#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:17:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179718 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/20/7002097.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_7002097
loop_
_publ_author_name
'Ledger, Araminta E. W.'
'Mahon, Mary F.'
'Whittlesey, Michael K.'
'Williams, Jonathan M. J.'
_publ_section_title
;
 [Ru(NHC)(xantphos)(CO)H2] complexes: intramolecular C--H activation
 and applications in C--C bond formation
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              6941
_journal_paper_doi               10.1039/b906010c
_journal_year                    2009
_chemical_formula_sum            'C58 H63 N2 O2 P2 Ru'
_chemical_formula_weight         983.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.1740(10)
_cell_angle_beta                 95.7910(10)
_cell_angle_gamma                114.2760(10)
_cell_formula_units_Z            2
_cell_length_a                   11.5450(2)
_cell_length_b                   12.4830(2)
_cell_length_c                   19.4880(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2432.16(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'Denzo & Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_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  0.0982
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49059
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.55
_exptl_absorpt_coefficient_mu    0.433
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Tabloid
_exptl_crystal_F_000             1030
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     600
_refine_ls_number_reflns         11115
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0484
_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)+(0.0211P)²+2.9743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                7952
_reflns_number_total             11115
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906010c.txt
_cod_data_source_block           k08mkw37
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' 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      P-1
_cod_database_code               7002097
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.83621(2) 0.45533(2) 0.192710(13) 0.01875(7) Uani 1 1 d D . .
P1 P 0.61109(8) 0.32814(7) 0.16771(4) 0.01938(17) Uani 1 1 d . . .
P2 P 0.89368(8) 0.47595(7) 0.31880(4) 0.01911(17) Uani 1 1 d . . .
O1 O 0.7871(2) 0.6790(2) 0.20683(13) 0.0346(6) Uani 1 1 d . . .
O2 O 0.68358(19) 0.23165(18) 0.27948(10) 0.0204(5) Uani 1 1 d . . .
N1 N 1.0768(2) 0.4478(2) 0.15852(13) 0.0227(6) Uani 1 1 d . . .
N2 N 1.1076(2) 0.6316(2) 0.16351(14) 0.0249(6) Uani 1 1 d . . .
C1 C 0.8091(3) 0.5951(3) 0.20508(16) 0.0223(7) Uani 1 1 d . . .
C2 C 1.0218(3) 0.5256(3) 0.17473(15) 0.0210(7) Uani 1 1 d . . .
C3 C 1.1913(3) 0.5015(3) 0.13629(18) 0.0298(8) Uani 1 1 d . . .
H3 H 1.2457 0.4645 0.1218 0.036 Uiso 1 1 calc R . .
C4 C 1.2107(3) 0.6162(3) 0.13927(19) 0.0319(8) Uani 1 1 d . . .
H4 H 1.2817 0.6759 0.1271 0.038 Uiso 1 1 calc R . .
C5 C 1.0155(3) 0.3312(3) 0.17689(17) 0.0221(7) Uani 1 1 d D . .
C6 C 0.8687(3) 0.2910(3) 0.15651(16) 0.0213(7) Uani 1 1 d D . .
C7 C 0.8188(3) 0.2241(3) 0.07514(16) 0.0258(7) Uani 1 1 d . . .
H7A H 0.7229 0.1913 0.0630 0.031 Uiso 1 1 calc R . .
H7B H 0.8557 0.2842 0.0482 0.031 Uiso 1 1 calc R . .
C8 C 0.8541(3) 0.1184(3) 0.05030(19) 0.0324(8) Uani 1 1 d . . .
H8A H 0.8171 0.0769 -0.0020 0.039 Uiso 1 1 calc R . .
H8B H 0.8174 0.0572 0.0765 0.039 Uiso 1 1 calc R . .
C9 C 1.0023(3) 0.1700(3) 0.06548(19) 0.0338(8) Uani 1 1 d . . .
H9A H 1.0262 0.1021 0.0501 0.041 Uiso 1 1 calc R . .
H9B H 1.0380 0.2281 0.0373 0.041 Uiso 1 1 calc R . .
C10 C 1.0607(3) 0.2359(3) 0.14522(18) 0.0304(8) Uani 1 1 d . . .
H10A H 1.1567 0.2771 0.1526 0.036 Uiso 1 1 calc R . .
H10B H 1.0379 0.1741 0.1720 0.036 Uiso 1 1 calc R . .
C11 C 1.0974(3) 0.7478(3) 0.18152(18) 0.0274(7) Uani 1 1 d . . .
H11 H 1.0289 0.7381 0.2105 0.033 Uiso 1 1 calc R . .
C12 C 1.2238(3) 0.8536(3) 0.22836(19) 0.0343(8) Uani 1 1 d . . .
H12A H 1.2473 0.8342 0.2727 0.041 Uiso 1 1 calc R . .
