3 O 0.1142(3) 0.09686(12) 0.77245(11) 0.0388(6) Uani 1 1 d . . .
O4 O -0.1659(2) 0.26303(16) 0.86208(11) 0.0456(6) Uani 1 1 d . . .
O5 O 0.2246(3) 0.17828(12) 0.95789(10) 0.0328(5) Uani 1 1 d . . .
O6 O -0.0943(3) 0.40360(16) 0.94790(11) 0.0479(7) Uani 1 1 d . . .
O7 O 0.3458(2) 0.32832(11) 1.01335(9) 0.0278(5) Uani 1 1 d . . .
O8 O 0.2983(3) 0.54495(12) 0.91354(12) 0.0423(6) Uani 1 1 d . . .
O9 O 0.5601(2) 0.24224(14) 0.93430(10) 0.0348(5) Uani 1 1 d . . .
O11 O 0.5871(3) 0.47041(14) 0.85350(13) 0.0543(8) Uani 1 1 d . . .
O10 O 0.6479(2) 0.25805(14) 0.73862(10) 0.0396(6) Uani 1 1 d . . .
C1 C -0.0271(3) 0.40686(16) 0.75377(13) 0.0218(7) Uani 1 1 d . . .
C2 C 0.2263(3) 0.49122(17) 0.76175(14) 0.0228(6) Uani 1 1 d . . .
C3 C 0.1317(3) 0.15410(17) 0.79298(14) 0.0256(7) Uani 1 1 d . . .
C4 C -0.0455(3) 0.25786(18) 0.85432(14) 0.0281(7) Uani 1 1 d . . .
C5 C 0.1973(3) 0.20635(15) 0.91325(14) 0.0217(7) Uani 1 1 d . . .
C6 C 0.0196(3) 0.3938(2) 0.93028(14) 0.0305(8) Uani 1 1 d . . .
C7 C 0.2947(3) 0.34637(15) 0.96931(14) 0.0213(6) Uani 1 1 d . . .
C8 C 0.2695(3) 0.48272(18) 0.90836(14) 0.0265(7) Uani 1 1 d . . .
C9 C 0.5108(3) 0.27448(18) 0.89526(15) 0.0244(7) Uani 1 1 d . . .
C11 C 0.5262(3) 0.41544(19) 0.84376(15) 0.0303(8) Uani 1 1 d . . .
C10 C 0.5645(3) 0.28136(17) 0.77093(14) 0.0241(7) Uani 1 1 d . . .
C12 C 0.1370(3) 0.26181(15) 0.64801(12) 0.0157(6) Uani 1 1 d . . .
C13 C 0.2284(3) 0.20036(16) 0.64336(14) 0.0229(7) Uani 1 1 d . . .
H13 H 0.3291 0.2082 0.6463 0.028 Uiso 1 1 calc R . .
C14 C 0.1772(3) 0.12814(16) 0.63456(14) 0.0268(7) Uani 1 1 d . . .
H14 H 0.2422 0.0872 0.6306 0.032 Uiso 1 1 calc R . .
C15 C 0.0298(3) 0.11577(17) 0.63155(14) 0.0259(7) Uani 1 1 d . . .
H15 H -0.0065 0.0664 0.6251 0.031 Uiso 1 1 calc R . .
C16 C -0.0630(3) 0.17551(17) 0.63806(14) 0.0271(7) Uani 1 1 d . . .
H16 H -0.1637 0.1669 0.6372 0.032 Uiso 1 1 calc R . .
C17 C -0.0115(3) 0.24795(16) 0.64581(13) 0.0214(6) Uani 1 1 d . . .
H17 H -0.0771 0.2887 0.6497 0.026 Uiso 1 1 calc R . .
C18 C 0.0920(3) 0.41517(15) 0.61072(13) 0.0167(6) Uani 1 1 d . . .
C19 C 0.0529(3) 0.48821(16) 0.62631(13) 0.0222(7) Uani 1 1 d . . .
H19 H 0.0748 0.5066 0.6652 0.027 Uiso 1 1 calc R . .
C20 C -0.0179(3) 0.53478(17) 0.58585(14) 0.0259(7) Uani 1 1 d . . .
