#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:09:40 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261647 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/57/7705747.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_7705747
loop_
_publ_author_name
'Graminha, Angelica E.'
'Honorato, João'
'Correa, Rodrigo S.'
'Cominetti, Marcia R.'
'Menezes, Antônio C S'
'Batista, Alzir A.'
_publ_section_title
;
 A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton
 and inhibits migration, invasion and adhesion of triple negative breast
 tumor cells.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              323
_journal_page_last               335
_journal_paper_doi               10.1039/d0dt03490h
_journal_volume                  50
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '4(C45 H41 N2 O2 P2 Ru), 4(F6 P), H2 O'
_chemical_formula_sum            'C90 H83 F12 N4 O4.5 P6 Ru2'
_chemical_formula_weight         1908.56
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_creation_date             2020-11-17T12:23:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2020-11-17 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                110.196(1)
_cell_angle_beta                 97.478(1)
_cell_angle_gamma                99.273(1)
_cell_formula_units_Z            2
_cell_length_a                   11.7551(2)
_cell_length_b                   17.4930(4)
_cell_length_c                   22.9633(4)
_cell_measurement_reflns_used    16723
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.242
_cell_measurement_theta_min      3.04
_cell_measurement_wavelength     0.71073
_cell_volume                     4284.88(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2008)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      -0.024683
_diffrn_orient_matrix_UB_12      0.044421
_diffrn_orient_matrix_UB_13      -0.013513
_diffrn_orient_matrix_UB_21      -0.056327
_diffrn_orient_matrix_UB_22      0.007299
_diffrn_orient_matrix_UB_23      0.029564
_diffrn_orient_matrix_UB_31      0.062922
_diffrn_orient_matrix_UB_32      0.043301
_diffrn_orient_matrix_UB_33      0.034447
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            72618
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.093
_diffrn_reflns_theta_min         3.017
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        P. Coppens, L. Leiserowitz, D Rabinovich, Acta Cryst.
        (1965), 18, 1035-1038
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1946
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.009
_refine_diff_density_min         -0.8
_refine_diff_density_rms         0.086
_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_constraints    0
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         16813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1201P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1815
_reflns_Friedel_coverage         0
_reflns_number_gt                11528
_reflns_number_total             16813
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03490h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7705747--7705748.cif.'
_cod_original_formula_sum        'C90 H83 F12 N4 O4.50 P6 Ru2'
_cod_database_code               7705747
_shelx_shelxl_version_number     2018/3
_publcif_funding_html
;
;
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2466(4) 0.3779(3) 0.6467(2) 0.0508(10) Uani 1 1 d . . . . .
C2 C 0.3613(4) 0.4106(3) 0.69218(19) 0.0500(10) Uani 1 1 d . . . . .
C3 C 0.4040(4) 0.3636(3) 0.7240(2) 0.0601(11) Uani 1 1 d . . . . .
H3 H 0.359314 0.311606 0.718193 0.072 Uiso 1 1 calc R U . . .
C4 C 0.5115(4) 0.3933(3) 0.7639(2) 0.0662(13) Uani 1 1 d . . . . .
H4 H 0.539902 0.361274 0.784925 0.079 Uiso 1 1 calc R U . . .
C5 C 0.5776(4) 0.4698(3) 0.7731(2) 0.0682(13) Uani 1 1 d . . . . .
H5 H 0.650474 0.489519 0.800595 0.082 Uiso 1 1 calc R U . . .
C6 C 0.5379(4) 0.5172(3) 0.7426(2) 0.0676(13) Uani 1 1 d . . . . .
H6 H 0.584008 0.56882 0.748699 0.081 Uiso 1 1 calc R U . . .
C7 C 0.4279(4) 0.4884(3) 0.7021(2) 0.0615(11) Uani 1 1 d . . . . .
H7 H 0.399607 0.521308 0.681791 0.074 Uiso 1 1 calc R U . . .
C8 C -0.0008(4) 0.4245(3) 0.6872(2) 0.0657(12) Uani 1 1 d . . . . .
H8 H 0.04088 0.39568 0.706351 0.079 Uiso 1 1 calc R U . . .
C9 C -0.0466(6) 0.4873(4) 0.7246(3) 0.0866(17) Uani 1 1 d . . . . .
H9 H -0.036073 0.500623 0.768052 0.104 Uiso 1 1 calc R U . . .
C10 C -0.1085(6) 0.5300(4) 0.6961(3) 0.0919(18) Uani 1 1 d . . . . .
H10 H -0.140632 0.57245 0.720339 0.11 Uiso 1 1 calc R U . . .
C11 C -0.1223(5) 0.5095(3) 0.6322(3) 0.0747(14) Uani 1 1 d . . . . .
H11 H -0.163771 0.538024 0.612563 0.09 Uiso 1 1 calc R U . . .
C12 C -0.0737(4) 0.4458(3) 0.5967(2) 0.0590(11) Uani 1 1 d . . . . .
C13 C -0.0826(4) 0.4189(3) 0.5279(2) 0.0558(11) Uani 1 1 d . . . . .
C14 C -0.1440(5) 0.4533(3) 0.4915(3) 0.0690(13) Uani 1 1 d . . . . .
H14 H -0.181391 0.495672 0.510625 0.083 Uiso 1 1 calc R U . . .
C15 C -0.1501(5) 0.4253(3) 0.4271(3) 0.0762(15) Uani 1 1 d . . . . .
H15 H -0.190218 0.448584 0.402278 0.091 Uiso 1 1 calc R U . . .
C16 C -0.0949(5) 0.3615(3) 0.4004(2) 0.0755(14) Uani 1 1 d . . . . .
H16 H -0.0984 0.340368 0.356916 0.091 Uiso 1 1 calc R U . . .
C17 C -0.0349(4) 0.3296(3) 0.4386(2) 0.0598(11) Uani 1 1 d . . . . .
H17 H 0.003066 0.287421 0.420004 0.072 Uiso 1 1 calc R U . . .
C18 C 0.2710(4) 0.8480(3) 1.0790(2) 0.0540(10) Uani 1 1 d . . . . .
C19 C 0.1815(4) 0.8831(4) 1.1133(2) 0.0678(13) Uani 1 1 d . . . . .
C20 C 0.2141(6) 0.9632(4) 1.1596(3) 0.0814(16) Uani 1 1 d . . . . .
H20 H 0.291869 0.992663 1.169659 0.098 Uiso 1 1 calc R U . . .
C21 C 0.1312(8) 0.9999(5) 1.1910(4) 0.107(2) Uani 1 1 d . . . . .
H21 H 0.15235 1.053664 1.221753 0.128 Uiso 1 1 calc R U . . .
C22 C 0.0167(8) 0.9539(7) 1.1750(4) 0.121(3) Uani 1 1 d . . . . .
H22 H -0.040174 0.978686 1.194138 0.145 Uiso 1 1 calc R U . . .
C23 C -0.0163(6) 0.8729(7) 1.1318(4) 0.116(3) Uani 1 1 d . . . . .
H23 H -0.092715 0.842179 1.124179 0.14 Uiso 1 1 calc R U . . .
C24 C 0.0670(5) 0.8376(5) 1.0997(3) 0.0930(18) Uani 1 1 d . . . . .
H24 H 0.045492 0.783678 1.069173 0.112 Uiso 1 1 calc R U . . .
C25 C 0.2309(4) 0.8453(3) 0.9351(2) 0.0623(12) Uani 1 1 d . . . . .
H25 H 0.174782 0.812986 0.947101 0.075 Uiso 1 1 calc R U . . .
C26 C 0.1941(5) 0.8876(3) 0.8982(3) 0.0759(14) Uani 1 1 d . . . . .
