#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:35:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179191 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/33/4313373.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_4313373
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Wei Fu'
'Perry J. Pellechia'
'Mark D. Smith'
_publ_section_title
;
 Remarkable Dynamical Opening and Closing of Platinum and Palladium
 Pentaruthenium Carbido Carbonyl Cluster Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2094
_journal_page_last               2101
_journal_paper_doi               10.1021/ic020656o
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C28 H27 O15 P Pd Ru5'
_chemical_formula_weight         1246.22
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 110.3520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2248(8)
_cell_length_b                   17.8173(11)
_cell_length_c                   16.8949(11)
_cell_measurement_temperature    190(2)
_cell_volume                     3732.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33938
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.550
_exptl_crystal_density_diffrn    2.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2384
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         9280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0244P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0533
_reflns_number_gt                7863
_reflns_number_total             9280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020656o_4.cif
_cod_data_source_block           bc3241s
_cod_database_code               4313373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Pd1 Pd 0.539716(18) 0.191048(11) 0.350507(14) 0.02203(5) Uani 1 1 d . . .
Ru1 Ru 0.624179(19) 0.045470(11) 0.380494(15) 0.02138(5) Uani 1 1 d . . .
Ru2 Ru 0.797110(18) 0.153204(11) 0.410264(15) 0.02026(5) Uani 1 1 d . . .
Ru3 Ru 0.695113(18) 0.209952(11) 0.244656(15) 0.02024(5) Uani 1 1 d . . .
Ru4 Ru 0.538049(19) 0.088309(12) 0.204831(15) 0.02414(6) Uani 1 1 d . . .
Ru5 Ru 0.756682(19) 0.056485(11) 0.274438(15) 0.02321(6) Uani 1 1 d . . .
P1 P 0.42373(6) 0.28814(4) 0.37661(5) 0.02472(16) Uani 1 1 d . . .
O11 O 0.4768(2) 0.09618(14) 0.47013(19) 0.0580(8) Uani 1 1 d . . .
O12 O 0.7389(2) -0.01518(15) 0.55733(17) 0.0595(8) Uani 1 1 d . . .
O13 O 0.4746(3) -0.08993(15) 0.34108(18) 0.0710(9) Uani 1 1 d . . .
O21 O 0.79875(19) 0.27334(12) 0.53845(15) 0.0407(6) Uani 1 1 d . . .
O22 O 0.9472(2) 0.05150(13) 0.54467(16) 0.0455(6) Uani 1 1 d . . .
O23 O 0.9930(2) 0.23125(16) 0.39498(18) 0.0558(7) Uani 1 1 d . . .
O31 O 0.75666(19) 0.35816(11) 0.33735(15) 0.0394(6) Uani 1 1 d . . .
O32 O 0.5459(2) 0.28402(13) 0.08514(16) 0.0537(7) Uani 1 1 d . . .
O33 O 0.8872(2) 0.21331(16) 0.18516(18) 0.0575(7) Uani 1 1 d . . .
O41 O 0.30058(19) 0.10832(14) 0.17925(17) 0.0510(7) Uani 1 1 d . . .
O42 O 0.4932(2) 0.11710(15) 0.01789(16) 0.0595(8) Uani 1 1 d . . .
O43 O 0.5017(2) -0.07734(13) 0.16379(17) 0.0522(7) Uani 1 1 d . . .
O51 O 0.9997(2) 0.06380(14) 0.31544(19) 0.0533(7) Uani 1 1 d . . .
O52 O 0.7272(2) 0.01446(13) 0.09262(16) 0.0520(7) Uani 1 1 d . . .
O53 O 0.7743(2) -0.10073(11) 0.34766(16) 0.0488(7) Uani 1 1 d . . .
C1 C 0.6530(2) 0.13091(13) 0.31379(17) 0.0190(5) Uani 1 1 d . . .
C11 C 0.5238(3) 0.10240(16) 0.4242(2) 0.0319(7) Uani 1 1 d . . .
C12 C 0.6979(3) 0.00718(17) 0.4908(2) 0.0345(7) Uani 1 1 d . . .
C13 C 0.5314(3) -0.03984(18) 0.3559(2) 0.0398(8) Uani 1 1 d . . .