H20 H -0.0420 0.5849 0.5969 0.031 Uiso 1 1 calc R . .
C21 C -0.0532(3) 0.50841(17) 0.52981(13) 0.0242(7) Uani 1 1 d . . .
H21 H -0.1014 0.5402 0.5021 0.029 Uiso 1 1 calc R . .
C22 C -0.0180(3) 0.43506(17) 0.51409(13) 0.0207(6) Uani 1 1 d . . .
H22 H -0.0436 0.4164 0.4757 0.025 Uiso 1 1 calc R . .
C23 C 0.0539(3) 0.38910(16) 0.55394(12) 0.0175(6) Uani 1 1 d . . .
H23 H 0.0778 0.3391 0.5426 0.021 Uiso 1 1 calc R . .
C24 C 0.3853(3) 0.35639(16) 0.63029(13) 0.0180(6) Uani 1 1 d . . .
H24 H 0.4316 0.3124 0.6505 0.022 Uiso 1 1 calc R . .
C29 C 0.4852(3) 0.42311(16) 0.64606(13) 0.0202(6) Uani 1 1 d . . .
H29 H 0.4980 0.4201 0.6905 0.024 Uiso 1 1 calc R . .
C28 C 0.6358(3) 0.40646(19) 0.61989(14) 0.0293(8) Uani 1 1 d . . .
H28A H 0.6951 0.4525 0.6236 0.035 Uiso 1 1 calc R . .
H28B H 0.6816 0.3668 0.6446 0.035 Uiso 1 1 calc R . .
C27 C 0.6380(3) 0.3809(2) 0.55402(15) 0.0350(8) Uani 1 1 d . . .
H27A H 0.6094 0.4237 0.5282 0.042 Uiso 1 1 calc R . .
H27B H 0.7373 0.3665 0.5430 0.042 Uiso 1 1 calc R . .
C26 C 0.5391(3) 0.3152(2) 0.54214(14) 0.0286(7) Uani 1 1 d . . .
H26 H 0.5347 0.3079 0.4978 0.034 Uiso 1 1 calc R . .
C25 C 0.3866(3) 0.33457(17) 0.56362(13) 0.0209(6) Uani 1 1 d . . .
H25A H 0.3230 0.2905 0.5573 0.025 Uiso 1 1 calc R . .
H25B H 0.3484 0.3769 0.5396 0.025 Uiso 1 1 calc R . .
C30 C 0.4289(4) 0.50410(16) 0.63431(14) 0.0268(7) Uani 1 1 d . . .
H30 H 0.3315 0.5066 0.6532 0.032 Uiso 1 1 calc R . .
C31 C 0.5216(4) 0.56147(19) 0.6677(2) 0.0447(9) Uani 1 1 d . . .
H31A H 0.6129 0.5681 0.6465 0.067 Uiso 1 1 calc R . .
H31B H 0.5404 0.5433 0.7084 0.067 Uiso 1 1 calc R . .
H31C H 0.4710 0.6098 0.6697 0.067 Uiso 1 1 calc R . .
C32 C 0.4089(4) 0.5288(2) 0.56961(17) 0.0424(9) Uani 1 1 d . . .
H32A H 0.3684 0.5798 0.5687 0.064 Uiso 1 1 calc R . .
H32B H 0.3434 0.4940 0.5493 0.064 Uiso 1 1 calc R . .
H32C H 0.5021 0.5287 0.5492 0.064 Uiso 1 1 calc R . .
C33 C 0.5952(3) 0.2420(2) 0.56962(15) 0.0342(8) Uani 1 1 d . . .
H33A H 0.6866 0.2284 0.5507 0.051 Uiso 1 1 calc R . .
H33B H 0.5250 0.2017 0.5630 0.051 Uiso 1 1 calc R . .
H33C H 0.6098 0.2490 0.6127 0.051 Uiso 1 1 calc R . .
H112 H 0.134(3) 0.2983(16) 0.7750(13) 0.022(8) Uiso 1 1 d . . .
H113 H 0.112(3) 0.4181(18) 0.8333(18) 0.045(10) Uiso 1 1 d . . .