H26 H 0.114325 0.884444 0.886106 0.091 Uiso 1 1 calc R U . . .
C27 C 0.2753(5) 0.9344(4) 0.8794(3) 0.0796(15) Uani 1 1 d . . . . .
H27 H 0.251217 0.963491 0.854683 0.096 Uiso 1 1 calc R U . . .
C28 C 0.3953(5) 0.9381(3) 0.8977(2) 0.0720(14) Uani 1 1 d . . . . .
H28 H 0.452362 0.968249 0.884669 0.086 Uiso 1 1 calc R U . . .
C29 C 0.4260(4) 0.8950(3) 0.9359(2) 0.0540(10) Uani 1 1 d . . . . .
C30 C 0.5491(4) 0.8935(3) 0.9580(2) 0.0521(10) Uani 1 1 d . . . . .
C31 C 0.6428(5) 0.9354(3) 0.9429(2) 0.0684(13) Uani 1 1 d . . . . .
H31 H 0.629471 0.967158 0.918569 0.082 Uiso 1 1 calc R U . . .
C32 C 0.7568(5) 0.9311(3) 0.9634(3) 0.0782(15) Uani 1 1 d . . . . .
H32 H 0.820244 0.958637 0.952626 0.094 Uiso 1 1 calc R U . . .
C33 C 0.7733(4) 0.8843(3) 1.0005(2) 0.0689(13) Uani 1 1 d . . . . .
H33 H 0.848512 0.880227 1.015708 0.083 Uiso 1 1 calc R U . . .
C34 C 0.6755(4) 0.8438(3) 1.0143(2) 0.0569(11) Uani 1 1 d . . . . .
H34 H 0.687406 0.812781 1.039437 0.068 Uiso 1 1 calc R U . . .
C111 C -0.2386(4) 0.2637(3) 0.5502(2) 0.0517(10) Uani 1 1 d . . . . .
C112 C -0.3019(4) 0.2779(3) 0.5001(2) 0.0595(11) Uani 1 1 d . . . . .
H112 H -0.284992 0.257123 0.459884 0.071 Uiso 1 1 calc R U . . .
C113 C -0.3886(5) 0.3224(3) 0.5101(3) 0.0773(15) Uani 1 1 d . . . . .
H113 H -0.429586 0.331616 0.476612 0.093 Uiso 1 1 calc R U . . .
C114 C -0.4153(5) 0.3533(4) 0.5691(3) 0.0882(18) Uani 1 1 d . . . . .
H114 H -0.473239 0.38401 0.575658 0.106 Uiso 1 1 calc R U . . .
C115 C -0.3557(5) 0.3386(4) 0.6182(3) 0.0848(17) Uani 1 1 d . . . . .
H115 H -0.374612 0.358636 0.65807 0.102 Uiso 1 1 calc R U . . .
C116 C -0.2677(4) 0.2940(3) 0.6091(2) 0.0658(12) Uani 1 1 d . . . . .
H116 H -0.228069 0.284533 0.642853 0.079 Uiso 1 1 calc R U . . .
C121 C -0.1306(4) 0.1532(3) 0.5898(2) 0.0516(10) Uani 1 1 d . . . . .
C122 C -0.0522(4) 0.1728(3) 0.6455(2) 0.0592(11) Uani 1 1 d . . . . .
H122 H 0.015372 0.214729 0.656395 0.071 Uiso 1 1 calc R U . . .
C123 C -0.0730(5) 0.1303(3) 0.6861(2) 0.0707(13) Uani 1 1 d . . . . .
H123 H -0.019769 0.144153 0.723788 0.085 Uiso 1 1 calc R U . . .
C124 C -0.1719(5) 0.0682(3) 0.6700(3) 0.0696(13) Uani 1 1 d . . . . .
H124 H -0.18543 0.039823 0.696924 0.084 Uiso 1 1 calc R U . . .
C125 C -0.2516(4) 0.0474(3) 0.6144(3) 0.0662(12) Uani 1 1 d . . . . .
H125 H -0.318835 0.00538 0.604053 0.079 Uiso 1 1 calc R U . . .
C126 C -0.2316(4) 0.0888(3) 0.5740(2) 0.0607(11) Uani 1 1 d . . . . .
H126 H -0.284953 0.074092 0.536232 0.073 Uiso 1 1 calc R U . . .
C131 C -0.1661(4) 0.1365(3) 0.4585(2) 0.0550(10) Uani 1 1 d . . . . .
H13A H -0.251265 0.120819 0.451146 0.066 Uiso 1 1 calc R U . . .
H13B H -0.146494 0.163488 0.429532 0.066 Uiso 1 1 calc R U . . .
C132 C -0.1192(4) 0.0556(3) 0.4409(2) 0.0579(11) Uani 1 1 d . . . . .
H13C H -0.154188 0.02155 0.462324 0.07 Uiso 1 1 calc R U . . .
H13D H -0.145153 0.024425 0.395698 0.07 Uiso 1 1 calc R U . . .
C211 C 0.2751(4) 0.1890(3) 0.5302(2) 0.0560(10) Uani 1 1 d . . . . .
C212 C 0.3713(4) 0.1734(3) 0.5026(2) 0.0660(12) Uani 1 1 d . . . . .
H212 H 0.381968 0.187998 0.468073 0.079 Uiso 1 1 calc R U . . .
C213 C 0.4518(4) 0.1361(4) 0.5263(3) 0.0762(15) Uani 1 1 d . . . . .
H213 H 0.515507 0.125298 0.507043 0.091 Uiso 1 1 calc R U . . .
C214 C 0.4389(4) 0.1153(3) 0.5772(3) 0.0745(14) Uani 1 1 d . . . . .
H214 H 0.49375 0.090656 0.592756 0.089 Uiso 1 1 calc R U . . .
C215 C 0.3445(4) 0.1305(3) 0.6057(2) 0.0679(13) Uani 1 1 d . . . . .
H215 H 0.335659 0.116497 0.640612 0.081 Uiso 1 1 calc R U . . .
C216 C 0.2632(4) 0.1666(3) 0.5823(2) 0.0620(12) Uani 1 1 d . . . . .
H216 H 0.199168 0.176144 0.601554 0.074 Uiso 1 1 calc R U . . .
C221 C 0.2365(4) 0.2817(3) 0.4493(2) 0.0608(11) Uani 1 1 d . . . . .
C222 C 0.2968(4) 0.3640(3) 0.4793(3) 0.0705(13) Uani 1 1 d . . . . .
H222 H 0.298268 0.392249 0.522033 0.085 Uiso 1 1 calc R U . . .
C223 C 0.3557(5) 0.4049(4) 0.4455(3) 0.0866(17) Uani 1 1 d . . . . .
H223 H 0.396694 0.460109 0.466177 0.104 Uiso 1 1 calc R U . . .
C224 C 0.3541(6) 0.3652(5) 0.3829(4) 0.103(2) Uani 1 1 d . . . . .
H224 H 0.393233 0.392924 0.360669 0.123 Uiso 1 1 calc R U . . .
C225 C 0.2951(8) 0.2855(6) 0.3537(4) 0.128(3) Uani 1 1 d . . . . .
H225 H 0.292496 0.258037 0.310753 0.153 Uiso 1 1 calc R U . . .
C226 C 0.2383(8) 0.2437(5) 0.3864(3) 0.115(2) Uani 1 1 d . . . . .
H226 H 0.199995 0.187912 0.365109 0.138 Uiso 1 1 calc R U . . .
C231 C 0.0808(4) 0.1296(3) 0.4319(2) 0.0564(11) Uani 1 1 d . . . . .
