#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:50:59 +0100 (vie 25 de mar de 2016) $
#$Revision: 179734 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/30/7003010.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_7003010
loop_
_publ_author_name
'Rankin, Matthew A'
'Hesp, Kevin D'
'Schatte, Gabriele'
'McDonald, Robert'
'Stradiotto, Mark'
_publ_section_title
;
 Exploring the reactivity of a coordinatively unsaturated
 Cp*Ru(kappa(2)-P,O) complex with small molecule substrates:
 application in E-H bond activation (E = H, B, and Si).
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4756
_journal_page_last               4765
_journal_paper_doi               10.1039/b903420j
_journal_year                    2009
_chemical_formula_moiety         'C50 H70 N2 O2 P2 Ru2'
_chemical_formula_sum            'C50 H70 N2 O2 P2 Ru2'
_chemical_formula_weight         995.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 118.873(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4049(11)
_cell_length_b                   13.5276(8)
_cell_length_c                   23.1490(19)
_cell_measurement_reflns_used    9489
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.11
_cell_measurement_theta_min      1.00
_cell_volume                     4772.8(6)
_computing_cell_refinement       'HKL DENZO and SCALEPACK, Bruker AXS/Nonius'
_computing_data_collection       'COLLECT, Bruker AXS/Nonius'
_computing_data_reduction        'HKL DENZO and SCALEPACK, Bruker AXS/Nonius'
_computing_molecular_graphics
' Cameron (WinGX v1.70-01), Ortep (SHELXTL-NT v6.14, Bruker AXS)'
_computing_publication_material  'WinGX v1.70.01 (L. J. Farrugia)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
' SIR-97 (A. Altomare, G. Cascarano, C. Giacovazzo et al., 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'KappaCCD (BruKer AXS-Nonius, FR540C)'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590D, fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1289
_diffrn_reflns_av_sigmaI/netI    0.1058
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16933
_diffrn_reflns_theta_full        21.97
_diffrn_reflns_theta_max         21.97
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  0.9640
_exptl_absorpt_correction_T_min  0.9432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         5742
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1098
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.000
_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+15.8609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                3537
_reflns_number_total             5742
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B903402J.txt
_cod_data_source_block           damsmr0706
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7003010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru1 Ru 0.23926(4) 0.00860(6) 0.13225(3) 0.0219(2) Uani 1 1 d . . .
Ru2 Ru 0.14282(4) -0.00675(6) 0.30458(3) 0.0255(2) Uani 1 1 d . . .
N1 N 0.2228(4) 0.0185(5) 0.2116(4) 0.0223(17) Uani 1 1 d . . .
N2 N 0.2061(4) 0.0048(6) 0.2525(3) 0.0246(16) Uani 1 1 d . . .
P1 P 0.32628(15) 0.15256(18) 0.15821(13) 0.0253(6) Uani 1 1 d . . .
P2 P 0.25950(15) -0.08383(18) 0.39746(13) 0.0287(6) Uani 1 1 d . . .
O1 O 0.1365(3) 0.1151(4) 0.0828(3) 0.0262(15) Uani 1 1 d . . .
O2 O 0.1196(4) -0.1577(5) 0.2712(3) 0.0357(17) Uani 1 1 d . . .
C1 C 0.0935(6) 0.2923(6) 0.0648(4) 0.029(2) Uani 1 1 d . . .
H1A H 0.0631 0.2905 0.0159 0.035 Uiso 1 1 calc R . .
H1B H 0.0495 0.2905 0.0802 0.035 Uiso 1 1 calc R . .
C2 C 0.1588(5) 0.2083(7) 0.0940(4) 0.025(2) Uani 1 1 d . . .
C3A C 0.2404(6) 0.3524(6) 0.1315(5) 0.028(2) Uani 1 1 d . . .
C3 C 0.2435(5) 0.2434(6) 0.1314(4) 0.025(2) Uani 1 1 d . . .
C4 C 0.3028(6) 0.4237(7) 0.1608(5) 0.036(3) Uani 1 1 d . . .
H4 H 0.3624 0.4052 0.1875 0.044 Uiso 1 1 calc . . .
C5 C 0.2804(7) 0.5225(7) 0.1522(6) 0.048(3) Uani 1 1 d . . .
H5 H 0.3242 0.5714 0.1738 0.058 Uiso 1 1 calc . . .
C6 C 0.1945(8) 0.5501(7) 0.1122(6) 0.048(3) Uani 1 1 d . . .
H6 H 0.1797 0.6183 0.1056 0.058 Uiso 1 1 calc . . .
C7 C 0.1296(6) 0.4800(7) 0.0816(5) 0.037(3) Uani 1 1 d . . .
H7 H 0.0704 0.4994 0.0543 0.044 Uiso 1 1 calc . . .
C7A C 0.1521(6) 0.3821(6) 0.0910(5) 0.030(2) Uani 1 1 d . . .
C10 C 0.1728(5) -0.0932(6) 0.0485(5) 0.027(2) Uani 1 1 d . . .
C11 C 0.2579(6) -0.0719(6) 0.0577(5) 0.027(2) Uani 1 1 d . . .
C12 C 0.3209(6) -0.1055(7) 0.1224(5) 0.033(2) Uani 1 1 d . . .
C13 C 0.2732(6) -0.1463(6) 0.1530(4) 0.029(2) Uani 1 1 d . . .
C14 C 0.1794(6) -0.1393(7) 0.1056(5) 0.030(2) Uani 1 1 d . . .
C15 C 0.0895(6) -0.0718(7) -0.0118(5) 0.043(3) Uani 1 1 d . . .
H15A H 0.0404 -0.0806 -0.0028 0.051 Uiso 1 1 calc R . .
H15B H 0.0826 -0.1171 -0.0470 0.051 Uiso 1 1 calc R . .
H15C H 0.0902 -0.0035 -0.0257 0.051 Uiso 1 1 calc R . .
C16 C 0.2788(7) -0.0417(7) 0.0044(5) 0.043(3) Uani 1 1 d . . .
H16A H 0.3348 -0.0061 0.0241 0.052 Uiso 1 1 calc R . .
H16B H 0.2321 0.0014 -0.0271 0.052 Uiso 1 1 calc R . .
H16C H 0.2830 -0.1007 -0.0184 0.052 Uiso 1 1 calc R . .
C17 C 0.4182(6) -0.1126(7) 0.1497(5) 0.040(3) Uani 1 1 d . . .
H17A H 0.4331 -0.1776 0.1390 0.049 Uiso 1 1 calc R . .
H17B H 0.4474 -0.1043 0.1977 0.049 Uiso 1 1 calc R . .
H17C H 0.4379 -0.0607 0.1303 0.049 Uiso 1 1 calc R . .
C18 C 0.3117(5) -0.1934(6) 0.2184(4) 0.030(2) Uani 1 1 d . . .
H18A H 0.3138 -0.2652 0.2136 0.037 Uiso 1 1 calc R . .
H18B H 0.2756 -0.1782 0.2392 0.037 Uiso 1 1 calc R . .
H18C H 0.3713 -0.1682 0.2461 0.037 Uiso 1 1 calc R . .
C19 C 0.1054(5) -0.1754(6) 0.1158(5) 0.030(2) Uani 1 1 d . . .