H12B H 1.2945 0.8644 0.2018 0.041 Uiso 1 1 calc R . .
C13 C 1.2105(4) 0.9719(3) 0.2489(2) 0.0392(9) Uani 1 1 d . . .
H13A H 1.2947 1.0402 0.2780 0.047 Uiso 1 1 calc R . .
H13B H 1.1446 0.9633 0.2788 0.047 Uiso 1 1 calc R . .
C14 C 1.1697(4) 1.0022(3) 0.1817(2) 0.0393(9) Uani 1 1 d . . .
H14A H 1.1585 1.0781 0.1962 0.047 Uiso 1 1 calc R . .
H14B H 1.2386 1.0171 0.1536 0.047 Uiso 1 1 calc R . .
C15 C 1.0423(4) 0.8962(3) 0.1349(2) 0.0405(9) Uani 1 1 d . . .
H15A H 1.0190 0.9157 0.0906 0.049 Uiso 1 1 calc R . .
H15B H 0.9719 0.8865 0.1616 0.049 Uiso 1 1 calc R . .
C16 C 1.0534(4) 0.7751(3) 0.11394(19) 0.0362(8) Uani 1 1 d . . .
H16A H 0.9679 0.7071 0.0864 0.043 Uiso 1 1 calc R . .
H16B H 1.1169 0.7814 0.0827 0.043 Uiso 1 1 calc R . .
C17 C 0.5597(3) 0.1637(3) 0.16007(16) 0.0205(6) Uani 1 1 d . . .
C18 C 0.4882(3) 0.0656(3) 0.09723(16) 0.0237(7) Uani 1 1 d . . .
H18 H 0.4491 0.0798 0.0571 0.028 Uiso 1 1 calc R . .
C19 C 0.4736(3) -0.0515(3) 0.09276(17) 0.0268(7) Uani 1 1 d . . .
H19 H 0.4245 -0.1168 0.0497 0.032 Uiso 1 1 calc R . .
C20 C 0.5296(3) -0.0749(3) 0.15024(17) 0.0261(7) Uani 1 1 d . . .
H20 H 0.5201 -0.1556 0.1458 0.031 Uiso 1 1 calc R . .
C21 C 0.5996(3) 0.0187(3) 0.21442(17) 0.0241(7) Uani 1 1 d . . .
C22 C 0.6634(3) 0.0023(3) 0.28179(17) 0.0269(7) Uani 1 1 d . . .
C23 C 0.7923(3) 0.1182(3) 0.31334(16) 0.0224(7) Uani 1 1 d . . .
C24 C 0.9075(3) 0.1221(3) 0.34639(17) 0.0274(7) Uani 1 1 d . . .
H24 H 0.9110 0.0478 0.3474 0.033 Uiso 1 1 calc R . .
C25 C 1.0176(3) 0.2343(3) 0.37796(17) 0.0279(7) Uani 1 1 d . . .
H25 H 1.0946 0.2358 0.4016 0.034 Uiso 1 1 calc R . .
C26 C 1.0161(3) 0.3440(3) 0.37524(16) 0.0240(7) Uani 1 1 d . . .
H26 H 1.0919 0.4197 0.3973 0.029 Uiso 1 1 calc R . .
C27 C 0.9042(3) 0.3441(3) 0.34031(15) 0.0203(6) Uani 1 1 d . . .
C28 C 0.7949(3) 0.2297(3) 0.31202(15) 0.0206(6) Uani 1 1 d . . .
C29 C 0.6120(3) 0.1351(3) 0.21700(16) 0.0207(6) Uani 1 1 d . . .
C30 C 0.6818(4) -0.1146(3) 0.2640(2) 0.0455(10) Uani 1 1 d . . .
H30A H 0.7367 -0.1112 0.2286 0.068 Uiso 1 1 calc R . .
H30B H 0.5967 -0.1865 0.2439 0.068 Uiso 1 1 calc R . .
H30C H 0.7237 -0.1211 0.3081 0.068 Uiso 1 1 calc R . .
C31 C 0.5755(3) -0.0041(3) 0.33730(18) 0.0373(9) Uani 1 1 d . . .
H31A H 0.6175 -0.0096 0.3817 0.056 Uiso 1 1 calc R . .
H31B H 0.4912 -0.0768 0.3171 0.056 Uiso 1 1 calc R . .
H31C H 0.5622 0.0701 0.3482 0.056 Uiso 1 1 calc R . .
C32 C 0.5153(3) 0.3160(3) 0.08116(15) 0.0212(7) Uani 1 1 d . . .
C33 C 0.5738(3) 0.3688(3) 0.03070(16) 0.0253(7) Uani 1 1 d . . .
H33 H 0.6661 0.4105 0.0395 0.030 Uiso 1 1 calc R . .
C34 C 0.4999(3) 0.3617(3) -0.03233(17) 0.0301(8) Uani 1 1 d . . .