H23A H 0.025717 0.140715 0.402144 0.068 Uiso 1 1 calc R U . . .
H23B H 0.137013 0.103385 0.409184 0.068 Uiso 1 1 calc R U . . .
C232 C 0.0131(4) 0.0686(3) 0.4574(2) 0.0596(11) Uani 1 1 d . . . . .
H23C H 0.034361 0.015055 0.440415 0.072 Uiso 1 1 calc R U . . .
H23D H 0.037839 0.089856 0.503094 0.072 Uiso 1 1 calc R U . . .
C311 C 0.3782(4) 0.6913(3) 0.8514(2) 0.0554(10) Uani 1 1 d . . . . .
C312 C 0.4676(5) 0.7208(3) 0.8254(2) 0.0646(12) Uani 1 1 d . . . . .
H312 H 0.545706 0.729481 0.844659 0.078 Uiso 1 1 calc R U . . .
C313 C 0.4409(6) 0.7373(4) 0.7706(3) 0.0813(16) Uani 1 1 d . . . . .
H313 H 0.500992 0.756861 0.753246 0.098 Uiso 1 1 calc R U . . .
C314 C 0.3262(6) 0.7247(4) 0.7425(3) 0.098(2) Uani 1 1 d . . . . .
H314 H 0.30891 0.736054 0.70606 0.117 Uiso 1 1 calc R U . . .
C315 C 0.2362(6) 0.6957(5) 0.7669(3) 0.103(2) Uani 1 1 d . . . . .
H315 H 0.158303 0.686752 0.747205 0.124 Uiso 1 1 calc R U . . .
C316 C 0.2641(5) 0.6795(4) 0.8228(2) 0.0734(14) Uani 1 1 d . . . . .
H316 H 0.203684 0.660548 0.840291 0.088 Uiso 1 1 calc R U . . .
C321 C 0.2975(4) 0.5791(3) 0.9077(2) 0.0528(10) Uani 1 1 d . . . . .
C322 C 0.2104(4) 0.5786(3) 0.9425(2) 0.0629(12) Uani 1 1 d . . . . .
H322 H 0.209636 0.626647 0.976472 0.076 Uiso 1 1 calc R U . . .
C323 C 0.1242(5) 0.5070(4) 0.9271(3) 0.0815(15) Uani 1 1 d . . . . .
H323 H 0.066538 0.506762 0.951212 0.098 Uiso 1 1 calc R U . . .
C324 C 0.1234(5) 0.4354(3) 0.8758(3) 0.0782(15) Uani 1 1 d . . . . .
H324 H 0.064858 0.387501 0.865392 0.094 Uiso 1 1 calc R U . . .
C325 C 0.2090(5) 0.4355(3) 0.8406(2) 0.0696(13) Uani 1 1 d . . . . .
H325 H 0.208622 0.387689 0.806187 0.084 Uiso 1 1 calc R U . . .
C326 C 0.2956(4) 0.5065(3) 0.8560(2) 0.0639(12) Uani 1 1 d . . . . .
H326 H 0.353455 0.506208 0.831945 0.077 Uiso 1 1 calc R U . . .
C331 C 0.5479(4) 0.6378(3) 0.9164(2) 0.0547(10) Uani 1 1 d . . . . .
H33A H 0.543559 0.608791 0.871448 0.066 Uiso 1 1 calc R U . . .
H33B H 0.611121 0.687102 0.930375 0.066 Uiso 1 1 calc R U . . .
C332 C 0.5846(4) 0.5811(3) 0.9498(2) 0.0620(12) Uani 1 1 d . . . . .
H33C H 0.520432 0.532635 0.937588 0.074 Uiso 1 1 calc R U . . .
H33D H 0.651279 0.56142 0.933927 0.074 Uiso 1 1 calc R U . . .
C411 C 0.3709(4) 0.7158(3) 1.1312(2) 0.0519(10) Uani 1 1 d . . . . .
C412 C 0.3682(5) 0.7790(3) 1.1869(2) 0.0711(13) Uani 1 1 d . . . . .
H412 H 0.420684 0.830325 1.199775 0.085 Uiso 1 1 calc R U . . .
C413 C 0.2883(6) 0.7668(4) 1.2241(3) 0.0870(17) Uani 1 1 d . . . . .
H413 H 0.288668 0.809482 1.262011 0.104 Uiso 1 1 calc R U . . .
C414 C 0.2096(5) 0.6929(4) 1.2054(3) 0.0877(17) Uani 1 1 d . . . . .
H414 H 0.155656 0.685361 1.230233 0.105 Uiso 1 1 calc R U . . .
C415 C 0.2094(5) 0.6297(4) 1.1502(3) 0.0807(16) Uani 1 1 d . . . . .
H415 H 0.156145 0.578762 1.137732 0.097 Uiso 1 1 calc R U . . .
C416 C 0.2893(4) 0.6416(3) 1.1123(2) 0.0650(12) Uani 1 1 d . . . . .
H416 H 0.287348 0.598986 1.074051 0.078 Uiso 1 1 calc R U . . .
C421 C 0.6074(4) 0.7935(3) 1.1448(2) 0.0535(10) Uani 1 1 d . . . . .
C422 C 0.6257(4) 0.8802(3) 1.1672(2) 0.0652(12) Uani 1 1 d . . . . .
H422 H 0.579215 0.905633 1.147033 0.078 Uiso 1 1 calc R U . . .
C423 C 0.7137(5) 0.9287(3) 1.2198(2) 0.0689(13) Uani 1 1 d . . . . .
H423 H 0.726061 0.986633 1.234882 0.083 Uiso 1 1 calc R U . . .
C424 C 0.7820(5) 0.8914(4) 1.2495(2) 0.0735(14) Uani 1 1 d . . . . .
H424 H 0.839484 0.924189 1.285225 0.088 Uiso 1 1 calc R U . . .
C425 C 0.7665(5) 0.8056(4) 1.2270(3) 0.0753(14) Uani 1 1 d . . . . .
H425 H 0.81479 0.780547 1.246534 0.09 Uiso 1 1 calc R U . . .
C426 C 0.6789(4) 0.7578(3) 1.1755(2) 0.0676(13) Uani 1 1 d . . . . .
H426 H 0.667195 0.699903 1.160921 0.081 Uiso 1 1 calc R U . . .
C431 C 0.5118(4) 0.6277(3) 1.0544(2) 0.0561(10) Uani 1 1 d . . . . .
H43A H 0.525635 0.611284 1.090445 0.067 Uiso 1 1 calc R U . . .
H43B H 0.442595 0.588673 1.025169 0.067 Uiso 1 1 calc R U . . .
C432 C 0.6174(4) 0.6184(3) 1.0213(2) 0.0596(11) Uani 1 1 d . . . . .
H43C H 0.669289 0.672969 1.034322 0.072 Uiso 1 1 calc R U . . .
H43D H 0.660971 0.583378 1.035658 0.072 Uiso 1 1 calc R U . . .
N1 N -0.0281(3) 0.3562(2) 0.50160(16) 0.0479(8) Uani 1 1 d . . . . .
N2 N -0.0137(3) 0.4033(2) 0.62481(17) 0.0544(9) Uani 1 1 d . . . . .
N3 N 0.5642(3) 0.8465(2) 0.99375(16) 0.0510(8) Uani 1 1 d . . . . .
N4 N 0.3453(3) 0.8492(2) 0.95420(16) 0.0517(8) Uani 1 1 d . . . . .
O1 O 0.2215(3) 0.41062(18) 0.60658(14) 0.0554(7) Uani 1 1 d . . . . .