C21 C 0.7895(2) 0.22821(16) 0.48901(19) 0.0262(6) Uani 1 1 d . . .
C22 C 0.8880(3) 0.08813(16) 0.4952(2) 0.0305(7) Uani 1 1 d . . .
C23 C 0.9186(3) 0.20260(18) 0.3998(2) 0.0326(7) Uani 1 1 d . . .
C31 C 0.7295(2) 0.30296(15) 0.30232(19) 0.0266(6) Uani 1 1 d . . .
C32 C 0.6008(3) 0.25382(16) 0.1437(2) 0.0339(7) Uani 1 1 d . . .
C33 C 0.8150(3) 0.20922(18) 0.2066(2) 0.0362(8) Uani 1 1 d . . .
C41 C 0.3909(3) 0.10636(17) 0.1926(2) 0.0348(7) Uani 1 1 d . . .
C42 C 0.5112(3) 0.10856(17) 0.0883(2) 0.0378(8) Uani 1 1 d . . .
C43 C 0.5144(3) -0.01557(18) 0.1809(2) 0.0355(7) Uani 1 1 d . . .
C51 C 0.9091(3) 0.06201(17) 0.3028(2) 0.0362(8) Uani 1 1 d . . .
C52 C 0.7345(3) 0.02861(16) 0.1598(2) 0.0359(8) Uani 1 1 d . . .
C53 C 0.7599(3) -0.04005(16) 0.3242(2) 0.0334(7) Uani 1 1 d . . .
C61 C 0.2910(3) 0.25412(18) 0.3866(2) 0.0361(8) Uani 1 1 d . . .
C62 C 0.2045(3) 0.3161(2) 0.3713(3) 0.0555(11) Uani 1 1 d . . .
H62A H 0.1830 0.3335 0.3127 0.083 Uiso 1 1 calc R . .
H62B H 0.2343 0.3582 0.4096 0.083 Uiso 1 1 calc R . .
H62C H 0.1415 0.2958 0.3818 0.083 Uiso 1 1 calc R . .
C63 C 0.3076(3) 0.22151(19) 0.4750(3) 0.0467(10) Uani 1 1 d . . .
H63A H 0.3276 0.2620 0.5169 0.070 Uiso 1 1 calc R . .
H63B H 0.3653 0.1839 0.4893 0.070 Uiso 1 1 calc R . .
H63C H 0.2406 0.1980 0.4748 0.070 Uiso 1 1 calc R . .
C64 C 0.2458(3) 0.18983(19) 0.3237(3) 0.0490(10) Uani 1 1 d . . .
H64A H 0.1788 0.1713 0.3291 0.074 Uiso 1 1 calc R . .
H64B H 0.2986 0.1490 0.3358 0.074 Uiso 1 1 calc R . .
H64C H 0.2313 0.2081 0.2661 0.074 Uiso 1 1 calc R . .
C65 C 0.5017(3) 0.33988(16) 0.4785(2) 0.0317(7) Uani 1 1 d . . .
C66 C 0.5927(3) 0.38472(17) 0.4644(2) 0.0390(8) Uani 1 1 d . . .
H66A H 0.6426 0.4026 0.5189 0.058 Uiso 1 1 calc R . .
H66B H 0.5622 0.4278 0.4278 0.058 Uiso 1 1 calc R . .
H66C H 0.6316 0.3525 0.4376 0.058 Uiso 1 1 calc R . .
C67 C 0.4361(3) 0.39432(18) 0.5128(2) 0.0433(9) Uani 1 1 d . . .
H67A H 0.4845 0.4195 0.5634 0.065 Uiso 1 1 calc R . .
H67B H 0.3813 0.3662 0.5273 0.065 Uiso 1 1 calc R . .
H67C H 0.4008 0.4319 0.4697 0.065 Uiso 1 1 calc R . .
C68 C 0.5555(3) 0.28121(18) 0.5476(2) 0.0367(8) Uani 1 1 d . . .
H68A H 0.5965 0.2455 0.5265 0.055 Uiso 1 1 calc R . .
H68B H 0.4998 0.2543 0.5622 0.055 Uiso 1 1 calc R . .
H68C H 0.6042 0.3066 0.5978 0.055 Uiso 1 1 calc R . .