H34 H 0.5421 0.3999 -0.0657 0.036 Uiso 1 1 calc R . .
C35 C 0.3663(3) 0.2999(3) -0.04711(18) 0.0333(8) Uani 1 1 d . . .
H35 H 0.3160 0.2946 -0.0906 0.040 Uiso 1 1 calc R . .
C36 C 0.3057(3) 0.2451(3) 0.00256(18) 0.0339(8) Uani 1 1 d . . .
H36 H 0.2135 0.2014 -0.0072 0.041 Uiso 1 1 calc R . .
C37 C 0.3796(3) 0.2541(3) 0.06624(17) 0.0286(7) Uani 1 1 d . . .
H37 H 0.3372 0.2177 0.1002 0.034 Uiso 1 1 calc R . .
C38 C 0.5107(3) 0.3679(3) 0.22709(16) 0.0211(7) Uani 1 1 d . . .
C39 C 0.4521(3) 0.3009(3) 0.27260(17) 0.0269(7) Uani 1 1 d . . .
H39 H 0.4642 0.2308 0.2746 0.032 Uiso 1 1 calc R . .
C40 C 0.3758(3) 0.3352(3) 0.31524(18) 0.0325(8) Uani 1 1 d . . .
H40 H 0.3369 0.2887 0.3462 0.039 Uiso 1 1 calc R . .
C41 C 0.3568(3) 0.4364(3) 0.31273(18) 0.0334(8) Uani 1 1 d . . .
H41 H 0.3037 0.4591 0.3412 0.040 Uiso 1 1 calc R . .
C42 C 0.4163(3) 0.5051(3) 0.26801(18) 0.0319(8) Uani 1 1 d . . .
H42 H 0.4046 0.5757 0.2666 0.038 Uiso 1 1 calc R . .
C43 C 0.4920(3) 0.4714(3) 0.22578(16) 0.0266(7) Uani 1 1 d . . .
H43 H 0.5318 0.5190 0.1955 0.032 Uiso 1 1 calc R . .
C44 C 1.0538(3) 0.5998(3) 0.37275(16) 0.0208(7) Uani 1 1 d . . .
C45 C 1.1649(3) 0.6224(3) 0.34373(17) 0.0270(7) Uani 1 1 d . . .
H45 H 1.1562 0.5760 0.2959 0.032 Uiso 1 1 calc R . .
C46 C 1.2872(3) 0.7109(3) 0.38350(18) 0.0294(8) Uani 1 1 d . . .
H46 H 1.3613 0.7240 0.3630 0.035 Uiso 1 1 calc R . .
C47 C 1.3017(3) 0.7803(3) 0.45295(18) 0.0316(8) Uani 1 1 d . . .
H47 H 1.3852 0.8417 0.4801 0.038 Uiso 1 1 calc R . .
C48 C 1.1929(3) 0.7593(3) 0.48242(18) 0.0326(8) Uani 1 1 d . . .
H48 H 1.2021 0.8064 0.5302 0.039 Uiso 1 1 calc R . .
C49 C 1.0707(3) 0.6701(3) 0.44289(17) 0.0277(7) Uani 1 1 d . . .
H49 H 0.9972 0.6568 0.4640 0.033 Uiso 1 1 calc R . .
C50 C 0.7893(3) 0.5061(3) 0.37793(15) 0.0217(7) Uani 1 1 d . . .
C51 C 0.7537(3) 0.4494(3) 0.43142(17) 0.0274(7) Uani 1 1 d . . .
H51 H 0.7788 0.3875 0.4361 0.033 Uiso 1 1 calc R . .
C52 C 0.6823(3) 0.4820(3) 0.47795(18) 0.0330(8) Uani 1 1 d . . .
H52 H 0.6580 0.4416 0.5137 0.040 Uiso 1 1 calc R . .
C53 C 0.6466(3) 0.5724(3) 0.47231(18) 0.0337(8) Uani 1 1 d . . .
H53 H 0.5998 0.5963 0.5050 0.040 Uiso 1 1 calc R . .
C54 C 0.6792(3) 0.6287(3) 0.41867(18) 0.0349(8) Uani 1 1 d . . .
H54 H 0.6533 0.6903 0.4142 0.042 Uiso 1 1 calc R . .
C55 C 0.7492(3) 0.5954(3) 0.37175(17) 0.0310(8) Uani 1 1 d . . .
H55 H 0.7702 0.6339 0.3349 0.037 Uiso 1 1 calc R . .
C56 C 1.2730(6) 1.0665(5) 0.4517(3) 0.0888(19) Uani 1 1 d . . .
H56A H 1.3008 1.0337 0.4093 0.133 Uiso 1 1 calc R . .
H56B H 1.3154 1.0573 0.4947 0.133 Uiso 1 1 calc R . .
H56C H 1.2975 1.1538 0.4582 0.133 Uiso 1 1 calc R . .