H19A H 0.0534 -0.1344 0.0903 0.036 Uiso 1 1 calc R . .
H19B H 0.1224 -0.1713 0.1627 0.036 Uiso 1 1 calc R . .
H19C H 0.0920 -0.2443 0.1011 0.036 Uiso 1 1 calc R . .
C21 C 0.4094(5) 0.1810(7) 0.2440(5) 0.036(3) Uani 1 1 d . . .
H21 H 0.4427 0.2404 0.2427 0.043 Uiso 1 1 calc R . .
C22 C 0.3660(6) 0.2078(7) 0.2869(5) 0.044(3) Uani 1 1 d . . .
H22A H 0.3283 0.1533 0.2858 0.053 Uiso 1 1 calc R . .
H22B H 0.3306 0.2678 0.2695 0.053 Uiso 1 1 calc R . .
H22C H 0.4117 0.2194 0.3325 0.053 Uiso 1 1 calc R . .
C23 C 0.4743(6) 0.0976(8) 0.2740(5) 0.050(3) Uani 1 1 d . . .
H23A H 0.5200 0.1167 0.3182 0.060 Uiso 1 1 calc R . .
H23B H 0.5012 0.0833 0.2462 0.060 Uiso 1 1 calc R . .
H23C H 0.4439 0.0385 0.2771 0.060 Uiso 1 1 calc R . .
C24 C 0.3846(6) 0.1744(7) 0.1094(5) 0.033(2) Uani 1 1 d . . .
H24 H 0.4106 0.1097 0.1067 0.040 Uiso 1 1 calc R . .
C25 C 0.3178(6) 0.2029(7) 0.0395(5) 0.045(3) Uani 1 1 d . . .
H25A H 0.2972 0.2704 0.0393 0.054 Uiso 1 1 calc R . .
H25B H 0.2679 0.1572 0.0230 0.054 Uiso 1 1 calc R . .
H25C H 0.3450 0.1996 0.0111 0.054 Uiso 1 1 calc R . .
C26 C 0.4596(6) 0.2500(8) 0.1380(6) 0.057(3) Uani 1 1 d . . .
H26A H 0.4854 0.2558 0.1087 0.069 Uiso 1 1 calc R . .
H26B H 0.5046 0.2281 0.1817 0.069 Uiso 1 1 calc R . .
H26C H 0.4366 0.3144 0.1418 0.069 Uiso 1 1 calc R . .
C31 C 0.1818(6) -0.3248(7) 0.2805(5) 0.042(3) Uani 1 1 d . . .
H31A H 0.1332 -0.3635 0.2800 0.050 Uiso 1 1 calc R . .
H31B H 0.1762 -0.3259 0.2358 0.050 Uiso 1 1 calc R . .
C32 C 0.1824(6) -0.2195(7) 0.3035(5) 0.030(2) Uani 1 1 d . . .
C33A C 0.3130(6) -0.2915(7) 0.3799(5) 0.034(3) Uani 1 1 d . . .
C33 C 0.2581(6) -0.2024(6) 0.3619(5) 0.029(2) Uani 1 1 d . . .
C34 C 0.3965(6) -0.3095(7) 0.4327(5) 0.035(3) Uani 1 1 d . . .
H34 H 0.4264 -0.2604 0.4653 0.042 Uiso 1 1 calc . . .
C35 C 0.4350(7) -0.4018(9) 0.4363(6) 0.052(3) Uani 1 1 d . . .
H35 H 0.4910 -0.4168 0.4723 0.063 Uiso 1 1 calc . . .
C36 C 0.3910(9) -0.4715(8) 0.3869(7) 0.060(4) Uani 1 1 d . . .
H36 H 0.4189 -0.5327 0.3888 0.072 Uiso 1 1 calc . . .
C37A C 0.2693(6) -0.3637(7) 0.3311(5) 0.040(3) Uani 1 1 d . . .
C37 C 0.3087(8) -0.4543(7) 0.3358(6) 0.055(3) Uani 1 1 d . . .
H37 H 0.2789 -0.5042 0.3038 0.066 Uiso 1 1 calc . . .
C41 C 0.2450(6) -0.1093(8) 0.4694(5) 0.041(3) Uani 1 1 d . . .
H41 H 0.2319 -0.0448 0.4839 0.050 Uiso 1 1 calc R . .
C42 C 0.1650(6) -0.1762(7) 0.4495(5) 0.047(3) Uani 1 1 d . . .
H42A H 0.1808 -0.2447 0.4461 0.056 Uiso 1 1 calc R . .
H42B H 0.1172 -0.1548 0.4067 0.056 Uiso 1 1 calc R . .
H42C H 0.1459 -0.1721 0.4829 0.056 Uiso 1 1 calc R . .
C43 C 0.3248(6) -0.1552(8) 0.5300(5) 0.045(3) Uani 1 1 d . . .
H43A H 0.3072 -0.1756 0.5626 0.054 Uiso 1 1 calc R . .
H43B H 0.3719 -0.1062 0.5498 0.054 Uiso 1 1 calc R . .
H43C H 0.3457 -0.2130 0.5160 0.054 Uiso 1 1 calc R . .
C44 C 0.3727(6) -0.0328(7) 0.4347(5) 0.038(3) Uani 1 1 d . . .
H44 H 0.4121 -0.0748 0.4733 0.045 Uiso 1 1 calc R . .
C45 C 0.3729(7) 0.0729(8) 0.4595(6) 0.055(3) Uani 1 1 d . . .
H45A H 0.4320 0.1009 0.4778 0.066 Uiso 1 1 calc R . .
H45B H 0.3553 0.0710 0.4938 0.066 Uiso 1 1 calc R . .
H45C H 0.3316 0.1139 0.4227 0.066 Uiso 1 1 calc R . .
C46 C 0.4065(6) -0.0346(7) 0.3849(5) 0.042(3) Uani 1 1 d . . .
H46A H 0.3666 0.0030 0.3456 0.051 Uiso 1 1 calc R . .
H46B H 0.4097 -0.1031 0.3725 0.051 Uiso 1 1 calc R . .
H46C H 0.4651 -0.0049 0.4048 0.051 Uiso 1 1 calc R . .
C50 C 0.0080(6) 0.0408(7) 0.2405(5) 0.035(3) Uani 1 1 d . . .
C51 C 0.0202(6) 0.0176(8) 0.3040(5) 0.040(3) Uani 1 1 d . . .
C52 C 0.0794(7) 0.0822(9) 0.3491(5) 0.046(3) Uani 1 1 d . . .
C53 C 0.1110(7) 0.1457(7) 0.3158(6) 0.050(3) Uani 1 1 d . . .
C54 C 0.0630(6) 0.1191(7) 0.2466(5) 0.035(3) Uani 1 1 d . . .
C55 C -0.0522(6) -0.0126(9) 0.1769(5) 0.059(3) Uani 1 1 d . . .
H55A H -0.1103 0.0184 0.1565 0.071 Uiso 1 1 calc R . .
H55B H -0.0574 -0.0821 0.1865 0.071 Uiso 1 1 calc R . .
H55C H -0.0279 -0.0087 0.1466 0.071 Uiso 1 1 calc R . .
C56 C -0.0371(7) -0.0602(9) 0.3124(7) 0.073(4) Uani 1 1 d . . .