H114 H 0.350(3) 0.3664(17) 0.7651(14) 0.030(8) Uiso 1 1 d . . .
H124 H 0.318(4) 0.250(2) 0.8145(17) 0.060(12) 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'
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 C2 95.14(12) . . ?
C1 Ru1 P1 91.23(9) . . ?
C2 Ru1 P1 98.68(9) . . ?
C1 Ru1 Ru2 99.33(9) . . ?
C2 Ru1 Ru2 147.50(9) . . ?
P1 Ru1 Ru2 109.873(18) . . ?
C1 Ru1 Ru3 104.46(9) . . ?
C2 Ru1 Ru3 92.54(9) . . ?
P1 Ru1 Ru3 159.841(19) . . ?
Ru2 Ru1 Ru3 55.722(7) . . ?
C1 Ru1 Ru4 155.31(9) . . ?
C2 Ru1 Ru4 99.66(9) . . ?
P1 Ru1 Ru4 105.823(18) . . ?
Ru2 Ru1 Ru4 58.411(7) . . ?
Ru3 Ru1 Ru4 55.478(7) . . ?
C1 Ru1 H112 89.0(10) . . ?
C2 Ru1 H112 173.4(10) . . ?
P1 Ru1 H112 86.3(10) . . ?
Ru2 Ru1 H112 26.1(10) . . ?
Ru3 Ru1 H112 81.5(10) . . ?
Ru4 Ru1 H112 74.7(10) . . ?
C1 Ru1 H113 75.4(11) . . ?
C2 Ru1 H113 79.8(11) . . ?
P1 Ru1 H113 166.2(11) . . ?
Ru2 Ru1 H113 76.0(11) . . ?
Ru3 Ru1 H113 33.1(11) . . ?
Ru4 Ru1 H113 87.9(11) . . ?
H112 Ru1 H113 96.4(15) . . ?
C1 Ru1 H114 171.9(10) . . ?
C2 Ru1 H114 87.6(10) . . ?
P1 Ru1 H114 80.8(10) . . ?
Ru2 Ru1 H114 82.2(10) . . ?
Ru3 Ru1 H114 83.1(10) . . ?
Ru4 Ru1 H114 30.0(10) . . ?
H112 Ru1 H114 89.0(14) . . ?
H113 Ru1 H114 112.7(15) . . ?
C4 Ru2 C5 93.67(13) . . ?
C4 Ru2 C3 94.75(14) . . ?
C5 Ru2 C3 98.17(12) . . ?
C4 Ru2 Ru3 90.03(10) . . ?
C5 Ru2 Ru3 81.91(8) . . ?
C3 Ru2 Ru3 175.19(10) . . ?
C4 Ru2 Ru4 146.40(10) . . ?
C5 Ru2 Ru4 93.08(8) . . ?
C3 Ru2 Ru4 116.76(10) . . ?
Ru3 Ru2 Ru4 58.471(8) . . ?
C4 Ru2 Ru1 95.07(9) . . ?
C5 Ru2 Ru1 142.96(8) . . ?
C3 Ru2 Ru1 116.81(9) . . ?
Ru3 Ru2 Ru1 62.188(8) . . ?
Ru4 Ru2 Ru1 61.439(7) . . ?
C4 Ru2 H112 91.0(10) . . ?
C5 Ru2 H112 168.7(10) . . ?
C3 Ru2 H112 91.7(10) . . ?
Ru3 Ru2 H112 87.8(10) . . ?
Ru4 Ru2 H112 77.4(10) . . ?
Ru1 Ru2 H112 26.0(10) . . ?
C4 Ru2 H124 170.8(13) . . ?
C5 Ru2 H124 94.7(14) . . ?
C3 Ru2 H124 87.8(13) . . ?
Ru3 Ru2 H124 87.4(13) . . ?
Ru4 Ru2 H124 29.1(13) . . ?
Ru1 Ru2 H124 75.9(13) . . ?
H112 Ru2 H124 80.0(16) . . ?
C8 Ru3 C7 94.09(12) . . ?
C8 Ru3 C6 96.92(14) . . ?
C7 Ru3 C6 95.63(13) . . ?
C8 Ru3 Ru2 158.01(10) . . ?