C57 C 1.1210(6) 0.9936(5) 0.4403(3) 0.0739(16) Uani 1 1 d . . .
H57A H 1.0781 1.0029 0.3970 0.089 Uiso 1 1 calc R . .
H57B H 1.0959 0.9050 0.4322 0.089 Uiso 1 1 calc R . .
C58 C 1.0758(5) 1.0408(5) 0.5053(3) 0.0774(16) Uani 1 1 d . . .
H58A H 1.0944 1.1276 0.5113 0.093 Uiso 1 1 calc R . .
H58B H 1.1231 1.0372 0.5493 0.093 Uiso 1 1 calc R . .
H5 H 1.047(3) 0.353(2) 0.2303(3) 0.014(7) Uiso 1 1 d D . .
H6 H 0.829(3) 0.228(2) 0.1816(14) 0.024(8) Uiso 1 1 d D . .
H1 H 0.808(4) 0.437(3) 0.1078(4) 0.047(11) Uiso 1 1 d 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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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 99.32(13) . . ?
C1 Ru1 C6 168.97(12) . . ?
C2 Ru1 C6 76.41(12) . . ?
C1 Ru1 P1 91.13(10) . . ?
C2 Ru1 P1 157.81(8) . . ?
C6 Ru1 P1 89.67(8) . . ?
C1 Ru1 P2 96.90(9) . . ?
C2 Ru1 P2 97.64(8) . . ?
C6 Ru1 P2 93.77(8) . . ?
P1 Ru1 P2 100.48(3) . . ?
C1 Ru1 H1 87.3(13) . . ?
C2 Ru1 H1 78.3(13) . . ?
C6 Ru1 H1 81.9(13) . . ?
P1 Ru1 H1 82.7(13) . . ?
P2 Ru1 H1 174.6(13) . . ?
C38 P1 C17 102.69(14) . . ?
C38 P1 C32 97.19(13) . . ?
C17 P1 C32 101.10(13) . . ?
C38 P1 Ru1 119.79(10) . . ?
C17 P1 Ru1 116.54(10) . . ?
C32 P1 Ru1 116.20(11) . . ?
C27 P2 C50 101.71(14) . . ?
C27 P2 C44 99.31(13) . . ?
C50 P2 C44 99.09(14) . . ?
C27 P2 Ru1 116.38(10) . . ?
C50 P2 Ru1 118.31(10) . . ?
C44 P2 Ru1 118.63(10) . . ?
C28 O2 C29 114.5(2) . . ?
C2 N1 C3 111.9(3) . . ?
C2 N1 C5 115.8(2) . . ?
C3 N1 C5 131.6(3) . . ?
C2 N2 C4 110.3(3) . . ?
C2 N2 C11 124.2(3) . . ?
C4 N2 C11 125.3(3) . . ?
O1 C1 Ru1 174.4(3) . . ?
N1 C2 N2 103.8(3) . . ?
N1 C2 Ru1 118.2(2) . . ?
N2 C2 Ru1 137.2(2) . . ?
C4 C3 N1 106.4(3) . . ?
C4 C3 H3 126.8 . . ?
N1 C3 H3 126.8 . . ?
C3 C4 N2 107.5(3) . . ?
C3 C4 H4 126.3 . . ?
N2 C4 H4 126.3 . . ?
N1 C5 C10 114.6(3) . . ?
N1 C5 C6 104.5(2) . . ?
C10 C5 C6 116.1(3) . . ?
N1 C5 H5 105.5(17) . . ?
C10 C5 H5 104.2(16) . . ?
C6 C5 H5 111.5(17) . . ?
C5 C6 C7 109.1(3) . . ?
C5 C6 Ru1 108.0(2) . . ?
C7 C6 Ru1 114.5(2) . . ?
C5 C6 H6 104.2(18) . . ?
C7 C6 H6 106.4(18) . . ?
Ru1 C6 H6 114.1(18) . . ?
C8 C7 C6 113.4(3) . . ?
C8 C7 H7A 108.9 . . ?
C6 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 C9 108.9(3) . . ?
C7 C8 H8A 109.9 . . ?
C9 C8 H8A 109.9 . . ?
C7 C8 H8B 109.9 . . ?
C9 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
C10 C9 C8 110.6(3) . . ?
C10 C9 H9A 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C9 C10 C5 114.0(3) . . ?
C9 C10 H10A 108.8 . . ?
C5 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
C5 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N2 C11 C12 111.3(3) . . ?
N2 C11 C16 111.5(3) . . ?
C12 C11 C16 111.7(3) . . ?
N2 C11 H11 107.3 . . ?
C12 C11 H11 107.3 . . ?
C16 C11 H11 107.3 . . ?
C13 C12 C11 110.8(3) . . ?
C13 C12 H12A 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
C12 C13 C14 110.8(3) . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C15 C14 C13 110.3(3) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 111.4(3) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C11 C16 C15 110.1(3) . . ?