H56A H -0.0129 -0.0760 0.3593 0.088 Uiso 1 1 calc R . .
H56B H -0.0384 -0.1201 0.2881 0.088 Uiso 1 1 calc R . .
H56C H -0.0969 -0.0345 0.2951 0.088 Uiso 1 1 calc R . .
C57 C 0.0998(9) 0.0926(10) 0.4196(6) 0.089(5) Uani 1 1 d . . .
H57A H 0.0581 0.1386 0.4222 0.106 Uiso 1 1 calc R . .
H57B H 0.1595 0.1181 0.4460 0.106 Uiso 1 1 calc R . .
H57C H 0.0951 0.0279 0.4366 0.106 Uiso 1 1 calc R . .
C58 C 0.1691(8) 0.2341(8) 0.3448(7) 0.084(4) Uani 1 1 d . . .
H58A H 0.1329 0.2926 0.3392 0.100 Uiso 1 1 calc R . .
H58B H 0.2037 0.2447 0.3222 0.100 Uiso 1 1 calc R . .
H58C H 0.2087 0.2229 0.3918 0.100 Uiso 1 1 calc R . .
C59 C 0.0697(6) 0.1717(7) 0.1922(5) 0.045(3) Uani 1 1 d . . .
H59A H 0.0639 0.1238 0.1586 0.054 Uiso 1 1 calc R . .
H59B H 0.1267 0.2048 0.2102 0.054 Uiso 1 1 calc R . .
H59C H 0.0227 0.2210 0.1722 0.054 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'
N N 0.0061 0.0033 '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
N1 Ru1 O1 89.6(2) . . ?
N1 Ru1 C13 90.3(3) . . ?
O1 Ru1 C13 146.6(3) . . ?
N1 Ru1 C12 122.3(3) . . ?
O1 Ru1 C12 146.7(3) . . ?
C13 Ru1 C12 38.6(3) . . ?
N1 Ru1 C11 154.0(3) . . ?
O1 Ru1 C11 108.4(3) . . ?
C13 Ru1 C11 64.3(3) . . ?
C12 Ru1 C11 38.3(3) . . ?
N1 Ru1 C10 127.3(3) . . ?
O1 Ru1 C10 90.1(3) . . ?
C13 Ru1 C10 63.9(3) . . ?
C12 Ru1 C10 63.7(3) . . ?
C11 Ru1 C10 37.8(3) . . ?
N1 Ru1 C14 93.4(3) . . ?
O1 Ru1 C14 107.5(3) . . ?
C13 Ru1 C14 39.2(3) . . ?
C12 Ru1 C14 64.7(3) . . ?
C11 Ru1 C14 63.8(3) . . ?
C10 Ru1 C14 37.5(3) . . ?
N1 Ru1 P1 94.0(2) . . ?
O1 Ru1 P1 81.32(16) . . ?
C13 Ru1 P1 132.0(2) . . ?
C12 Ru1 P1 103.9(2) . . ?
C11 Ru1 P1 106.8(2) . . ?
C10 Ru1 P1 137.9(2) . . ?
C14 Ru1 P1 168.5(2) . . ?
N2 Ru2 O2 85.4(3) . . ?
N2 Ru2 C51 145.1(3) . . ?
O2 Ru2 C51 97.4(3) . . ?
N2 Ru2 C50 107.0(3) . . ?
O2 Ru2 C50 94.7(3) . . ?
C51 Ru2 C50 38.1(3) . . ?
N2 Ru2 C53 104.1(4) . . ?
O2 Ru2 C53 157.6(3) . . ?
C51 Ru2 C53 63.2(4) . . ?
C50 Ru2 C53 63.3(4) . . ?
N2 Ru2 C52 142.2(4) . . ?
O2 Ru2 C52 129.7(4) . . ?
C51 Ru2 C52 36.7(4) . . ?
C50 Ru2 C52 62.5(4) . . ?
C53 Ru2 C52 38.1(4) . . ?
N2 Ru2 C54 86.6(3) . . ?
O2 Ru2 C54 124.2(3) . . ?
C51 Ru2 C54 63.0(3) . . ?
C50 Ru2 C54 37.0(3) . . ?
C53 Ru2 C54 38.6(4) . . ?
C52 Ru2 C54 63.2(3) . . ?
N2 Ru2 P2 95.8(2) . . ?
O2 Ru2 P2 80.72(18) . . ?
C51 Ru2 P2 119.0(3) . . ?
C50 Ru2 P2 156.3(3) . . ?
C53 Ru2 P2 117.6(3) . . ?
C52 Ru2 P2 102.7(3) . . ?
C54 Ru2 P2 155.1(3) . . ?
N2 N1 Ru1 165.5(7) . . ?
N1 N2 Ru2 163.5(6) . . ?
C3 P1 C21 108.4(4) . . ?
C3 P1 C24 105.5(4) . . ?
C21 P1 C24 104.2(4) . . ?
C3 P1 Ru1 99.8(3) . . ?
C21 P1 Ru1 121.3(3) . . ?
C24 P1 Ru1 116.4(3) . . ?
C33 P2 C41 105.7(5) . . ?
C33 P2 C44 108.7(4) . . ?
C41 P2 C44 103.2(4) . . ?
C33 P2 Ru2 99.2(3) . . ?
C41 P2 Ru2 118.2(3) . . ?
C44 P2 Ru2 120.6(3) . . ?
C2 O1 Ru1 116.8(5) . . ?
C32 O2 Ru2 116.5(6) . . ?
C7A C1 C2 102.1(7) . . ?
C7A C1 H1A 111.4 . . ?
C2 C1 H1A 111.4 . . ?
C7A C1 H1B 111.4 . . ?
C2 C1 H1B 111.4 . . ?
H1A C1 H1B 109.2 . . ?
O1 C2 C3 125.4(8) . . ?
O1 C2 C1 123.2(8) . . ?
C3 C2 C1 111.3(8) . . ?
C4 C3A C7A 118.5(8) . . ?
C4 C3A C3 133.4(8) . . ?
C7A C3A C3 108.2(8) . . ?
C2 C3 C3A 108.3(8) . . ?
C2 C3 P1 115.1(6) . . ?
C3A C3 P1 136.1(6) . . ?
C3A C4 C5 120.8(9) . . ?
C3A C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 120.0(9) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 120.8(9) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C7A C7 C6 118.9(9) . . ?
C7A C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C7 C7A C3A 121.0(9) . . ?
C7 C7A C1 128.9(9) . . ?
C3A C7A C1 110.1(8) . . ?
C14 C10 C11 110.0(8) . . ?
C14 C10 C15 124.7(8) . . ?
C11 C10 C15 125.3(9) . . ?
C14 C10 Ru1 71.4(5) . . ?
C11 C10 Ru1 71.0(5) . . ?
C15 C10 Ru1 124.7(6) . . ?
C10 C11 C12 107.9(8) . . ?
C10 C11 C16 125.5(9) . . ?
C12 C11 C16 125.2(8) . . ?
C10 C11 Ru1 71.3(5) . . ?
C12 C11 Ru1 70.5(5) . . ?
C16 C11 Ru1 134.3(6) . . ?
C11 C12 C13 107.7(7) . . ?
C11 C12 C17 126.8(8) . . ?
C13 C12 C17 124.8(9) . . ?