C69 C 0.3856(3) 0.35920(16) 0.2850(2) 0.0324(7) Uani 1 1 d . . .
C70 C 0.4840(3) 0.37384(18) 0.2594(2) 0.0434(9) Uani 1 1 d . . .
H70A H 0.5137 0.3259 0.2493 0.065 Uiso 1 1 calc R . .
H70B H 0.5388 0.4009 0.3048 0.065 Uiso 1 1 calc R . .
H70C H 0.4624 0.4041 0.2078 0.065 Uiso 1 1 calc R . .
C71 C 0.3434(3) 0.43632(17) 0.3011(2) 0.0413(9) Uani 1 1 d . . .
H71A H 0.3218 0.4660 0.2490 0.062 Uiso 1 1 calc R . .
H71B H 0.4005 0.4628 0.3454 0.062 Uiso 1 1 calc R . .
H71C H 0.2811 0.4292 0.3190 0.062 Uiso 1 1 calc R . .
C72 C 0.3016(3) 0.3234(2) 0.2071(2) 0.0503(10) Uani 1 1 d . . .
H72A H 0.2922 0.3550 0.1575 0.075 Uiso 1 1 calc R . .
H72B H 0.2326 0.3190 0.2162 0.075 Uiso 1 1 calc R . .
H72C H 0.3263 0.2735 0.1977 0.075 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'
Pd Pd -0.9988 1.0072 '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
C11 Pd1 C1 91.17(11) . . ?
C11 Pd1 P1 103.29(9) . . ?
C1 Pd1 P1 165.22(7) . . ?
C11 Pd1 Ru1 45.63(9) . . ?
C1 Pd1 Ru1 45.66(7) . . ?
P1 Pd1 Ru1 148.91(2) . . ?
C11 Pd1 Ru4 93.06(9) . . ?
C1 Pd1 Ru4 42.69(7) . . ?
P1 Pd1 Ru4 137.44(2) . . ?
Ru1 Pd1 Ru4 58.826(8) . . ?
C11 Pd1 Ru3 129.90(9) . . ?
C1 Pd1 Ru3 38.86(7) . . ?
P1 Pd1 Ru3 126.46(2) . . ?
Ru1 Pd1 Ru3 84.525(8) . . ?
Ru4 Pd1 Ru3 55.665(7) . . ?
C11 Pd1 Ru2 88.25(9) . . ?
C1 Pd1 Ru2 38.13(7) . . ?
P1 Pd1 Ru2 137.73(2) . . ?
Ru1 Pd1 Ru2 56.328(7) . . ?
Ru4 Pd1 Ru2 80.816(8) . . ?
Ru3 Pd1 Ru2 52.211(7) . . ?
C12 Ru1 C13 89.94(14) . . ?
C12 Ru1 C11 90.01(14) . . ?
C13 Ru1 C11 91.44(14) . . ?
C12 Ru1 C1 133.51(12) . . ?
C13 Ru1 C1 135.72(13) . . ?
C11 Ru1 C1 95.88(11) . . ?
C12 Ru1 Pd1 123.05(10) . . ?
C13 Ru1 Pd1 120.88(11) . . ?
C11 Ru1 Pd1 47.48(8) . . ?
C1 Ru1 Pd1 48.53(7) . . ?
C12 Ru1 Ru4 170.22(10) . . ?
C13 Ru1 Ru4 89.61(10) . . ?
C11 Ru1 Ru4 99.77(9) . . ?
C1 Ru1 Ru4 46.11(8) . . ?
Pd1 Ru1 Ru4 65.112(8) . . ?
C12 Ru1 Ru2 87.87(9) . . ?
C13 Ru1 Ru2 167.70(11) . . ?
C11 Ru1 Ru2 100.66(9) . . ?
C1 Ru1 Ru2 45.69(8) . . ?
Pd1 Ru1 Ru2 70.016(9) . . ?
Ru4 Ru1 Ru2 90.499(9) . . ?
C12 Ru1 Ru5 114.39(10) . . ?
C13 Ru1 Ru5 113.50(11) . . ?
C11 Ru1 Ru5 143.97(8) . . ?
C1 Ru1 Ru5 48.09(7) . . ?
Pd1 Ru1 Ru5 96.525(9) . . ?
Ru4 Ru1 Ru5 57.124(9) . . ?