C11 C16 H16A 109.6 . . ?
C15 C16 H16A 109.6 . . ?
C11 C16 H16B 109.6 . . ?
C15 C16 H16B 109.6 . . ?
H16A C16 H16B 108.2 . . ?
C29 C17 C18 116.1(3) . . ?
C29 C17 P1 118.1(2) . . ?
C18 C17 P1 125.1(2) . . ?
C19 C18 C17 120.9(3) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C19 C20 C21 120.6(3) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C29 C21 C20 116.9(3) . . ?
C29 C21 C22 118.2(3) . . ?
C20 C21 C22 124.9(3) . . ?
C23 C22 C30 112.3(3) . . ?
C23 C22 C21 106.1(3) . . ?
C30 C22 C21 112.0(3) . . ?
C23 C22 C31 108.6(3) . . ?
C30 C22 C31 109.3(3) . . ?
C21 C22 C31 108.6(3) . . ?
C28 C23 C24 116.8(3) . . ?
C28 C23 C22 117.8(3) . . ?
C24 C23 C22 125.3(3) . . ?
C25 C24 C23 120.5(3) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 120.8(3) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 120.7(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 116.3(3) . . ?
C28 C27 P2 117.2(2) . . ?
C26 C27 P2 126.1(2) . . ?
O2 C28 C23 119.5(3) . . ?
O2 C28 C27 115.7(3) . . ?
C23 C28 C27 124.8(3) . . ?
C21 C29 O2 118.8(3) . . ?
C21 C29 C17 124.6(3) . . ?
O2 C29 C17 116.6(3) . . ?
C22 C30 H30A 109.5 . . ?
C22 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C22 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C22 C31 H31A 109.5 . . ?
C22 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C22 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C37 118.0(3) . . ?
C33 C32 P1 122.3(2) . . ?
C37 C32 P1 119.7(2) . . ?
C32 C33 C34 121.1(3) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C35 C34 C33 120.8(3) . . ?
C35 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C34 C35 C36 119.0(3) . . ?
C34 C35 H35 120.5 . . ?
C36 C35 H35 120.5 . . ?
C37 C36 C35 120.3(3) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C32 120.9(3) . . ?
C36 C37 H37 119.6 . . ?
C32 C37 H37 119.6 . . ?
C39 C38 C43 118.2(3) . . ?
C39 C38 P1 124.0(2) . . ?
C43 C38 P1 117.8(2) . . ?
C38 C39 C40 120.9(3) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C41 C40 C39 120.3(3) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 119.3(3) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C43 C42 C41 120.5(3) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C42 C43 C38 120.8(3) . . ?
C42 C43 H43 119.6 . . ?
C38 C43 H43 119.6 . . ?
C49 C44 C45 117.6(3) . . ?
C49 C44 P2 122.8(2) . . ?
C45 C44 P2 119.6(2) . . ?
C46 C45 C44 121.3(3) . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C47 C46 C45 120.2(3) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C46 C47 C48 119.2(3) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
C47 C48 C49 120.7(3) . . ?
C47 C48 H48 119.7 . . ?
C49 C48 H48 119.7 . . ?
C48 C49 C44 121.1(3) . . ?
C48 C49 H49 119.5 . . ?
C44 C49 H49 119.5 . . ?
C51 C50 C55 118.0(3) . . ?
C51 C50 P2 123.5(2) . . ?
C55 C50 P2 118.4(2) . . ?
C52 C51 C50 121.1(3) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C53 C52 C51 120.1(3) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 119.7(3) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C55 C54 C53 120.2(3) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C54 C55 C50 120.8(3) . . ?
C54 C55 H55 119.6 . . ?
C50 C55 H55 119.6 . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C56 110.6(4) . . ?
C58 C57 H57A 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 108.1 . . ?
C57 C58 C58 109.4(6) . 2_776 ?
C57 C58 H58A 109.8 . . ?
C58 C58 H58A 109.8 2_776 . ?
C57 C58 H58B 109.8 . . ?
C58 C58 H58B 109.8 2_776 . ?
H58A C58 H58B 108.2 . . ?
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
Ru1 C1 1.864(3) . ?
Ru1 C2 2.057(3) . ?
Ru1 C6 2.207(3) . ?
Ru1 P1 2.3477(8) . ?
Ru1 P2 2.4055(8) . ?
Ru1 H1 1.600(3) . ?
P1 C38 1.847(3) . ?
P1 C17 1.851(3) . ?
P1 C32 1.860(3) . ?
P2 C27 1.836(3) . ?
P2 C50 1.838(3) . ?
P2 C44 1.852(3) . ?
O1 C1 1.169(4) . ?
O2 C28 1.386(3) . ?
O2 C29 1.389(3) . ?
N1 C2 1.361(4) . ?
N1 C3 1.380(4) . ?