C11 C12 Ru1 71.2(5) . . ?
C13 C12 Ru1 70.1(5) . . ?
C17 C12 Ru1 131.4(7) . . ?
C12 C13 C14 107.8(8) . . ?
C12 C13 C18 126.1(8) . . ?
C14 C13 C18 125.9(8) . . ?
C12 C13 Ru1 71.3(5) . . ?
C14 C13 Ru1 71.7(5) . . ?
C18 C13 Ru1 125.9(6) . . ?
C10 C14 C13 106.6(7) . . ?
C10 C14 C19 127.1(8) . . ?
C13 C14 C19 126.4(8) . . ?
C10 C14 Ru1 71.0(5) . . ?
C13 C14 Ru1 69.1(5) . . ?
C19 C14 Ru1 125.4(6) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C21 C22 111.6(8) . . ?
C23 C21 P1 111.3(7) . . ?
C22 C21 P1 111.5(6) . . ?
C23 C21 H21 107.4 . . ?
C22 C21 H21 107.4 . . ?
P1 C21 H21 107.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C26 110.2(8) . . ?
C25 C24 P1 108.9(6) . . ?
C26 C24 P1 116.1(7) . . ?
C25 C24 H24 107.1 . . ?
C26 C24 H24 107.1 . . ?
P1 C24 H24 107.1 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C37A C31 C32 102.9(8) . . ?
C37A C31 H31A 111.2 . . ?
C32 C31 H31A 111.2 . . ?
C37A C31 H31B 111.2 . . ?
C32 C31 H31B 111.2 . . ?
H31A C31 H31B 109.1 . . ?
O2 C32 C33 126.9(9) . . ?
O2 C32 C31 122.9(9) . . ?
C33 C32 C31 110.1(9) . . ?
C34 C33A C37A 120.9(9) . . ?
C34 C33A C33 130.7(10) . . ?
C37A C33A C33 108.4(9) . . ?
C32 C33 C33A 108.9(8) . . ?
C32 C33 P2 113.3(7) . . ?
C33A C33 P2 137.7(8) . . ?
C33A C34 C35 118.3(10) . . ?
C33A C34 H34 120.9 . . ?
C35 C34 H34 120.9 . . ?
C36 C35 C34 119.8(10) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C37 C36 C35 121.8(10) . . ?
C37 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
C37 C37A C33A 119.7(10) . . ?
C37 C37A C31 130.7(11) . . ?
C33A C37A C31 109.6(8) . . ?
C36 C37 C37A 119.5(11) . . ?
C36 C37 H37 120.3 . . ?
C37A C37 H37 120.3 . . ?
C42 C41 C43 108.8(8) . . ?
C42 C41 P2 109.9(7) . . ?
C43 C41 P2 116.2(6) . . ?
C42 C41 H41 107.2 . . ?
C43 C41 H41 107.2 . . ?
P2 C41 H41 107.2 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C46 C44 C45 111.3(8) . . ?
C46 C44 P2 110.6(6) . . ?
C45 C44 P2 109.2(6) . . ?
C46 C44 H44 108.5 . . ?
C45 C44 H44 108.5 . . ?
P2 C44 H44 108.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C54 C50 C51 108.3(9) . . ?
C54 C50 C55 125.6(9) . . ?
C51 C50 C55 126.0(9) . . ?
C54 C50 Ru2 72.2(5) . . ?
C51 C50 Ru2 69.9(5) . . ?
C55 C50 Ru2 122.1(6) . . ?
C52 C51 C50 109.2(9) . . ?
C52 C51 C56 130.0(10) . . ?
C50 C51 C56 120.4(10) . . ?
C52 C51 Ru2 73.4(5) . . ?
C50 C51 Ru2 72.0(5) . . ?
C56 C51 Ru2 126.9(7) . . ?
C51 C52 C53 108.5(9) . . ?
C51 C52 C57 125.7(11) . . ?
C53 C52 C57 125.5(12) . . ?
C51 C52 Ru2 69.9(5) . . ?
C53 C52 Ru2 70.4(5) . . ?
C57 C52 Ru2 130.7(7) . . ?
C52 C53 C54 106.3(9) . . ?
C52 C53 C58 126.2(12) . . ?
C54 C53 C58 126.6(11) . . ?
C52 C53 Ru2 71.5(6) . . ?
C54 C53 Ru2 71.2(6) . . ?
C58 C53 Ru2 130.6(7) . . ?
C50 C54 C53 107.6(9) . . ?
C50 C54 C59 127.3(10) . . ?
C53 C54 C59 125.1(10) . . ?
C50 C54 Ru2 70.9(5) . . ?
C53 C54 Ru2 70.1(6) . . ?
C59 C54 Ru2 126.8(6) . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 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 N1 1.996(7) . ?
Ru1 O1 2.147(6) . ?
Ru1 C13 2.167(9) . ?
Ru1 C12 2.183(9) . ?
Ru1 C11 2.193(8) . ?
Ru1 C10 2.197(8) . ?
Ru1 C14 2.202(9) . ?
Ru1 P1 2.360(2) . ?
Ru2 N2 1.994(7) . ?
Ru2 O2 2.151(6) . ?
Ru2 C51 2.154(8) . ?
Ru2 C50 2.182(9) . ?
Ru2 C53 2.183(10) . ?
Ru2 C52 2.197(9) . ?
Ru2 C54 2.198(9) . ?
Ru2 P2 2.370(3) . ?
N1 N2 1.131(8) . ?
P1 C3 1.763(8) . ?
P1 C21 1.846(9) . ?
P1 C24 1.872(8) . ?
P2 C33 1.797(9) . ?
P2 C41 1.833(9) . ?
P2 C44 1.861(9) . ?
O1 C2 1.307(10) . ?
O2 C32 1.291(10) . ?
C1 C7A 1.512(12) . ?
C1 C2 1.515(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.385(12) . ?
C3A C4 1.364(12) . ?
C3A C7A 1.417(12) . ?
C3A C3 1.476(12) . ?
C4 C5 1.378(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.380(13) . ?
C6 H6 0.9500 . ?
C7 C7A 1.368(12) . ?
C7 H7 0.9500 . ?
C10 C14 1.415(12) . ?
C10 C11 1.421(11) . ?
C10 C15 1.478(12) . ?
C11 C12 1.436(13) . ?
C11 C16 1.501(12) . ?
C12 C13 1.437(12) . ?
C12 C17 1.498(11) . ?
C13 C14 1.466(12) . ?
C13 C18 1.473(12) . ?
C14 C19 1.499(11) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 C23 1.507(12) . ?
C21 C22 1.555(12) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.516(13) . ?
C24 C26 1.534(12) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 C37A 1.499(13) . ?
C31 C32 1.519(12) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.377(13) . ?
C33A C34 1.395(13) . ?
C33A C37A 1.408(14) . ?
C33A C33 1.469(12) . ?
C34 C35 1.401(14) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(16) . ?
C35 H35 0.9500 . ?
C36 C37 1.367(16) . ?
C36 H36 0.9500 . ?
C37A C37 1.384(13) . ?
C37 H37 0.9500 . ?
C41 C42 1.533(12) . ?
C41 C43 1.550(12) . ?
C41 H41 1.0000 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C46 1.526(12) . ?
C44 C45 1.539(13) . ?