Ru2 Ru1 Ru5 56.940(8) . . ?
C23 Ru2 C22 91.12(13) . . ?
C23 Ru2 C21 89.51(13) . . ?
C22 Ru2 C21 94.18(13) . . ?
C23 Ru2 C1 126.48(12) . . ?
C22 Ru2 C1 129.90(11) . . ?
C21 Ru2 C1 115.17(11) . . ?
C23 Ru2 Ru5 97.90(10) . . ?
C22 Ru2 Ru5 97.74(9) . . ?
C21 Ru2 Ru5 165.81(9) . . ?
C1 Ru2 Ru5 50.84(7) . . ?
C23 Ru2 Ru3 82.55(10) . . ?
C22 Ru2 Ru3 156.44(9) . . ?
C21 Ru2 Ru3 108.36(9) . . ?
C1 Ru2 Ru3 45.57(7) . . ?
Ru5 Ru2 Ru3 61.044(9) . . ?
C23 Ru2 Ru1 159.63(10) . . ?
C22 Ru2 Ru1 88.89(9) . . ?
C21 Ru2 Ru1 110.80(9) . . ?
C1 Ru2 Ru1 43.96(7) . . ?
Ru5 Ru2 Ru1 61.956(8) . . ?
Ru3 Ru2 Ru1 89.372(9) . . ?
C23 Ru2 Pd1 134.61(10) . . ?
C22 Ru2 Pd1 132.31(10) . . ?
C21 Ru2 Pd1 76.69(9) . . ?
C1 Ru2 Pd1 38.86(7) . . ?
Ru5 Ru2 Pd1 89.555(9) . . ?
Ru3 Ru2 Pd1 62.263(7) . . ?
Ru1 Ru2 Pd1 53.657(8) . . ?
C31 Ru3 C32 93.85(13) . . ?
C31 Ru3 C33 95.75(13) . . ?
C32 Ru3 C33 93.65(14) . . ?
C31 Ru3 C1 112.09(11) . . ?
C32 Ru3 C1 125.32(12) . . ?
C33 Ru3 C1 128.06(12) . . ?
C31 Ru3 Ru2 81.83(9) . . ?
C32 Ru3 Ru2 166.55(11) . . ?
C33 Ru3 Ru2 99.44(10) . . ?
C1 Ru3 Ru2 46.82(8) . . ?
C31 Ru3 Ru5 138.23(9) . . ?
C32 Ru3 Ru5 127.80(9) . . ?
C33 Ru3 Ru5 80.37(10) . . ?
C1 Ru3 Ru5 49.46(7) . . ?
Ru2 Ru3 Ru5 58.312(8) . . ?
C31 Ru3 Ru4 142.47(9) . . ?
C32 Ru3 Ru4 84.60(9) . . ?
C33 Ru3 Ru4 121.77(10) . . ?
C1 Ru3 Ru4 45.56(8) . . ?
Ru2 Ru3 Ru4 91.082(9) . . ?
Ru5 Ru3 Ru4 57.565(9) . . ?
C31 Ru3 Pd1 83.68(9) . . ?
C32 Ru3 Pd1 101.43(10) . . ?
C33 Ru3 Pd1 164.92(10) . . ?
C1 Ru3 Pd1 40.62(7) . . ?
Ru2 Ru3 Pd1 65.525(9) . . ?
Ru5 Ru3 Pd1 89.996(8) . . ?
Ru4 Ru3 Pd1 60.159(8) . . ?
C43 Ru4 C42 90.38(14) . . ?
C43 Ru4 C41 93.16(14) . . ?
C42 Ru4 C41 92.26(15) . . ?
C43 Ru4 C1 124.06(12) . . ?
C42 Ru4 C1 131.30(12) . . ?
C41 Ru4 C1 115.94(12) . . ?
C43 Ru4 Ru5 87.77(10) . . ?
C42 Ru4 Ru5 105.57(11) . . ?
C41 Ru4 Ru5 162.14(10) . . ?
C1 Ru4 Ru5 50.69(7) . . ?
C43 Ru4 Ru1 86.45(10) . . ?
C42 Ru4 Ru1 167.22(11) . . ?
C41 Ru4 Ru1 100.27(10) . . ?