N1 C5 1.479(4) . ?
N2 C2 1.370(4) . ?
N2 C4 1.392(4) . ?
N2 C11 1.469(4) . ?
C3 C4 1.341(5) . ?
C3 H3 0.9500 . ?
C4 H4 0.9500 . ?
C5 C10 1.520(4) . ?
C5 C6 1.535(4) . ?
C5 H5 1.000(3) . ?
C6 C7 1.536(4) . ?
C6 H6 1.00(3) . ?
C7 C8 1.527(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.528(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.515(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.518(4) . ?
C11 C16 1.524(5) . ?
C11 H11 1.0000 . ?
C12 C13 1.515(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.524(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.535(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C29 1.395(4) . ?
C17 C18 1.401(4) . ?
C18 C19 1.382(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.384(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(4) . ?
C20 H20 0.9500 . ?
C21 C29 1.388(4) . ?
C21 C22 1.536(4) . ?
C22 C23 1.525(4) . ?
C22 C30 1.528(5) . ?
C22 C31 1.549(5) . ?
C23 C28 1.386(4) . ?
C23 C24 1.395(4) . ?
C24 C25 1.393(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.399(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.398(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.386(4) . ?
C32 C37 1.396(4) . ?
C33 C34 1.386(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.374(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.392(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.387(4) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.392(4) . ?
C38 C43 1.400(4) . ?
C39 C40 1.394(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.381(5) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C49 1.391(4) . ?
C44 C45 1.402(4) . ?
C45 C46 1.386(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.382(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.385(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.386(4) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.392(4) . ?
C50 C55 1.395(4) . ?
C51 C52 1.388(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.373(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.388(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.384(5) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.573(8) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.506(7) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C58 1.584(11) 2_776 ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
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
C1 Ru1 P1 C38 -47.58(15) . . . . ?
C2 Ru1 P1 C38 -166.1(2) . . . . ?
C6 Ru1 P1 C38 143.42(14) . . . . ?
P2 Ru1 P1 C38 49.65(12) . . . . ?
C1 Ru1 P1 C17 -172.26(14) . . . . ?
C2 Ru1 P1 C17 69.2(2) . . . . ?
C6 Ru1 P1 C17 18.74(13) . . . . ?
P2 Ru1 P1 C17 -75.03(11) . . . . ?
C1 Ru1 P1 C32 68.68(14) . . . . ?
C2 Ru1 P1 C32 -49.8(3) . . . . ?
C6 Ru1 P1 C32 -100.32(13) . . . . ?
P2 Ru1 P1 C32 165.91(11) . . . . ?
C1 Ru1 P2 C27 169.56(15) . . . . ?
C2 Ru1 P2 C27 -90.03(14) . . . . ?
C6 Ru1 P2 C27 -13.25(14) . . . . ?
P1 Ru1 P2 C27 77.11(12) . . . . ?
C1 Ru1 P2 C50 47.93(15) . . . . ?
C2 Ru1 P2 C50 148.34(14) . . . . ?
C6 Ru1 P2 C50 -134.88(14) . . . . ?
P1 Ru1 P2 C50 -44.52(12) . . . . ?
C1 Ru1 P2 C44 -71.98(15) . . . . ?
C2 Ru1 P2 C44 28.44(14) . . . . ?
C6 Ru1 P2 C44 105.21(14) . . . . ?
P1 Ru1 P2 C44 -164.42(11) . . . . ?
C2 Ru1 C1 O1 95(3) . . . . ?
C6 Ru1 C1 O1 29(3) . . . . ?
P1 Ru1 C1 O1 -65(3) . . . . ?
P2 Ru1 C1 O1 -166(3) . . . . ?
C3 N1 C2 N2 -1.3(3) . . . . ?
C5 N1 C2 N2 170.7(2) . . . . ?
C3 N1 C2 Ru1 170.1(2) . . . . ?
C5 N1 C2 Ru1 -17.9(3) . . . . ?
C4 N2 C2 N1 1.4(3) . . . . ?
C11 N2 C2 N1 -173.1(3) . . . . ?
C4 N2 C2 Ru1 -167.4(3) . . . . ?
C11 N2 C2 Ru1 18.1(5) . . . . ?
C1 Ru1 C2 N1 -176.2(2) . . . . ?
C6 Ru1 C2 N1 -6.5(2) . . . . ?
P1 Ru1 C2 N1 -59.1(3) . . . . ?
P2 Ru1 C2 N1 85.5(2) . . . . ?
C1 Ru1 C2 N2 -8.5(3) . . . . ?
C6 Ru1 C2 N2 161.1(3) . . . . ?
P1 Ru1 C2 N2 108.6(3) . . . . ?
P2 Ru1 C2 N2 -106.8(3) . . . . ?
C2 N1 C3 C4 0.8(4) . . . . ?
C5 N1 C3 C4 -169.6(3) . . . . ?