C7 Ru3 Ru2 101.78(8) . . ?
C6 Ru3 Ru2 96.56(10) . . ?
C8 Ru3 Ru4 101.39(10) . . ?
C7 Ru3 Ru4 92.04(9) . . ?
C6 Ru3 Ru4 159.57(10) . . ?
Ru2 Ru3 Ru4 63.274(8) . . ?
C8 Ru3 Ru1 97.42(9) . . ?
C7 Ru3 Ru1 154.02(9) . . ?
C6 Ru3 Ru1 105.95(9) . . ?
Ru2 Ru3 Ru1 62.090(8) . . ?
Ru4 Ru3 Ru1 62.896(8) . . ?
C8 Ru3 H113 85.2(10) . . ?
C7 Ru3 H113 174.6(11) . . ?
C6 Ru3 H113 79.2(11) . . ?
Ru2 Ru3 H113 80.3(10) . . ?
Ru4 Ru3 H113 93.3(11) . . ?
Ru1 Ru3 H113 31.1(11) . . ?
C11 Ru4 C9 93.21(14) . . ?
C11 Ru4 C10 98.90(14) . . ?
C9 Ru4 C10 94.75(12) . . ?
C11 Ru4 Ru3 85.84(10) . . ?
C9 Ru4 Ru3 91.11(9) . . ?
C10 Ru4 Ru3 172.22(9) . . ?
C11 Ru4 Ru2 143.35(10) . . ?
C9 Ru4 Ru2 94.47(9) . . ?
C10 Ru4 Ru2 116.05(9) . . ?
Ru3 Ru4 Ru2 58.254(8) . . ?
C11 Ru4 Ru1 98.18(10) . . ?
C9 Ru4 Ru1 149.30(9) . . ?
C10 Ru4 Ru1 111.35(9) . . ?
Ru3 Ru4 Ru1 61.626(7) . . ?
Ru2 Ru4 Ru1 60.150(7) . . ?
C11 Ru4 H114 89.2(10) . . ?
C9 Ru4 H114 177.5(10) . . ?
C10 Ru4 H114 85.7(10) . . ?
Ru3 Ru4 H114 88.2(10) . . ?
Ru2 Ru4 H114 83.1(10) . . ?
Ru1 Ru4 H114 29.1(10) . . ?
C11 Ru4 H124 170.5(12) . . ?
C9 Ru4 H124 91.3(13) . . ?
C10 Ru4 H124 89.1(13) . . ?
Ru3 Ru4 H124 85.7(13) . . ?
Ru2 Ru4 H124 27.6(13) . . ?
Ru1 Ru4 H124 73.9(12) . . ?
H114 Ru4 H124 86.2(16) . . ?
C12 P1 C18 103.38(12) . . ?
C12 P1 C24 102.46(12) . . ?
C18 P1 C24 105.98(13) . . ?
C12 P1 Ru1 110.04(9) . . ?
C18 P1 Ru1 114.79(9) . . ?
C24 P1 Ru1 118.50(9) . . ?
O1 C1 Ru1 177.6(3) . . ?
O2 C2 Ru1 174.4(3) . . ?
O3 C3 Ru2 173.3(3) . . ?
O4 C4 Ru2 176.9(3) . . ?
O5 C5 Ru2 176.9(3) . . ?
O6 C6 Ru3 176.6(3) . . ?
O7 C7 Ru3 177.0(3) . . ?
O8 C8 Ru3 175.6(3) . . ?
O9 C9 Ru4 177.1(3) . . ?
O11 C11 Ru4 178.7(3) . . ?
O10 C10 Ru4 177.2(3) . . ?
C13 C12 C17 117.6(3) . . ?
C13 C12 P1 123.3(2) . . ?
C17 C12 P1 119.0(2) . . ?
C14 C13 C12 121.9(3) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 H13 119.0 . . ?
C13 C14 C15 119.6(3) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C16 C15 C14 119.5(3) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C17 120.8(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 120.5(3) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
C19 C18 C23 118.0(3) . . ?
C19 C18 P1 120.2(2) . . ?
C23 C18 P1 121.7(2) . . ?