O2 O 0.1735(2) 0.31464(17) 0.64590(13) 0.0531(7) Uani 1 1 d . . . . .
O1W O 0.8849(10) 1.1472(7) 1.3037(5) 0.134(4) Uani 0.5 1 d . . P . .
H1WA H 0.81657 1.14681 1.285977 0.201 Uiso 0.5 1 d R U P . .
H1WB H 0.92946 1.17166 1.286158 0.201 Uiso 0.5 1 d R U P . .
O3 O 0.3724(3) 0.89093(18) 1.08906(14) 0.0549(7) Uani 1 1 d . . . . .
O4 O 0.2450(3) 0.77288(19) 1.03741(14) 0.0563(7) Uani 1 1 d . . . . .
P1 P -0.11331(9) 0.21377(7) 0.53960(5) 0.0464(2) Uani 1 1 d . . . . .
P2 P 0.15888(10) 0.22846(7) 0.49464(5) 0.0504(3) Uani 1 1 d . . . . .
P3 P 0.40949(10) 0.67375(7) 0.92525(5) 0.0483(3) Uani 1 1 d . . . . .
P4 P 0.47871(10) 0.73150(7) 1.08206(5) 0.0481(3) Uani 1 1 d . . . . .
P5 P -0.10750(17) 0.69325(15) 0.88157(13) 0.1504(12) Uani 1 1 d . . . . .
P6 P 0.51304(15) 1.08280(11) 1.31638(8) 0.0862(5) Uani 1 1 d . . . . .
Ru1 Ru 0.05799(3) 0.31331(2) 0.56364(2) 0.04479(12) Uani 1 1 d . . . . .
Ru2 Ru 0.41116(3) 0.78873(2) 1.01098(2) 0.04578(12) Uani 1 1 d . . . . .
F1 F -0.0562(5) 0.7880(3) 0.9140(3) 0.191(3) Uani 1 1 d . . . . .
F2 F -0.1661(6) 0.6958(4) 0.9403(3) 0.197(3) Uani 1 1 d . . . . .
F3 F -0.2199(6) 0.7046(7) 0.8516(5) 0.299(6) Uani 1 1 d . . . . .
F4 F -0.0406(6) 0.6912(5) 0.8276(3) 0.245(4) Uani 1 1 d . . . . .
F5 F 0.0085(5) 0.6830(5) 0.9199(5) 0.257(4) Uani 1 1 d . . . . .
F6 F -0.1533(6) 0.5989(4) 0.8531(4) 0.268(5) Uani 1 1 d . . . . .
F7 F 0.5426(6) 1.1805(3) 1.3426(3) 0.176(2) Uani 1 1 d . . . . .
F8 F 0.5186(7) 1.0747(4) 1.2489(2) 0.210(3) Uani 1 1 d . . . . .
F9 F 0.6435(5) 1.0835(6) 1.3256(3) 0.237(4) Uani 1 1 d . . . . .
F10 F 0.4741(7) 0.9885(3) 1.2905(3) 0.191(3) Uani 1 1 d . . . . .
F11 F 0.3822(5) 1.0826(4) 1.3158(3) 0.198(3) Uani 1 1 d . . . . .
F12 F 0.5177(5) 1.0905(3) 1.3867(2) 0.159(2) Uani 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 0 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-5 -1 -5 0.215
5 1 4 0.294
-1 0 4 0.197
10 1 -10 0.189
1 -14 14 0.099
-1 13 -13 0.102
-1 7 -4 0.3
3 -7 -4 0.352
-3 7 4 0.246
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
O1 C1 O2 119.1(4) . . ?
O1 C1 C2 120.3(4) . . ?
O2 C1 C2 120.6(4) . . ?
O1 C1 Ru1 60.4(2) . . ?
O2 C1 Ru1 58.8(2) . . ?
C2 C1 Ru1 175.5(3) . . ?
C3 C2 C7 119.2(4) . . ?
C3 C2 C1 121.0(4) . . ?
C7 C2 C1 119.8(4) . . ?
C4 C3 C2 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 120.5(5) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C6 C5 C4 120.6(5) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 120.0(5) . . ?
C5 C6 H6 120 . . ?
C7 C6 H6 120 . . ?
C2 C7 C6 119.5(5) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
N2 C8 C9 122.7(5) . . ?
N2 C8 H8 118.6 . . ?
C9 C8 H8 118.6 . . ?
C8 C9 C10 118.6(5) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
C11 C10 C9 119.7(5) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
N2 C12 C11 120.8(5) . . ?
N2 C12 C13 115.1(4) . . ?
C11 C12 C13 124.1(4) . . ?
N1 C13 C14 121.6(4) . . ?
N1 C13 C12 115.6(4) . . ?
C14 C13 C12 122.8(4) . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 118.0(5) . . ?
C14 C15 H15 121 . . ?
C16 C15 H15 121 . . ?
C17 C16 C15 119.4(5) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
N1 C17 C16 123.4(5) . . ?
N1 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?
O3 C18 O4 118.7(4) . . ?
O3 C18 C19 120.8(4) . . ?
O4 C18 C19 120.5(4) . . ?
O3 C18 Ru2 61.4(2) . . ?
O4 C18 Ru2 57.5(2) . . ?
C19 C18 Ru2 174.3(3) . . ?
C24 C19 C20 120.1(5) . . ?
C24 C19 C18 121.1(5) . . ?
C20 C19 C18 118.8(5) . . ?
C19 C20 C21 120.6(7) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 118.0(7) . . ?
C22 C21 H21 121 . . ?
C20 C21 H21 121 . . ?
C23 C22 C21 122.4(7) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 118.9(7) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C19 C24 C23 119.8(7) . . ?
C19 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
N4 C25 C26 121.9(5) . . ?
N4 C25 H25 119 . . ?
C26 C25 H25 119 . . ?
C27 C26 C25 119.8(5) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 119.3(5) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C29 C28 C27 117.7(5) . . ?
C29 C28 H28 121.2 . . ?
C27 C28 H28 121.2 . . ?
N4 C29 C28 122.5(4) . . ?
N4 C29 C30 114.6(4) . . ?
C28 C29 C30 122.9(4) . . ?
N3 C30 C31 121.7(4) . . ?
N3 C30 C29 115.7(4) . . ?
C31 C30 C29 122.7(4) . . ?
C30 C31 C32 120.9(5) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C31 C32 C33 117.9(5) . . ?
C31 C32 H32 121.1 . . ?
C33 C32 H32 121.1 . . ?
C34 C33 C32 118.5(5) . . ?
C34 C33 H33 120.8 . . ?
C32 C33 H33 120.8 . . ?
N3 C34 C33 124.0(4) . . ?
N3 C34 H34 118 . . ?
C33 C34 H34 118 . . ?
C116 C111 C112 118.1(4) . . ?
C116 C111 P1 120.6(4) . . ?
C112 C111 P1 121.0(3) . . ?
C113 C112 C111 120.5(5) . . ?
C113 C112 H112 119.7 . . ?
C111 C112 H112 119.7 . . ?
C114 C113 C112 120.6(5) . . ?
C114 C113 H113 119.7 . . ?
C112 C113 H113 119.7 . . ?
C113 C114 C115 119.5(5) . . ?
C113 C114 H114 120.2 . . ?
C115 C114 H114 120.2 . . ?
C114 C115 C116 120.6(5) . . ?
C114 C115 H115 119.7 . . ?
C116 C115 H115 119.7 . . ?
C111 C116 C115 120.5(5) . . ?
C111 C116 H116 119.8 . . ?
C115 C116 H116 119.8 . . ?
C122 C121 C126 118.6(4) . . ?