N1 C3 C4 N2 0.1(4) . . . . ?
C2 N2 C4 C3 -1.0(4) . . . . ?
C11 N2 C4 C3 173.4(3) . . . . ?
C2 N1 C5 C10 168.5(3) . . . . ?
C3 N1 C5 C10 -21.4(4) . . . . ?
C2 N1 C5 C6 40.3(3) . . . . ?
C3 N1 C5 C6 -149.7(3) . . . . ?
N1 C5 C6 C7 82.6(3) . . . . ?
C10 C5 C6 C7 -44.8(4) . . . . ?
N1 C5 C6 Ru1 -42.4(3) . . . . ?
C10 C5 C6 Ru1 -169.8(2) . . . . ?
C1 Ru1 C6 C5 96.0(7) . . . . ?
C2 Ru1 C6 C5 27.64(19) . . . . ?
P1 Ru1 C6 C5 -169.80(19) . . . . ?
P2 Ru1 C6 C5 -69.32(19) . . . . ?
C1 Ru1 C6 C7 -25.8(8) . . . . ?
C2 Ru1 C6 C7 -94.1(2) . . . . ?
P1 Ru1 C6 C7 68.4(2) . . . . ?
P2 Ru1 C6 C7 168.9(2) . . . . ?
C5 C6 C7 C8 53.2(4) . . . . ?
Ru1 C6 C7 C8 174.4(2) . . . . ?
C6 C7 C8 C9 -61.5(4) . . . . ?
C7 C8 C9 C10 58.5(4) . . . . ?
C8 C9 C10 C5 -51.6(4) . . . . ?
N1 C5 C10 C9 -76.4(4) . . . . ?
C6 C5 C10 C9 45.8(4) . . . . ?
C2 N2 C11 C12 127.1(3) . . . . ?
C4 N2 C11 C12 -46.5(4) . . . . ?
C2 N2 C11 C16 -107.3(3) . . . . ?
C4 N2 C11 C16 79.0(4) . . . . ?
N2 C11 C12 C13 -177.8(3) . . . . ?
C16 C11 C12 C13 56.7(4) . . . . ?
C11 C12 C13 C14 -57.2(4) . . . . ?
C12 C13 C14 C15 57.3(4) . . . . ?
C13 C14 C15 C16 -56.7(4) . . . . ?
N2 C11 C16 C15 179.3(3) . . . . ?
C12 C11 C16 C15 -55.4(4) . . . . ?
C14 C15 C16 C11 55.5(4) . . . . ?
C38 P1 C17 C29 -79.4(3) . . . . ?
C32 P1 C17 C29 -179.5(2) . . . . ?
Ru1 P1 C17 C29 53.6(3) . . . . ?
C38 P1 C17 C18 111.0(3) . . . . ?
C32 P1 C17 C18 11.0(3) . . . . ?
Ru1 P1 C17 C18 -116.0(3) . . . . ?
C29 C17 C18 C19 -1.1(4) . . . . ?
P1 C17 C18 C19 168.6(2) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C19 C20 C21 1.3(5) . . . . ?
C19 C20 C21 C29 -1.2(5) . . . . ?
C19 C20 C21 C22 178.8(3) . . . . ?
C29 C21 C22 C23 -38.1(4) . . . . ?
C20 C21 C22 C23 141.9(3) . . . . ?
C29 C21 C22 C30 -160.9(3) . . . . ?
C20 C21 C22 C30 19.2(5) . . . . ?
C29 C21 C22 C31 78.4(4) . . . . ?
C20 C21 C22 C31 -101.5(4) . . . . ?
C30 C22 C23 C28 161.4(3) . . . . ?
C21 C22 C23 C28 38.8(4) . . . . ?
C31 C22 C23 C28 -77.7(3) . . . . ?
C30 C22 C23 C24 -21.5(5) . . . . ?
C21 C22 C23 C24 -144.1(3) . . . . ?
C31 C22 C23 C24 99.4(4) . . . . ?
C28 C23 C24 C25 1.7(5) . . . . ?
C22 C23 C24 C25 -175.5(3) . . . . ?
C23 C24 C25 C26 -2.0(5) . . . . ?
C24 C25 C26 C27 -0.4(5) . . . . ?
C25 C26 C27 C28 2.8(5) . . . . ?
C25 C26 C27 P2 -169.3(2) . . . . ?
C50 P2 C27 C28 75.1(3) . . . . ?
C44 P2 C27 C28 176.4(2) . . . . ?
Ru1 P2 C27 C28 -55.0(3) . . . . ?
C50 P2 C27 C26 -112.9(3) . . . . ?
C44 P2 C27 C26 -11.5(3) . . . . ?
Ru1 P2 C27 C26 117.0(3) . . . . ?
C29 O2 C28 C23 -38.3(4) . . . . ?
C29 O2 C28 C27 140.5(3) . . . . ?