C1 Ru4 Ru1 44.06(7) . . ?
Ru5 Ru4 Ru1 61.961(8) . . ?
C43 Ru4 Ru3 145.71(10) . . ?
C42 Ru4 Ru3 87.69(9) . . ?
C41 Ru4 Ru3 121.13(9) . . ?
C1 Ru4 Ru3 44.08(7) . . ?
Ru5 Ru4 Ru3 60.009(8) . . ?
Ru1 Ru4 Ru3 87.970(9) . . ?
C43 Ru4 Pd1 135.19(10) . . ?
C42 Ru4 Pd1 131.51(10) . . ?
C41 Ru4 Pd1 73.06(10) . . ?
C1 Ru4 Pd1 43.27(7) . . ?
Ru5 Ru4 Pd1 93.806(9) . . ?
Ru1 Ru4 Pd1 56.063(8) . . ?
Ru3 Ru4 Pd1 64.176(8) . . ?
C51 Ru5 C53 94.36(14) . . ?
C51 Ru5 C52 92.53(15) . . ?
C53 Ru5 C52 100.57(13) . . ?
C51 Ru5 C1 128.09(12) . . ?
C53 Ru5 C1 109.59(12) . . ?
C52 Ru5 C1 125.14(12) . . ?
C51 Ru5 Ru2 82.93(10) . . ?
C53 Ru5 Ru2 103.14(9) . . ?
C52 Ru5 Ru2 156.12(9) . . ?
C1 Ru5 Ru2 47.67(7) . . ?
C51 Ru5 Ru4 162.05(10) . . ?
C53 Ru5 Ru4 103.38(10) . . ?
C52 Ru5 Ru4 81.63(10) . . ?
C1 Ru5 Ru4 47.87(7) . . ?
Ru2 Ru5 Ru4 95.535(10) . . ?
C51 Ru5 Ru3 101.97(9) . . ?
C53 Ru5 Ru3 154.76(10) . . ?
C52 Ru5 Ru3 97.83(9) . . ?
C1 Ru5 Ru3 45.20(7) . . ?
Ru2 Ru5 Ru3 60.644(8) . . ?
Ru4 Ru5 Ru3 62.425(8) . . ?
C51 Ru5 Ru1 131.16(11) . . ?
C53 Ru5 Ru1 66.10(10) . . ?
C52 Ru5 Ru1 133.52(10) . . ?
C1 Ru5 Ru1 43.50(7) . . ?
Ru2 Ru5 Ru1 61.104(8) . . ?
Ru4 Ru5 Ru1 60.916(9) . . ?
Ru3 Ru5 Ru1 88.693(9) . . ?
C65 P1 C61 107.28(15) . . ?
C65 P1 C69 108.38(14) . . ?
C61 P1 C69 106.63(15) . . ?
C65 P1 Pd1 109.13(10) . . ?
C61 P1 Pd1 116.21(10) . . ?
C69 P1 Pd1 108.95(10) . . ?
Ru1 C1 Ru3 173.65(15) . . ?
Ru1 C1 Ru2 90.35(11) . . ?
Ru3 C1 Ru2 87.61(10) . . ?
Ru1 C1 Ru4 89.83(10) . . ?
Ru3 C1 Ru4 90.36(11) . . ?
Ru2 C1 Ru4 162.92(14) . . ?
Ru1 C1 Pd1 85.80(10) . . ?
Ru3 C1 Pd1 100.51(10) . . ?
Ru2 C1 Pd1 103.01(11) . . ?
Ru4 C1 Pd1 94.03(11) . . ?
Ru1 C1 Ru5 88.41(9) . . ?
Ru3 C1 Ru5 85.34(10) . . ?
Ru2 C1 Ru5 81.49(9) . . ?
Ru4 C1 Ru5 81.45(9) . . ?
Pd1 C1 Ru5 172.68(13) . . ?
O11 C11 Ru1 141.1(2) . . ?
O11 C11 Pd1 132.0(2) . . ?
Ru1 C11 Pd1 86.89(12) . . ?
O12 C12 Ru1 177.7(3) . . ?
O13 C13 Ru1 178.8(4) . . ?
O21 C21 Ru2 171.4(3) . . ?
O22 C22 Ru2 175.7(3) . . ?