C44 H44 1.0000 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C50 C54 1.388(13) . ?
C50 C51 1.417(12) . ?
C50 C55 1.516(13) . ?
C51 C52 1.370(14) . ?
C51 C56 1.524(13) . ?
C52 C53 1.429(14) . ?
C52 C57 1.500(14) . ?
C53 C54 1.450(14) . ?
C53 C58 1.500(14) . ?
C54 C59 1.499(12) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Ru1 N1 N2 108(3) . . . . ?
C13 Ru1 N1 N2 -38(3) . . . . ?
C12 Ru1 N1 N2 -61(3) . . . . ?
C11 Ru1 N1 N2 -27(3) . . . . ?
C10 Ru1 N1 N2 18(3) . . . . ?
C14 Ru1 N1 N2 1(3) . . . . ?
P1 Ru1 N1 N2 -170(3) . . . . ?
Ru1 N1 N2 Ru2 -82(4) . . . . ?
O2 Ru2 N2 N1 92(2) . . . . ?
C51 Ru2 N2 N1 -4(3) . . . . ?
C50 Ru2 N2 N1 -1(3) . . . . ?
C53 Ru2 N2 N1 -67(3) . . . . ?
C52 Ru2 N2 N1 -68(3) . . . . ?
C54 Ru2 N2 N1 -33(2) . . . . ?
P2 Ru2 N2 N1 172(2) . . . . ?
N1 Ru1 P1 C3 -78.8(4) . . . . ?
O1 Ru1 P1 C3 10.1(3) . . . . ?
C13 Ru1 P1 C3 -172.9(4) . . . . ?
C12 Ru1 P1 C3 156.5(4) . . . . ?
C11 Ru1 P1 C3 116.9(4) . . . . ?
C10 Ru1 P1 C3 90.6(5) . . . . ?
C14 Ru1 P1 C3 151.0(13) . . . . ?
N1 Ru1 P1 C21 39.9(4) . . . . ?
O1 Ru1 P1 C21 128.9(4) . . . . ?
C13 Ru1 P1 C21 -54.2(5) . . . . ?
C12 Ru1 P1 C21 -84.7(4) . . . . ?
C11 Ru1 P1 C21 -124.4(4) . . . . ?
C10 Ru1 P1 C21 -150.6(5) . . . . ?
C14 Ru1 P1 C21 -90.2(13) . . . . ?
N1 Ru1 P1 C24 168.4(4) . . . . ?
O1 Ru1 P1 C24 -102.7(4) . . . . ?
C13 Ru1 P1 C24 74.3(5) . . . . ?
C12 Ru1 P1 C24 43.7(4) . . . . ?
C11 Ru1 P1 C24 4.0(4) . . . . ?
C10 Ru1 P1 C24 -22.2(5) . . . . ?
C14 Ru1 P1 C24 38.2(14) . . . . ?
N2 Ru2 P2 C33 -70.1(4) . . . . ?
O2 Ru2 P2 C33 14.3(3) . . . . ?
C51 Ru2 P2 C33 107.6(5) . . . . ?
C50 Ru2 P2 C33 94.7(7) . . . . ?
C53 Ru2 P2 C33 -179.4(4) . . . . ?
C52 Ru2 P2 C33 143.0(4) . . . . ?
C54 Ru2 P2 C33 -164.6(6) . . . . ?
N2 Ru2 P2 C41 176.3(4) . . . . ?
O2 Ru2 P2 C41 -99.3(4) . . . . ?
C51 Ru2 P2 C41 -5.9(5) . . . . ?
C50 Ru2 P2 C41 -18.9(8) . . . . ?
C53 Ru2 P2 C41 67.1(5) . . . . ?
C52 Ru2 P2 C41 29.5(5) . . . . ?
C54 Ru2 P2 C41 81.9(7) . . . . ?
N2 Ru2 P2 C44 48.1(4) . . . . ?
O2 Ru2 P2 C44 132.5(4) . . . . ?
C51 Ru2 P2 C44 -134.1(5) . . . . ?
C50 Ru2 P2 C44 -147.1(7) . . . . ?
C53 Ru2 P2 C44 -61.1(5) . . . . ?
C52 Ru2 P2 C44 -98.7(5) . . . . ?
C54 Ru2 P2 C44 -46.3(7) . . . . ?
N1 Ru1 O1 C2 84.7(6) . . . . ?
C13 Ru1 O1 C2 174.7(6) . . . . ?
C12 Ru1 O1 C2 -111.5(7) . . . . ?
C11 Ru1 O1 C2 -114.4(6) . . . . ?
C10 Ru1 O1 C2 -148.0(6) . . . . ?
C14 Ru1 O1 C2 178.2(6) . . . . ?
P1 Ru1 O1 C2 -9.4(5) . . . . ?
N2 Ru2 O2 C32 82.0(6) . . . . ?
C51 Ru2 O2 C32 -133.0(6) . . . . ?
C50 Ru2 O2 C32 -171.2(6) . . . . ?
C53 Ru2 O2 C32 -161.3(10) . . . . ?
C52 Ru2 O2 C32 -113.5(6) . . . . ?
C54 Ru2 O2 C32 164.8(6) . . . . ?
P2 Ru2 O2 C32 -14.6(6) . . . . ?
Ru1 O1 C2 C3 4.4(11) . . . . ?
Ru1 O1 C2 C1 -177.9(6) . . . . ?
C7A C1 C2 O1 -178.6(8) . . . . ?
C7A C1 C2 C3 -0.6(9) . . . . ?
O1 C2 C3 C3A 179.7(8) . . . . ?
C1 C2 C3 C3A 1.8(10) . . . . ?
O1 C2 C3 P1 6.4(11) . . . . ?
C1 C2 C3 P1 -171.5(6) . . . . ?
C4 C3A C3 C2 178.4(10) . . . . ?
C7A C3A C3 C2 -2.3(10) . . . . ?
C4 C3A C3 P1 -10.4(17) . . . . ?
C7A C3A C3 P1 168.9(8) . . . . ?
C21 P1 C3 C2 -139.6(7) . . . . ?
C24 P1 C3 C2 109.2(7) . . . . ?
Ru1 P1 C3 C2 -11.8(7) . . . . ?
C21 P1 C3 C3A 49.6(11) . . . . ?
C24 P1 C3 C3A -61.6(10) . . . . ?
Ru1 P1 C3 C3A 177.4(9) . . . . ?
C7A C3A C4 C5 1.0(14) . . . . ?
C3 C3A C4 C5 -179.8(10) . . . . ?
C3A C4 C5 C6 -1.7(16) . . . . ?
C4 C5 C6 C7 1.5(16) . . . . ?
C5 C6 C7 C7A -0.6(15) . . . . ?
C6 C7 C7A C3A -0.1(14) . . . . ?
C6 C7 C7A C1 178.2(9) . . . . ?
C4 C3A C7A C7 -0.1(13) . . . . ?
C3 C3A C7A C7 -179.5(8) . . . . ?
C4 C3A C7A C1 -178.6(8) . . . . ?
C3 C3A C7A C1 1.9(10) . . . . ?
C2 C1 C7A C7 -179.3(9) . . . . ?
C2 C1 C7A C3A -0.9(9) . . . . ?
N1 Ru1 C10 C14 -29.8(6) . . . . ?