C122 C121 P1 121.8(3) . . ?
C126 C121 P1 119.4(3) . . ?
C121 C122 C123 120.7(4) . . ?
C121 C122 H122 119.7 . . ?
C123 C122 H122 119.7 . . ?
C124 C123 C122 119.8(5) . . ?
C124 C123 H123 120.1 . . ?
C122 C123 H123 120.1 . . ?
C123 C124 C125 120.6(5) . . ?
C123 C124 H124 119.7 . . ?
C125 C124 H124 119.7 . . ?
C124 C125 C126 120.0(5) . . ?
C124 C125 H125 120 . . ?
C126 C125 H125 120 . . ?
C125 C126 C121 120.3(5) . . ?
C125 C126 H126 119.9 . . ?
C121 C126 H126 119.9 . . ?
C132 C131 P1 117.4(3) . . ?
C132 C131 H13A 108 . . ?
P1 C131 H13A 108 . . ?
C132 C131 H13B 108 . . ?
P1 C131 H13B 108 . . ?
H13A C131 H13B 107.2 . . ?
C232 C132 C131 115.0(4) . . ?
C232 C132 H13C 108.5 . . ?
C131 C132 H13C 108.5 . . ?
C232 C132 H13D 108.5 . . ?
C131 C132 H13D 108.5 . . ?
H13C C132 H13D 107.5 . . ?
C212 C211 C216 117.8(4) . . ?
C212 C211 P2 121.0(4) . . ?
C216 C211 P2 120.9(3) . . ?
C211 C212 C213 120.3(5) . . ?
C211 C212 H212 119.8 . . ?
C213 C212 H212 119.8 . . ?
C214 C213 C212 120.9(5) . . ?
C214 C213 H213 119.6 . . ?
C212 C213 H213 119.6 . . ?
C213 C214 C215 120.0(5) . . ?
C213 C214 H214 120 . . ?
C215 C214 H214 120 . . ?
C216 C215 C214 119.9(5) . . ?
C216 C215 H215 120 . . ?
C214 C215 H215 120 . . ?
C215 C216 C211 121.2(5) . . ?
C215 C216 H216 119.4 . . ?
C211 C216 H216 119.4 . . ?
C226 C221 C222 117.0(5) . . ?
C226 C221 P2 123.4(4) . . ?
C222 C221 P2 119.6(4) . . ?
C221 C222 C223 120.0(6) . . ?
C221 C222 H222 120 . . ?
C223 C222 H222 120 . . ?
C224 C223 C222 121.2(6) . . ?
C224 C223 H223 119.4 . . ?
C222 C223 H223 119.4 . . ?
C225 C224 C223 118.7(6) . . ?
C225 C224 H224 120.6 . . ?
C223 C224 H224 120.6 . . ?
C224 C225 C226 121.0(7) . . ?
C224 C225 H225 119.5 . . ?
C226 C225 H225 119.5 . . ?
C221 C226 C225 122.0(7) . . ?
C221 C226 H226 119 . . ?
C225 C226 H226 119 . . ?
C232 C231 P2 112.7(3) . . ?
C232 C231 H23A 109 . . ?
P2 C231 H23A 109 . . ?
C232 C231 H23B 109 . . ?
P2 C231 H23B 109 . . ?
H23A C231 H23B 107.8 . . ?
C132 C232 C231 114.0(4) . . ?
C132 C232 H23C 108.8 . . ?
C231 C232 H23C 108.8 . . ?
C132 C232 H23D 108.8 . . ?
C231 C232 H23D 108.8 . . ?
H23C C232 H23D 107.7 . . ?
C316 C311 C312 119.0(4) . . ?
C316 C311 P3 119.3(4) . . ?
C312 C311 P3 121.6(4) . . ?
C311 C312 C313 120.4(5) . . ?
C311 C312 H312 119.8 . . ?
C313 C312 H312 119.8 . . ?
C314 C313 C312 119.8(5) . . ?
C314 C313 H313 120.1 . . ?
C312 C313 H313 120.1 . . ?
C313 C314 C315 121.3(5) . . ?
C313 C314 H314 119.4 . . ?
C315 C314 H314 119.4 . . ?
C314 C315 C316 118.6(6) . . ?
C314 C315 H315 120.7 . . ?
C316 C315 H315 120.7 . . ?
C311 C316 C315 121.0(5) . . ?
C311 C316 H316 119.5 . . ?
C315 C316 H316 119.5 . . ?
C322 C321 C326 118.9(4) . . ?
C322 C321 P3 121.1(3) . . ?
C326 C321 P3 119.9(3) . . ?
C321 C322 C323 120.2(5) . . ?
C321 C322 H322 119.9 . . ?
C323 C322 H322 119.9 . . ?
C322 C323 C324 120.4(5) . . ?
C322 C323 H323 119.8 . . ?
C324 C323 H323 119.8 . . ?
C325 C324 C323 119.8(5) . . ?
C325 C324 H324 120.1 . . ?
C323 C324 H324 120.1 . . ?
C324 C325 C326 120.1(5) . . ?
C324 C325 H325 120 . . ?
C326 C325 H325 120 . . ?
C325 C326 C321 120.7(5) . . ?
C325 C326 H326 119.7 . . ?
C321 C326 H326 119.7 . . ?
C332 C331 P3 120.2(3) . . ?
C332 C331 H33A 107.3 . . ?
P3 C331 H33A 107.3 . . ?
C332 C331 H33B 107.3 . . ?
P3 C331 H33B 107.3 . . ?
H33A C331 H33B 106.9 . . ?
C432 C332 C331 117.2(4) . . ?
C432 C332 H33C 108 . . ?
C331 C332 H33C 108 . . ?
C432 C332 H33D 108 . . ?
C331 C332 H33D 108 . . ?
H33C C332 H33D 107.2 . . ?
C416 C411 C412 118.2(4) . . ?
C416 C411 P4 120.9(3) . . ?
C412 C411 P4 120.9(4) . . ?
C411 C412 C413 120.8(5) . . ?
C411 C412 H412 119.6 . . ?
C413 C412 H412 119.6 . . ?
C414 C413 C412 120.3(6) . . ?
C414 C413 H413 119.8 . . ?
C412 C413 H413 119.8 . . ?
C413 C414 C415 120.2(5) . . ?
C413 C414 H414 119.9 . . ?
C415 C414 H414 119.9 . . ?
C414 C415 C416 119.9(6) . . ?
C414 C415 H415 120.1 . . ?
C416 C415 H415 120.1 . . ?
C411 C416 C415 120.6(5) . . ?
C411 C416 H416 119.7 . . ?
C415 C416 H416 119.7 . . ?
C426 C421 C422 118.6(4) . . ?
C426 C421 P4 122.6(4) . . ?
C422 C421 P4 118.4(3) . . ?
C423 C422 C421 119.8(5) . . ?
C423 C422 H422 120.1 . . ?
C421 C422 H422 120.1 . . ?
C424 C423 C422 120.1(5) . . ?
C424 C423 H423 119.9 . . ?
C422 C423 H423 119.9 . . ?
C423 C424 C425 120.7(5) . . ?
C423 C424 H424 119.6 . . ?
C425 C424 H424 119.6 . . ?
C426 C425 C424 119.1(5) . . ?
C426 C425 H425 120.4 . . ?
C424 C425 H425 120.4 . . ?
C425 C426 C421 121.6(5) . . ?
C425 C426 H426 119.2 . . ?
C421 C426 H426 119.2 . . ?
C432 C431 P4 116.7(3) . . ?
C432 C431 H43A 108.1 . . ?
P4 C431 H43A 108.1 . . ?