C24 C23 C28 O2 179.6(3) . . . . ?
C22 C23 C28 O2 -3.0(4) . . . . ?
C24 C23 C28 C27 0.9(5) . . . . ?
C22 C23 C28 C27 178.3(3) . . . . ?
C26 C27 C28 O2 178.1(3) . . . . ?
P2 C27 C28 O2 -9.0(4) . . . . ?
C26 C27 C28 C23 -3.2(5) . . . . ?
P2 C27 C28 C23 169.6(2) . . . . ?
C20 C21 C29 O2 -178.6(3) . . . . ?
C22 C21 C29 O2 1.5(4) . . . . ?
C20 C21 C29 C17 -0.2(5) . . . . ?
C22 C21 C29 C17 179.8(3) . . . . ?
C28 O2 C29 C21 38.9(4) . . . . ?
C28 O2 C29 C17 -139.6(3) . . . . ?
C18 C17 C29 C21 1.3(5) . . . . ?
P1 C17 C29 C21 -169.2(3) . . . . ?
C18 C17 C29 O2 179.7(3) . . . . ?
P1 C17 C29 O2 9.2(4) . . . . ?
C38 P1 C32 C33 134.4(3) . . . . ?
C17 P1 C32 C33 -121.1(3) . . . . ?
Ru1 P1 C32 C33 6.1(3) . . . . ?
C38 P1 C32 C37 -44.2(3) . . . . ?
C17 P1 C32 C37 60.3(3) . . . . ?
Ru1 P1 C32 C37 -172.5(2) . . . . ?
C37 C32 C33 C34 0.7(5) . . . . ?
P1 C32 C33 C34 -177.9(2) . . . . ?
C32 C33 C34 C35 -1.2(5) . . . . ?
C33 C34 C35 C36 0.6(5) . . . . ?
C34 C35 C36 C37 0.6(5) . . . . ?
C35 C36 C37 C32 -1.1(5) . . . . ?
C33 C32 C37 C36 0.5(5) . . . . ?
P1 C32 C37 C36 179.1(3) . . . . ?
C17 P1 C38 C39 20.2(3) . . . . ?
C32 P1 C38 C39 123.3(3) . . . . ?
Ru1 P1 C38 C39 -110.9(2) . . . . ?
C17 P1 C38 C43 -159.4(2) . . . . ?
C32 P1 C38 C43 -56.3(3) . . . . ?
Ru1 P1 C38 C43 69.5(2) . . . . ?
C43 C38 C39 C40 0.6(5) . . . . ?
P1 C38 C39 C40 -179.0(2) . . . . ?
C38 C39 C40 C41 0.3(5) . . . . ?
C39 C40 C41 C42 -1.0(5) . . . . ?
C40 C41 C42 C43 0.9(5) . . . . ?
C41 C42 C43 C38 -0.1(5) . . . . ?
C39 C38 C43 C42 -0.7(5) . . . . ?
P1 C38 C43 C42 179.0(2) . . . . ?
C27 P2 C44 C49 -93.6(3) . . . . ?
C50 P2 C44 C49 10.0(3) . . . . ?
Ru1 P2 C44 C49 139.4(2) . . . . ?
C27 P2 C44 C45 84.0(3) . . . . ?
C50 P2 C44 C45 -172.4(2) . . . . ?
Ru1 P2 C44 C45 -43.0(3) . . . . ?
C49 C44 C45 C46 0.3(5) . . . . ?
P2 C44 C45 C46 -177.4(2) . . . . ?
C44 C45 C46 C47 -0.7(5) . . . . ?
C45 C46 C47 C48 0.7(5) . . . . ?
C46 C47 C48 C49 -0.2(5) . . . . ?
C47 C48 C49 C44 -0.2(5) . . . . ?
C45 C44 C49 C48 0.1(5) . . . . ?
P2 C44 C49 C48 177.8(3) . . . . ?
C27 P2 C50 C51 9.4(3) . . . . ?
C44 P2 C50 C51 -92.2(3) . . . . ?
Ru1 P2 C50 C51 138.2(2) . . . . ?
C27 P2 C50 C55 -174.3(2) . . . . ?
C44 P2 C50 C55 84.1(3) . . . . ?
Ru1 P2 C50 C55 -45.5(3) . . . . ?
C55 C50 C51 C52 -0.9(5) . . . . ?
P2 C50 C51 C52 175.4(2) . . . . ?
C50 C51 C52 C53 -0.7(5) . . . . ?
C51 C52 C53 C54 1.8(5) . . . . ?
C52 C53 C54 C55 -1.1(5) . . . . ?
C53 C54 C55 C50 -0.7(5) . . . . ?
C51 C50 C55 C54 1.6(5) . . . . ?
P2 C50 C55 C54 -174.9(3) . . . . ?
C56 C57 C58 C58 -175.7(5) . . . 2_776 ?