O1 Ru1 C10 C14 -119.4(5) . . . . ?
C13 Ru1 C10 C14 38.8(5) . . . . ?
C12 Ru1 C10 C14 82.0(6) . . . . ?
C11 Ru1 C10 C14 119.8(8) . . . . ?
P1 Ru1 C10 C14 163.5(4) . . . . ?
N1 Ru1 C10 C11 -149.6(5) . . . . ?
O1 Ru1 C10 C11 120.8(5) . . . . ?
C13 Ru1 C10 C11 -81.0(6) . . . . ?
C12 Ru1 C10 C11 -37.8(5) . . . . ?
C14 Ru1 C10 C11 -119.8(8) . . . . ?
P1 Ru1 C10 C11 43.7(7) . . . . ?
N1 Ru1 C10 C15 90.1(8) . . . . ?
O1 Ru1 C10 C15 0.5(8) . . . . ?
C13 Ru1 C10 C15 158.7(9) . . . . ?
C12 Ru1 C10 C15 -158.1(9) . . . . ?
C11 Ru1 C10 C15 -120.3(10) . . . . ?
C14 Ru1 C10 C15 119.9(10) . . . . ?
P1 Ru1 C10 C15 -76.7(8) . . . . ?
C14 C10 C11 C12 0.2(10) . . . . ?
C15 C10 C11 C12 -179.1(8) . . . . ?
Ru1 C10 C11 C12 61.3(6) . . . . ?
C14 C10 C11 C16 167.4(8) . . . . ?
C15 C10 C11 C16 -12.0(14) . . . . ?
Ru1 C10 C11 C16 -131.6(9) . . . . ?
C14 C10 C11 Ru1 -61.1(6) . . . . ?
C15 C10 C11 Ru1 119.6(9) . . . . ?
N1 Ru1 C11 C10 66.9(9) . . . . ?
O1 Ru1 C11 C10 -64.8(5) . . . . ?
C13 Ru1 C11 C10 79.9(6) . . . . ?
C12 Ru1 C11 C10 117.7(7) . . . . ?
C14 Ru1 C11 C10 36.1(5) . . . . ?
P1 Ru1 C11 C10 -151.1(5) . . . . ?
N1 Ru1 C11 C12 -50.8(9) . . . . ?
O1 Ru1 C11 C12 177.5(5) . . . . ?
C13 Ru1 C11 C12 -37.8(5) . . . . ?
C10 Ru1 C11 C12 -117.7(7) . . . . ?
C14 Ru1 C11 C12 -81.6(5) . . . . ?
P1 Ru1 C11 C12 91.2(5) . . . . ?
N1 Ru1 C11 C16 -171.4(7) . . . . ?
O1 Ru1 C11 C16 56.9(10) . . . . ?
C13 Ru1 C11 C16 -158.4(10) . . . . ?
C12 Ru1 C11 C16 -120.6(11) . . . . ?
C10 Ru1 C11 C16 121.7(12) . . . . ?
C14 Ru1 C11 C16 157.8(10) . . . . ?
P1 Ru1 C11 C16 -29.4(10) . . . . ?
C10 C11 C12 C13 -0.9(10) . . . . ?
C16 C11 C12 C13 -168.0(8) . . . . ?
Ru1 C11 C12 C13 60.9(6) . . . . ?
C10 C11 C12 C17 170.0(9) . . . . ?
C16 C11 C12 C17 2.8(15) . . . . ?
Ru1 C11 C12 C17 -128.2(10) . . . . ?
C10 C11 C12 Ru1 -61.8(6) . . . . ?
C16 C11 C12 Ru1 131.0(9) . . . . ?
N1 Ru1 C12 C11 156.4(5) . . . . ?
O1 Ru1 C12 C11 -4.4(8) . . . . ?
C13 Ru1 C12 C11 117.7(7) . . . . ?
C10 Ru1 C12 C11 37.2(5) . . . . ?
C14 Ru1 C12 C11 79.1(5) . . . . ?
P1 Ru1 C12 C11 -99.7(5) . . . . ?
N1 Ru1 C12 C13 38.7(6) . . . . ?
O1 Ru1 C12 C13 -122.0(6) . . . . ?
C11 Ru1 C12 C13 -117.7(7) . . . . ?
C10 Ru1 C12 C13 -80.4(6) . . . . ?
C14 Ru1 C12 C13 -38.6(5) . . . . ?
P1 Ru1 C12 C13 142.7(5) . . . . ?
N1 Ru1 C12 C17 -80.7(9) . . . . ?
O1 Ru1 C12 C17 118.6(9) . . . . ?
C13 Ru1 C12 C17 -119.4(11) . . . . ?
C11 Ru1 C12 C17 122.9(11) . . . . ?
C10 Ru1 C12 C17 160.2(10) . . . . ?
C14 Ru1 C12 C17 -158.0(10) . . . . ?
P1 Ru1 C12 C17 23.2(9) . . . . ?
C11 C12 C13 C14 1.2(10) . . . . ?
C17 C12 C13 C14 -169.9(9) . . . . ?
Ru1 C12 C13 C14 62.8(6) . . . . ?
C11 C12 C13 C18 177.1(8) . . . . ?
C17 C12 C13 C18 6.0(15) . . . . ?
Ru1 C12 C13 C18 -121.3(9) . . . . ?
C11 C12 C13 Ru1 -61.6(6) . . . . ?
C17 C12 C13 Ru1 127.3(9) . . . . ?
N1 Ru1 C13 C12 -148.1(5) . . . . ?
O1 Ru1 C13 C12 122.2(6) . . . . ?
C11 Ru1 C13 C12 37.5(5) . . . . ?
C10 Ru1 C13 C12 79.7(6) . . . . ?
C14 Ru1 C13 C12 116.9(7) . . . . ?
P1 Ru1 C13 C12 -52.4(6) . . . . ?
N1 Ru1 C13 C14 95.0(5) . . . . ?
O1 Ru1 C13 C14 5.3(8) . . . . ?
C12 Ru1 C13 C14 -116.9(7) . . . . ?
C11 Ru1 C13 C14 -79.4(5) . . . . ?
C10 Ru1 C13 C14 -37.2(5) . . . . ?
P1 Ru1 C13 C14 -169.3(4) . . . . ?
N1 Ru1 C13 C18 -26.5(7) . . . . ?
O1 Ru1 C13 C18 -116.2(7) . . . . ?
C12 Ru1 C13 C18 121.6(10) . . . . ?
C11 Ru1 C13 C18 159.1(8) . . . . ?
C10 Ru1 C13 C18 -158.7(8) . . . . ?
C14 Ru1 C13 C18 -121.5(9) . . . . ?
P1 Ru1 C13 C18 69.2(8) . . . . ?
C11 C10 C14 C13 0.5(10) . . . . ?
C15 C10 C14 C13 179.8(8) . . . . ?
Ru1 C10 C14 C13 -60.3(6) . . . . ?
C11 C10 C14 C19 -178.7(8) . . . . ?
C15 C10 C14 C19 0.6(14) . . . . ?
Ru1 C10 C14 C19 120.5(9) . . . . ?
C11 C10 C14 Ru1 60.8(6) . . . . ?
C15 C10 C14 Ru1 -119.9(8) . . . . ?