C432 C431 H43B 108.1 . . ?
P4 C431 H43B 108.1 . . ?
H43A C431 H43B 107.3 . . ?
C332 C432 C431 114.3(4) . . ?
C332 C432 H43C 108.7 . . ?
C431 C432 H43C 108.7 . . ?
C332 C432 H43D 108.7 . . ?
C431 C432 H43D 108.7 . . ?
H43C C432 H43D 107.6 . . ?
C17 N1 C13 117.2(4) . . ?
C17 N1 Ru1 127.1(3) . . ?
C13 N1 Ru1 115.7(3) . . ?
C8 N2 C12 118.8(4) . . ?
C8 N2 Ru1 126.4(3) . . ?
C12 N2 Ru1 114.7(3) . . ?
C34 N3 C30 116.9(4) . . ?
C34 N3 Ru2 127.7(3) . . ?
C30 N3 Ru2 115.3(3) . . ?
C25 N4 C29 118.8(4) . . ?
C25 N4 Ru2 125.2(3) . . ?
C29 N4 Ru2 116.0(3) . . ?
C1 O1 Ru1 89.6(2) . . ?
C1 O2 Ru1 90.9(2) . . ?
H1WA O1W H1WB 102.7 . . ?
C18 O3 Ru2 88.9(3) . . ?
C18 O4 Ru2 91.7(3) . . ?
C121 P1 C111 100.3(2) . . ?
C121 P1 C131 104.5(2) . . ?
C111 P1 C131 100.6(2) . . ?
C121 P1 Ru1 118.34(15) . . ?
C111 P1 Ru1 110.14(14) . . ?
C131 P1 Ru1 119.91(16) . . ?
C231 P2 C211 97.9(2) . . ?
C231 P2 C221 101.4(2) . . ?
C211 P2 C221 103.1(2) . . ?
C231 P2 Ru1 121.09(15) . . ?
C211 P2 Ru1 117.42(15) . . ?
C221 P2 Ru1 113.15(15) . . ?
C321 P3 C311 100.6(2) . . ?
C321 P3 C331 104.9(2) . . ?
C311 P3 C331 99.6(2) . . ?
C321 P3 Ru2 118.39(15) . . ?
C311 P3 Ru2 111.79(15) . . ?
C331 P3 Ru2 118.58(15) . . ?
C431 P4 C421 102.5(2) . . ?
C431 P4 C411 99.9(2) . . ?
C421 P4 C411 99.7(2) . . ?
C431 P4 Ru2 120.86(15) . . ?
C421 P4 Ru2 117.97(15) . . ?
C411 P4 Ru2 112.47(14) . . ?
F3 P5 F6 90.2(5) . . ?
F3 P5 F1 93.0(5) . . ?
F6 P5 F1 176.2(6) . . ?
F3 P5 F4 97.3(6) . . ?
F6 P5 F4 92.0(4) . . ?
F1 P5 F4 89.4(4) . . ?
F3 P5 F2 87.3(5) . . ?
F6 P5 F2 88.8(4) . . ?
F1 P5 F2 89.5(3) . . ?
F4 P5 F2 175.3(5) . . ?
F3 P5 F5 174.5(6) . . ?
F6 P5 F5 90.6(5) . . ?
F1 P5 F5 85.9(4) . . ?
F4 P5 F5 88.1(5) . . ?
F2 P5 F5 87.3(5) . . ?
F10 P6 F8 86.7(3) . . ?
F10 P6 F9 94.6(5) . . ?
F8 P6 F9 86.8(4) . . ?
F10 P6 F11 85.6(4) . . ?
F8 P6 F11 100.6(4) . . ?
F9 P6 F11 172.7(4) . . ?
F10 P6 F7 175.4(4) . . ?
F8 P6 F7 93.7(3) . . ?
F9 P6 F7 90.0(5) . . ?
F11 P6 F7 89.9(4) . . ?
F10 P6 F12 93.2(3) . . ?
F8 P6 F12 175.5(4) . . ?
F9 P6 F12 88.7(4) . . ?
F11 P6 F12 83.9(4) . . ?
F7 P6 F12 86.7(3) . . ?
N1 Ru1 N2 78.84(14) . . ?
N1 Ru1 O2 159.87(12) . . ?
N2 Ru1 O2 88.42(13) . . ?
N1 Ru1 O1 102.24(12) . . ?
N2 Ru1 O1 82.71(13) . . ?
O2 Ru1 O1 60.31(11) . . ?
N1 Ru1 P1 86.14(10) . . ?
N2 Ru1 P1 91.12(11) . . ?
O2 Ru1 P1 109.84(8) . . ?
O1 Ru1 P1 168.35(8) . . ?
N1 Ru1 P2 98.91(10) . . ?
N2 Ru1 P2 171.62(11) . . ?
O2 Ru1 P2 91.44(8) . . ?
O1 Ru1 P2 89.94(8) . . ?
P1 Ru1 P2 96.81(4) . . ?
N1 Ru1 C1 131.79(14) . . ?
N2 Ru1 C1 85.68(14) . . ?
O2 Ru1 C1 30.30(12) . . ?
O1 Ru1 C1 30.03(12) . . ?
P1 Ru1 C1 139.97(10) . . ?
P2 Ru1 C1 89.97(10) . . ?
N3 Ru2 N4 78.32(14) . . ?
N3 Ru2 O4 159.80(13) . . ?
N4 Ru2 O4 88.60(13) . . ?
N3 Ru2 O3 102.51(12) . . ?
N4 Ru2 O3 84.28(12) . . ?
O4 Ru2 O3 60.46(11) . . ?
N3 Ru2 P3 87.93(10) . . ?
N4 Ru2 P3 92.19(10) . . ?
O4 Ru2 P3 108.09(9) . . ?
O3 Ru2 P3 168.00(9) . . ?
N3 Ru2 P4 103.47(10) . . ?
N4 Ru2 P4 174.30(10) . . ?
O4 Ru2 P4 88.18(8) . . ?
O3 Ru2 P4 90.04(8) . . ?
P3 Ru2 P4 93.28(4) . . ?
N3 Ru2 C18 131.01(15) . . ?
N4 Ru2 C18 84.34(14) . . ?
O4 Ru2 C18 30.81(13) . . ?
O3 Ru2 C18 29.72(13) . . ?
P3 Ru2 C18 138.59(12) . . ?
P4 Ru2 C18 90.50(10) . . ?
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
C1 O1 1.269(5) . ?
C1 O2 1.280(5) . ?
C1 C2 1.486(6) . ?
C1 Ru1 2.536(4) . ?
C2 C3 1.383(6) . ?
C2 C7 1.384(6) . ?
C3 C4 1.366(6) . ?
C3 H3 0.93 . ?
C4 C5 1.365(7) . ?
C4 H4 0.93 . ?
C5 C6 1.355(7) . ?
C5 H5 0.93 . ?
C6 C7 1.395(6) . ?
C6 H6 0.93 . ?
C7 H7 0.93 . ?
C8 N2 1.332(6) . ?
C8 C9 1.375(7) . ?
C8 H8 0.93 . ?
C9 C10 1.379(9) . ?
C9 H9 0.93 . ?
C10 C11 1.367(8) . ?
C10 H10 0.93 . ?
C11 C12 1.389(6) . ?
C11 H11 0.93 . ?
C12 N2 1.359(6) . ?
C12 C13 1.468(6) . ?
C13 N1 1.360(5) . ?
C13 C14 1.384(6) . ?
C14 C15 1.376(7) . ?
C14 H14 0.93 . ?
C15 C16 1.380(8) . ?
C15 H15 0.93 . ?