O23 C23 Ru2 178.4(3) . . ?
O31 C31 Ru3 175.7(3) . . ?
O32 C32 Ru3 176.1(3) . . ?
O33 C33 Ru3 175.8(3) . . ?
O41 C41 Ru4 170.7(3) . . ?
O42 C42 Ru4 176.6(3) . . ?
O43 C43 Ru4 177.1(3) . . ?
O51 C51 Ru5 176.2(3) . . ?
O52 C52 Ru5 175.7(3) . . ?
O53 C53 Ru5 168.4(3) . . ?
C64 C61 C63 106.2(3) . . ?
C64 C61 C62 109.3(3) . . ?
C63 C61 C62 106.2(3) . . ?
C64 C61 P1 108.8(2) . . ?
C63 C61 P1 112.1(2) . . ?
C62 C61 P1 113.9(2) . . ?
C66 C65 C67 107.8(3) . . ?
C66 C65 C68 106.9(3) . . ?
C67 C65 C68 108.2(3) . . ?
C66 C65 P1 108.6(2) . . ?
C67 C65 P1 116.4(2) . . ?
C68 C65 P1 108.5(2) . . ?
C70 C69 C72 105.1(3) . . ?
C70 C69 C71 107.0(3) . . ?
C72 C69 C71 108.8(3) . . ?
C70 C69 P1 109.2(2) . . ?
C72 C69 P1 109.0(2) . . ?
C71 C69 P1 117.0(2) . . ?
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
Pd1 C11 2.067(3) . ?
Pd1 C1 2.104(3) . ?
Pd1 P1 2.4515(8) . ?
Pd1 Ru1 2.7998(3) . ?
Pd1 Ru4 3.0612(3) . ?
Pd1 Ru3 3.1767(3) . ?
Pd1 Ru2 3.2666(4) . ?
Ru1 C12 1.904(3) . ?
Ru1 C13 1.906(3) . ?
Ru1 C11 2.004(3) . ?
Ru1 C1 2.008(3) . ?
Ru1 Ru4 2.8873(4) . ?
Ru1 Ru2 2.8927(3) . ?
Ru1 Ru5 2.9161(4) . ?
Ru2 C23 1.894(3) . ?
Ru2 C22 1.910(3) . ?
Ru2 C21 1.913(3) . ?
Ru2 C1 2.070(3) . ?
Ru2 Ru5 2.7691(3) . ?
Ru2 Ru3 2.8364(4) . ?
Ru3 C31 1.896(3) . ?
Ru3 C32 1.896(3) . ?
Ru3 C33 1.906(3) . ?
Ru3 C1 2.027(3) . ?
Ru3 Ru5 2.8474(3) . ?
Ru3 Ru4 2.9142(3) . ?
Ru4 C43 1.897(3) . ?
Ru4 C42 1.910(4) . ?
Ru4 C41 1.911(3) . ?
Ru4 C1 2.081(3) . ?
Ru4 Ru5 2.7748(4) . ?
Ru5 C51 1.906(4) . ?
Ru5 C53 1.908(3) . ?
Ru5 C52 1.920(3) . ?
Ru5 C1 2.171(3) . ?
P1 C65 1.908(3) . ?
P1 C61 1.920(3) . ?
P1 C69 1.926(3) . ?
O11 C11 1.156(4) . ?
O12 C12 1.137(4) . ?
O13 C13 1.137(4) . ?
O21 C21 1.135(3) . ?
O22 C22 1.132(4) . ?
O23 C23 1.136(4) . ?
O31 C31 1.140(3) . ?
O32 C32 1.138(4) . ?
O33 C33 1.137(4) . ?
O41 C41 1.136(4) . ?
O42 C42 1.139(4) . ?
O43 C43 1.135(4) . ?
O51 C51 1.141(4) . ?
O52 C52 1.134(4) . ?
O53 C53 1.144(3) . ?
C61 C64 1.535(5) . ?
C61 C63 1.545(5) . ?
C61 C62 1.545(4) . ?
C65 C66 1.531(4) . ?
C65 C67 1.543(4) . ?
C65 C68 1.544(4) . ?
C69 C70 1.529(5) . ?
C69 C72 1.536(5) . ?
C69 C71 1.542(4) . ?