C12 C13 C14 C10 -1.0(10) . . . . ?
C18 C13 C14 C10 -177.0(8) . . . . ?
Ru1 C13 C14 C10 61.5(6) . . . . ?
C12 C13 C14 C19 178.2(8) . . . . ?
C18 C13 C14 C19 2.2(14) . . . . ?
Ru1 C13 C14 C19 -119.2(9) . . . . ?
C12 C13 C14 Ru1 -62.6(6) . . . . ?
C18 C13 C14 Ru1 121.5(9) . . . . ?
N1 Ru1 C14 C10 156.7(5) . . . . ?
O1 Ru1 C14 C10 66.0(5) . . . . ?
C13 Ru1 C14 C10 -117.0(7) . . . . ?
C12 Ru1 C14 C10 -79.0(5) . . . . ?
C11 Ru1 C14 C10 -36.3(5) . . . . ?
P1 Ru1 C14 C10 -73.1(15) . . . . ?
N1 Ru1 C14 C13 -86.3(5) . . . . ?
O1 Ru1 C14 C13 -177.0(5) . . . . ?
C12 Ru1 C14 C13 38.0(5) . . . . ?
C11 Ru1 C14 C13 80.7(5) . . . . ?
C10 Ru1 C14 C13 117.0(7) . . . . ?
P1 Ru1 C14 C13 43.9(15) . . . . ?
N1 Ru1 C14 C19 34.1(8) . . . . ?
O1 Ru1 C14 C19 -56.5(8) . . . . ?
C13 Ru1 C14 C19 120.5(10) . . . . ?
C12 Ru1 C14 C19 158.4(9) . . . . ?
C11 Ru1 C14 C19 -158.8(9) . . . . ?
C10 Ru1 C14 C19 -122.5(10) . . . . ?
P1 Ru1 C14 C19 164.4(8) . . . . ?
C3 P1 C21 C23 170.6(6) . . . . ?
C24 P1 C21 C23 -77.4(7) . . . . ?
Ru1 P1 C21 C23 56.2(7) . . . . ?
C3 P1 C21 C22 45.3(8) . . . . ?
C24 P1 C21 C22 157.3(7) . . . . ?
Ru1 P1 C21 C22 -69.1(7) . . . . ?
C3 P1 C24 C25 -38.3(8) . . . . ?
C21 P1 C24 C25 -152.5(7) . . . . ?
Ru1 P1 C24 C25 71.2(7) . . . . ?
C3 P1 C24 C26 86.7(8) . . . . ?
C21 P1 C24 C26 -27.4(8) . . . . ?
Ru1 P1 C24 C26 -163.7(6) . . . . ?
Ru2 O2 C32 C33 8.9(11) . . . . ?
Ru2 O2 C32 C31 -170.8(6) . . . . ?
C37A C31 C32 O2 176.6(8) . . . . ?
C37A C31 C32 C33 -3.2(10) . . . . ?
O2 C32 C33 C33A -177.8(8) . . . . ?
C31 C32 C33 C33A 2.0(10) . . . . ?
O2 C32 C33 P2 6.3(12) . . . . ?
C31 C32 C33 P2 -173.9(6) . . . . ?
C34 C33A C33 C32 177.1(9) . . . . ?
C37A C33A C33 C32 0.1(10) . . . . ?
C34 C33A C33 P2 -8.5(16) . . . . ?
C37A C33A C33 P2 174.6(8) . . . . ?
C41 P2 C33 C32 107.6(7) . . . . ?
C44 P2 C33 C32 -142.2(7) . . . . ?
Ru2 P2 C33 C32 -15.4(7) . . . . ?
C41 P2 C33 C33A -66.7(10) . . . . ?
C44 P2 C33 C33A 43.5(11) . . . . ?
Ru2 P2 C33 C33A 170.4(9) . . . . ?
C37A C33A C34 C35 -1.0(13) . . . . ?
C33 C33A C34 C35 -177.6(9) . . . . ?
C33A C34 C35 C36 1.8(14) . . . . ?
C34 C35 C36 C37 -2.9(16) . . . . ?
C34 C33A C37A C37 1.0(14) . . . . ?
C33 C33A C37A C37 178.4(8) . . . . ?
C34 C33A C37A C31 -179.6(8) . . . . ?
C33 C33A C37A C31 -2.3(10) . . . . ?
C32 C31 C37A C37 -177.4(10) . . . . ?
C32 C31 C37A C33A 3.3(10) . . . . ?
C35 C36 C37 C37A 2.9(17) . . . . ?
C33A C37A C37 C36 -2.0(15) . . . . ?
C31 C37A C37 C36 178.8(10) . . . . ?
C33 P2 C41 C42 -51.2(7) . . . . ?
C44 P2 C41 C42 -165.3(7) . . . . ?
Ru2 P2 C41 C42 58.7(7) . . . . ?
C33 P2 C41 C43 72.8(9) . . . . ?
C44 P2 C41 C43 -41.2(9) . . . . ?
Ru2 P2 C41 C43 -177.2(6) . . . . ?
C33 P2 C44 C46 51.8(8) . . . . ?
C41 P2 C44 C46 163.7(7) . . . . ?
Ru2 P2 C44 C46 -61.6(7) . . . . ?
C33 P2 C44 C45 174.7(7) . . . . ?
C41 P2 C44 C45 -73.4(8) . . . . ?
Ru2 P2 C44 C45 61.3(8) . . . . ?
N2 Ru2 C50 C54 -59.3(6) . . . . ?
O2 Ru2 C50 C54 -146.0(5) . . . . ?
C51 Ru2 C50 C54 118.0(9) . . . . ?
C53 Ru2 C50 C54 38.2(6) . . . . ?
C52 Ru2 C50 C54 81.2(6) . . . . ?
P2 Ru2 C50 C54 136.5(6) . . . . ?
N2 Ru2 C50 C51 -177.3(6) . . . . ?
O2 Ru2 C50 C51 96.0(6) . . . . ?
C53 Ru2 C50 C51 -79.8(7) . . . . ?
C52 Ru2 C50 C51 -36.8(6) . . . . ?
C54 Ru2 C50 C51 -118.0(9) . . . . ?
P2 Ru2 C50 C51 18.5(10) . . . . ?
N2 Ru2 C50 C55 62.0(8) . . . . ?
O2 Ru2 C50 C55 -24.6(8) . . . . ?
C51 Ru2 C50 C55 -120.6(11) . . . . ?
C53 Ru2 C50 C55 159.6(10) . . . . ?
C52 Ru2 C50 C55 -157.4(10) . . . . ?
C54 Ru2 C50 C55 121.4(10) . . . . ?
P2 Ru2 C50 C55 -102.1(9) . . . . ?
C54 C50 C51 C52 2.1(10) . . . . ?
C55 C50 C51 C52 -179.8(9) . . . . ?
Ru2 C50 C51 C52 64.4(7) . . . . ?
C54 C50 C51 C56 174.9(8) . . . . ?
C55 C50 C51 C56 -7.1(14) . . . . ?
Ru2 C50 C51 C56 -122.8(9) . . . . ?
C54 C50 C51 Ru2 -62.3(6) . . . . ?
C55 C50 C51 Ru2 115.7(9) . . . . ?
N2 Ru2 C51 C52 -112.8(8) . . . . ?