C20 C19 C18 121.1(3) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 119.5(3) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C18 120.9(3) . . ?
C22 C23 H23 119.6 . . ?
C18 C23 H23 119.6 . . ?
C25 C24 C29 114.1(2) . . ?
C25 C24 P1 112.37(19) . . ?
C29 C24 P1 117.21(19) . . ?
C25 C24 H24 103.7 . . ?
C29 C24 H24 103.7 . . ?
P1 C24 H24 103.7 . . ?
C24 C29 C28 108.2(2) . . ?
C24 C29 C30 117.9(2) . . ?
C28 C29 C30 114.8(2) . . ?
C24 C29 H29 104.9 . . ?
C28 C29 H29 104.9 . . ?
C30 C29 H29 104.9 . . ?
C27 C28 C29 115.4(2) . . ?
C27 C28 H28A 108.4 . . ?
C29 C28 H28A 108.4 . . ?
C27 C28 H28B 108.4 . . ?
C29 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
C26 C27 C28 112.8(3) . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C27 C26 C33 112.2(3) . . ?
C27 C26 C25 109.6(3) . . ?
C33 C26 C25 112.3(3) . . ?
C27 C26 H26 107.5 . . ?
C33 C26 H26 107.5 . . ?
C25 C26 H26 107.5 . . ?
C26 C25 C24 111.4(2) . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 108.0 . . ?
C32 C30 C31 109.9(3) . . ?
C32 C30 C29 118.0(3) . . ?
C31 C30 C29 110.1(3) . . ?
C32 C30 H30 106.0 . . ?
C31 C30 H30 106.0 . . ?
C29 C30 H30 106.0 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C26 C33 H33A 109.5 . . ?
C26 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C26 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 1.893(3) . ?
Ru1 C2 1.899(3) . ?
Ru1 P1 2.3716(8) . ?
Ru1 Ru2 2.9693(3) . ?
Ru1 Ru3 2.9720(3) . ?
Ru1 Ru4 3.0069(3) . ?
Ru1 H112 1.65(3) . ?
Ru1 H113 1.71(4) . ?
Ru1 H114 1.70(3) . ?
Ru2 C4 1.897(3) . ?
Ru2 C5 1.901(3) . ?
Ru2 C3 1.944(3) . ?
Ru2 Ru3 2.7765(3) . ?
Ru2 Ru4 2.9162(3) . ?
Ru2 H112 1.66(3) . ?
Ru2 H124 1.62(4) . ?
Ru3 C8 1.898(3) . ?
Ru3 C7 1.909(3) . ?
Ru3 C6 1.914(3) . ?
Ru3 Ru4 2.7830(3) . ?
Ru3 H113 1.80(4) . ?
Ru4 C11 1.890(3) . ?
Ru4 C9 1.904(3) . ?
Ru4 C10 1.932(3) . ?
Ru4 H114 1.75(3) . ?
Ru4 H124 1.70(4) . ?
P1 C12 1.833(3) . ?
P1 C18 1.834(3) . ?
P1 C24 1.866(3) . ?
O1 C1 1.147(4) . ?
O3 C3 1.127(4) . ?
O4 C4 1.138(4) . ?
O5 C5 1.143(3) . ?
O6 C6 1.144(4) . ?
O7 C7 1.138(3) . ?
O8 C8 1.143(4) . ?
O9 C9 1.139(4) . ?
O11 C11 1.149(4) . ?
O10 C10 1.138(4) . ?
O2 C2 1.143(4) . ?
C12 C13 1.387(4) . ?
C12 C17 1.404(4) . ?
C13 C14 1.382(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.391(4) . ?
C18 C23 1.395(4) . ?
C19 C20 1.391(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.376(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.538(4) . ?
C24 C29 1.546(4) . ?
C24 H24 1.0000 . ?
C29 C28 1.547(4) . ?
C29 C30 1.553(4) . ?
C29 H29 1.0000 . ?
C28 C27 1.539(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C27 C26 1.509(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C26 C33 1.529(5) . ?
C26 C25 1.538(4) . ?
C26 H26 1.0000 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C30 C32 1.521(5) . ?
C30 C31 1.530(4) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