C16 C17 1.373(7) . ?
C16 H16 0.93 . ?
C17 N1 1.344(5) . ?
C17 H17 0.93 . ?
C18 O3 1.248(5) . ?
C18 O4 1.289(5) . ?
C18 C19 1.481(7) . ?
C18 Ru2 2.516(4) . ?
C19 C24 1.385(8) . ?
C19 C20 1.390(8) . ?
C20 C21 1.395(8) . ?
C20 H20 0.93 . ?
C21 C22 1.383(11) . ?
C21 H21 0.93 . ?
C22 C23 1.377(12) . ?
C22 H22 0.93 . ?
C23 C24 1.397(10) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
C25 N4 1.343(6) . ?
C25 C26 1.377(7) . ?
C25 H25 0.93 . ?
C26 C27 1.365(8) . ?
C26 H26 0.93 . ?
C27 C28 1.404(7) . ?
C27 H27 0.93 . ?
C28 C29 1.389(6) . ?
C28 H28 0.93 . ?
C29 N4 1.345(5) . ?
C29 C30 1.477(6) . ?
C30 N3 1.363(5) . ?
C30 C31 1.373(6) . ?
C31 C32 1.384(7) . ?
C31 H31 0.93 . ?
C32 C33 1.386(7) . ?
C32 H32 0.93 . ?
C33 C34 1.383(7) . ?
C33 H33 0.93 . ?
C34 N3 1.346(6) . ?
C34 H34 0.93 . ?
C111 C116 1.383(6) . ?
C111 C112 1.405(6) . ?
C111 P1 1.830(4) . ?
C112 C113 1.375(7) . ?
C112 H112 0.93 . ?
C113 C114 1.372(8) . ?
C113 H113 0.93 . ?
C114 C115 1.373(9) . ?
C114 H114 0.93 . ?
C115 C116 1.387(7) . ?
C115 H115 0.93 . ?
C116 H116 0.93 . ?
C121 C122 1.376(6) . ?
C121 C126 1.409(6) . ?
C121 P1 1.824(4) . ?
C122 C123 1.399(6) . ?
C122 H122 0.93 . ?
C123 C124 1.368(7) . ?
C123 H123 0.93 . ?
C124 C125 1.378(7) . ?
C124 H124 0.93 . ?
C125 C126 1.381(7) . ?
C125 H125 0.93 . ?
C126 H126 0.93 . ?
C131 C132 1.544(6) . ?
C131 P1 1.837(4) . ?
C131 H13A 0.97 . ?
C131 H13B 0.97 . ?
C132 C232 1.512(6) . ?
C132 H13C 0.97 . ?
C132 H13D 0.97 . ?
C211 C212 1.387(6) . ?
C211 C216 1.399(6) . ?
C211 P2 1.847(4) . ?
C212 C213 1.388(7) . ?
C212 H212 0.93 . ?
C213 C214 1.359(7) . ?
C213 H213 0.93 . ?
C214 C215 1.377(7) . ?
C214 H214 0.93 . ?
C215 C216 1.375(6) . ?
C215 H215 0.93 . ?
C216 H216 0.93 . ?
C221 C226 1.371(8) . ?
C221 C222 1.382(7) . ?
C221 P2 1.851(5) . ?
C222 C223 1.400(7) . ?
C222 H222 0.93 . ?
C223 C224 1.360(9) . ?
C223 H223 0.93 . ?
C224 C225 1.341(10) . ?
C224 H224 0.93 . ?
C225 C226 1.377(9) . ?
C225 H225 0.93 . ?
C226 H226 0.93 . ?
C231 C232 1.547(6) . ?
C231 P2 1.825(4) . ?
C231 H23A 0.97 . ?
C231 H23B 0.97 . ?
C232 H23C 0.97 . ?
C232 H23D 0.97 . ?
C311 C316 1.364(7) . ?
C311 C312 1.388(6) . ?
C311 P3 1.827(4) . ?
C312 C313 1.395(7) . ?
C312 H312 0.93 . ?
C313 C314 1.364(8) . ?
C313 H313 0.93 . ?
C314 C315 1.366(9) . ?
C314 H314 0.93 . ?
C315 C316 1.417(7) . ?
C315 H315 0.93 . ?
C316 H316 0.93 . ?
C321 C322 1.379(6) . ?
C321 C326 1.402(6) . ?
C321 P3 1.827(4) . ?
C322 C323 1.383(7) . ?
C322 H322 0.93 . ?
C323 C324 1.390(8) . ?
C323 H323 0.93 . ?
C324 C325 1.372(7) . ?
C324 H324 0.93 . ?
C325 C326 1.377(7) . ?
C325 H325 0.93 . ?
C326 H326 0.93 . ?
C331 C332 1.528(6) . ?
C331 P3 1.847(4) . ?
C331 H33A 0.97 . ?
C331 H33B 0.97 . ?
C332 C432 1.513(6) . ?
C332 H33C 0.97 . ?
C332 H33D 0.97 . ?
C411 C416 1.377(7) . ?
C411 C412 1.380(7) . ?
C411 P4 1.852(4) . ?
C412 C413 1.388(7) . ?
C412 H412 0.93 . ?
C413 C414 1.355(8) . ?
C413 H413 0.93 . ?
C414 C415 1.364(8) . ?
C414 H414 0.93 . ?
C415 C416 1.399(7) . ?
C415 H415 0.93 . ?
C416 H416 0.93 . ?
C421 C426 1.383(6) . ?
C421 C422 1.393(6) . ?
C421 P4 1.834(4) . ?
C422 C423 1.391(7) . ?
C422 H422 0.93 . ?
C423 C424 1.367(7) . ?
C423 H423 0.93 . ?
C424 C425 1.380(8) . ?
C424 H424 0.93 . ?
C425 C426 1.372(7) . ?
C425 H425 0.93 . ?
C426 H426 0.93 . ?
C431 C432 1.539(6) . ?
C431 P4 1.829(4) . ?
C431 H43A 0.97 . ?
C431 H43B 0.97 . ?
C432 H43C 0.97 . ?
C432 H43D 0.97 . ?
N1 Ru1 2.055(3) . ?
N2 Ru1 2.091(4) . ?
N3 Ru2 2.071(3) . ?
N4 Ru2 2.091(3) . ?
O1 Ru1 2.204(3) . ?
O2 Ru1 2.169(3) . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8498 . ?
O3 Ru2 2.209(3) . ?
O4 Ru2 2.124(3) . ?
P1 Ru1 2.3039(11) . ?
P2 Ru1 2.3565(11) . ?
P3 Ru2 2.2726(11) . ?
P4 Ru2 2.3118(11) . ?
P5 F3 1.484(7) . ?
P5 F6 1.522(7) . ?
P5 F1 1.540(6) . ?
P5 F4 1.545(7) . ?
P5 F2 1.584(7) . ?
P5 F5 1.594(7) . ?
P6 F10 1.515(5) . ?
P6 F8 1.517(5) . ?
P6 F9 1.518(6) . ?
P6 F11 1.536(6) . ?
P6 F7 1.564(5) . ?
P6 F12 1.566(4) . ?
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 C1 C2 C3 -162.4(4) . . . . ?
O2 C1 C2 C3 15.2(6) . . . . ?
O1 C1 C2 C7 16.2(6) . . . . ?
O2 C1 C2 C7 -166.2(4) . . . . ?
C7 C2 C3 C4 -1.0(7) . . . . ?
C1 C2 C3 C4 177.6(4) . . . . ?
C2 C3 C4 C5 0.4(7) . . . . ?
C3 C4 C5 C6 -0.4(8) . . . . ?