O2 Ru2 C51 C52 154.6(6) . . . . ?
C50 Ru2 C51 C52 -117.2(9) . . . . ?
C53 Ru2 C51 C52 -37.1(6) . . . . ?
C54 Ru2 C51 C52 -80.7(7) . . . . ?
P2 Ru2 C51 C52 71.1(6) . . . . ?
N2 Ru2 C51 C50 4.5(10) . . . . ?
O2 Ru2 C51 C50 -88.2(6) . . . . ?
C53 Ru2 C51 C50 80.1(7) . . . . ?
C52 Ru2 C51 C50 117.2(9) . . . . ?
C54 Ru2 C51 C50 36.6(6) . . . . ?
P2 Ru2 C51 C50 -171.6(5) . . . . ?
N2 Ru2 C51 C56 119.3(9) . . . . ?
O2 Ru2 C51 C56 26.7(10) . . . . ?
C50 Ru2 C51 C56 114.9(12) . . . . ?
C53 Ru2 C51 C56 -165.0(11) . . . . ?
C52 Ru2 C51 C56 -127.9(12) . . . . ?
C54 Ru2 C51 C56 151.5(11) . . . . ?
P2 Ru2 C51 C56 -56.7(10) . . . . ?
C50 C51 C52 C53 -3.4(11) . . . . ?
C56 C51 C52 C53 -175.3(9) . . . . ?
Ru2 C51 C52 C53 60.1(7) . . . . ?
C50 C51 C52 C57 170.1(9) . . . . ?
C56 C51 C52 C57 -1.8(17) . . . . ?
Ru2 C51 C52 C57 -126.4(10) . . . . ?
C50 C51 C52 Ru2 -63.5(6) . . . . ?
C56 C51 C52 Ru2 124.6(10) . . . . ?
N2 Ru2 C52 C51 120.6(7) . . . . ?
O2 Ru2 C52 C51 -33.6(7) . . . . ?
C50 Ru2 C52 C51 38.3(6) . . . . ?
C53 Ru2 C52 C51 119.2(9) . . . . ?
C54 Ru2 C52 C51 80.0(6) . . . . ?
P2 Ru2 C52 C51 -122.0(6) . . . . ?
N2 Ru2 C52 C53 1.4(10) . . . . ?
O2 Ru2 C52 C53 -152.8(6) . . . . ?
C51 Ru2 C52 C53 -119.2(9) . . . . ?
C50 Ru2 C52 C53 -81.0(7) . . . . ?
C54 Ru2 C52 C53 -39.2(6) . . . . ?
P2 Ru2 C52 C53 118.8(6) . . . . ?
N2 Ru2 C52 C57 -119.0(11) . . . . ?
O2 Ru2 C52 C57 86.8(13) . . . . ?
C51 Ru2 C52 C57 120.4(15) . . . . ?
C50 Ru2 C52 C57 158.6(14) . . . . ?
C53 Ru2 C52 C57 -120.4(16) . . . . ?
C54 Ru2 C52 C57 -159.7(14) . . . . ?
P2 Ru2 C52 C57 -1.6(13) . . . . ?
C51 C52 C53 C54 3.3(11) . . . . ?
C57 C52 C53 C54 -170.2(9) . . . . ?
Ru2 C52 C53 C54 63.2(6) . . . . ?
C51 C52 C53 C58 172.9(9) . . . . ?
C57 C52 C53 C58 -0.6(16) . . . . ?
Ru2 C52 C53 C58 -127.3(10) . . . . ?
C51 C52 C53 Ru2 -59.8(7) . . . . ?
C57 C52 C53 Ru2 126.7(10) . . . . ?
N2 Ru2 C53 C52 -179.1(6) . . . . ?
O2 Ru2 C53 C52 67.6(13) . . . . ?
C51 Ru2 C53 C52 35.8(6) . . . . ?
C50 Ru2 C53 C52 78.7(7) . . . . ?
C54 Ru2 C53 C52 115.3(9) . . . . ?
P2 Ru2 C53 C52 -74.7(7) . . . . ?
N2 Ru2 C53 C54 65.6(6) . . . . ?
O2 Ru2 C53 C54 -47.7(13) . . . . ?
C51 Ru2 C53 C54 -79.5(6) . . . . ?
C50 Ru2 C53 C54 -36.6(5) . . . . ?
C52 Ru2 C53 C54 -115.3(9) . . . . ?
P2 Ru2 C53 C54 170.1(4) . . . . ?
N2 Ru2 C53 C58 -56.9(13) . . . . ?
O2 Ru2 C53 C58 -170.2(9) . . . . ?
C51 Ru2 C53 C58 158.0(14) . . . . ?
C50 Ru2 C53 C58 -159.1(14) . . . . ?
C52 Ru2 C53 C58 122.2(16) . . . . ?
C54 Ru2 C53 C58 -122.5(15) . . . . ?
P2 Ru2 C53 C58 47.6(13) . . . . ?
C51 C50 C54 C53 0.0(10) . . . . ?
C55 C50 C54 C53 -178.0(8) . . . . ?
Ru2 C50 C54 C53 -60.8(6) . . . . ?
C51 C50 C54 C59 -177.0(8) . . . . ?
C55 C50 C54 C59 5.0(15) . . . . ?
Ru2 C50 C54 C59 122.2(9) . . . . ?
C51 C50 C54 Ru2 60.8(6) . . . . ?
C55 C50 C54 Ru2 -117.2(9) . . . . ?
C52 C53 C54 C50 -2.0(10) . . . . ?
C58 C53 C54 C50 -171.5(9) . . . . ?
Ru2 C53 C54 C50 61.3(6) . . . . ?
C52 C53 C54 C59 175.1(8) . . . . ?
C58 C53 C54 C59 5.6(15) . . . . ?
Ru2 C53 C54 C59 -121.6(9) . . . . ?
C52 C53 C54 Ru2 -63.3(6) . . . . ?
C58 C53 C54 Ru2 127.2(10) . . . . ?
N2 Ru2 C54 C50 124.5(6) . . . . ?
O2 Ru2 C54 C50 42.4(6) . . . . ?
C51 Ru2 C54 C50 -37.7(6) . . . . ?
C53 Ru2 C54 C50 -117.7(8) . . . . ?
C52 Ru2 C54 C50 -79.1(6) . . . . ?
P2 Ru2 C54 C50 -139.0(6) . . . . ?
N2 Ru2 C54 C53 -117.8(6) . . . . ?
O2 Ru2 C54 C53 160.1(5) . . . . ?
C51 Ru2 C54 C53 80.0(6) . . . . ?
C50 Ru2 C54 C53 117.7(8) . . . . ?
C52 Ru2 C54 C53 38.7(6) . . . . ?
P2 Ru2 C54 C53 -21.3(9) . . . . ?
N2 Ru2 C54 C59 1.7(9) . . . . ?
O2 Ru2 C54 C59 -80.4(10) . . . . ?
C51 Ru2 C54 C59 -160.5(11) . . . . ?
C50 Ru2 C54 C59 -122.8(12) . . . . ?
C53 Ru2 C54 C59 119.5(12) . . . . ?
C52 Ru2 C54 C59 158.1(11) . . . . ?
P2 Ru2 C54 C59 98.2(10) . . . . ?