C4 C5 C6 C7 0.9(7) . . . . ?
C3 C2 C7 C6 1.5(7) . . . . ?
C1 C2 C7 C6 -177.1(4) . . . . ?
C5 C6 C7 C2 -1.5(7) . . . . ?
N2 C8 C9 C10 0.0(9) . . . . ?
C8 C9 C10 C11 -0.3(10) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C10 C11 C12 N2 0.5(8) . . . . ?
C10 C11 C12 C13 -179.7(5) . . . . ?
N2 C12 C13 N1 -1.1(6) . . . . ?
C11 C12 C13 N1 179.2(5) . . . . ?
N2 C12 C13 C14 177.7(4) . . . . ?
C11 C12 C13 C14 -2.0(7) . . . . ?
N1 C13 C14 C15 -0.8(7) . . . . ?
C12 C13 C14 C15 -179.6(5) . . . . ?
C13 C14 C15 C16 0.9(8) . . . . ?
C14 C15 C16 C17 -1.1(8) . . . . ?
C15 C16 C17 N1 1.2(8) . . . . ?
O3 C18 C19 C24 176.1(5) . . . . ?
O4 C18 C19 C24 -2.8(7) . . . . ?
O3 C18 C19 C20 -3.6(7) . . . . ?
O4 C18 C19 C20 177.6(4) . . . . ?
C24 C19 C20 C21 -2.5(8) . . . . ?
C18 C19 C20 C21 177.2(5) . . . . ?
C19 C20 C21 C22 0.5(10) . . . . ?
C20 C21 C22 C23 3.1(12) . . . . ?
C21 C22 C23 C24 -4.5(12) . . . . ?
C20 C19 C24 C23 1.0(9) . . . . ?
C18 C19 C24 C23 -178.7(5) . . . . ?
C22 C23 C24 C19 2.4(10) . . . . ?
N4 C25 C26 C27 0.9(8) . . . . ?
C25 C26 C27 C28 0.4(9) . . . . ?
C26 C27 C28 C29 -1.6(8) . . . . ?
C27 C28 C29 N4 1.7(7) . . . . ?
C27 C28 C29 C30 179.5(4) . . . . ?
N4 C29 C30 N3 -0.2(5) . . . . ?
C28 C29 C30 N3 -178.2(4) . . . . ?
N4 C29 C30 C31 178.8(4) . . . . ?
C28 C29 C30 C31 0.8(7) . . . . ?
N3 C30 C31 C32 0.3(7) . . . . ?
C29 C30 C31 C32 -178.6(4) . . . . ?
C30 C31 C32 C33 -1.1(8) . . . . ?
C31 C32 C33 C34 0.8(8) . . . . ?
C32 C33 C34 N3 0.3(7) . . . . ?
C116 C111 C112 C113 1.3(7) . . . . ?
P1 C111 C112 C113 -173.8(4) . . . . ?
C111 C112 C113 C114 -0.3(8) . . . . ?
C112 C113 C114 C115 -0.9(9) . . . . ?
C113 C114 C115 C116 1.1(9) . . . . ?
C112 C111 C116 C115 -1.1(7) . . . . ?
P1 C111 C116 C115 174.0(4) . . . . ?
C114 C115 C116 C111 0.0(9) . . . . ?
C126 C121 C122 C123 -0.8(7) . . . . ?
P1 C121 C122 C123 174.1(4) . . . . ?
C121 C122 C123 C124 0.4(8) . . . . ?
C122 C123 C124 C125 -0.3(8) . . . . ?
C123 C124 C125 C126 0.5(8) . . . . ?
C124 C125 C126 C121 -0.8(7) . . . . ?
C122 C121 C126 C125 1.0(7) . . . . ?
P1 C121 C126 C125 -174.0(4) . . . . ?
P1 C131 C132 C232 -50.3(5) . . . . ?
C216 C211 C212 C213 0.4(7) . . . . ?
P2 C211 C212 C213 -173.6(4) . . . . ?
C211 C212 C213 C214 -0.8(8) . . . . ?
C212 C213 C214 C215 0.5(9) . . . . ?
C213 C214 C215 C216 0.3(8) . . . . ?
C214 C215 C216 C211 -0.7(8) . . . . ?
C212 C211 C216 C215 0.3(7) . . . . ?
P2 C211 C216 C215 174.4(4) . . . . ?
C226 C221 C222 C223 0.3(8) . . . . ?
P2 C221 C222 C223 -179.9(4) . . . . ?
C221 C222 C223 C224 0.6(8) . . . . ?
C222 C223 C224 C225 -0.3(10) . . . . ?
C223 C224 C225 C226 -0.9(13) . . . . ?
C222 C221 C226 C225 -1.4(11) . . . . ?
P2 C221 C226 C225 178.8(7) . . . . ?
C224 C225 C226 C221 1.8(14) . . . . ?
C131 C132 C232 C231 -52.2(5) . . . . ?
P2 C231 C232 C132 109.9(4) . . . . ?
C316 C311 C312 C313 -0.5(7) . . . . ?
P3 C311 C312 C313 -177.0(4) . . . . ?
C311 C312 C313 C314 0.2(8) . . . . ?
C312 C313 C314 C315 -0.3(11) . . . . ?
C313 C314 C315 C316 0.6(11) . . . . ?
C312 C311 C316 C315 0.9(8) . . . . ?
P3 C311 C316 C315 177.5(5) . . . . ?
C314 C315 C316 C311 -1.0(10) . . . . ?
C326 C321 C322 C323 1.2(7) . . . . ?
P3 C321 C322 C323 177.8(4) . . . . ?
C321 C322 C323 C324 -1.2(8) . . . . ?
C322 C323 C324 C325 0.5(9) . . . . ?
C323 C324 C325 C326 0.0(8) . . . . ?
C324 C325 C326 C321 0.0(8) . . . . ?
C322 C321 C326 C325 -0.7(7) . . . . ?
P3 C321 C326 C325 -177.3(4) . . . . ?
P3 C331 C332 C432 -67.4(5) . . . . ?
C416 C411 C412 C413 2.3(7) . . . . ?
P4 C411 C412 C413 -179.2(4) . . . . ?
C411 C412 C413 C414 -1.4(9) . . . . ?
C412 C413 C414 C415 0.7(10) . . . . ?
C413 C414 C415 C416 -1.0(9) . . . . ?
C412 C411 C416 C415 -2.6(7) . . . . ?
P4 C411 C416 C415 178.9(4) . . . . ?
C414 C415 C416 C411 2.0(8) . . . . ?
C426 C421 C422 C423 -0.6(7) . . . . ?
P4 C421 C422 C423 172.1(4) . . . . ?
C421 C422 C423 C424 0.0(8) . . . . ?
C422 C423 C424 C425 1.4(8) . . . . ?
C423 C424 C425 C426 -2.1(8) . . . . ?
C424 C425 C426 C421 1.4(8) . . . . ?
C422 C421 C426 C425 -0.1(7) . . . . ?
P4 C421 C426 C425 -172.4(4) . . . . ?
C331 C332 C432 C431 75.7(5) . . . . ?
P4 C431 C432 C332 -99.5(4) . . . . ?
C16 C17 N1 C13 -1.1(7) . . . . ?
C16 C17 N1 Ru1 179.7(4) . . . . ?
C14 C13 N1 C17 0.9(6) . . . . ?
C12 C13 N1 C17 179.7(4) . . . . ?
C14 C13 N1 Ru1 -179.8(3) . . . . ?
C12 C13 N1 Ru1 -1.0(5) . . . . ?
C9 C8 N2 C12 0.6(7) . . . . ?
C9 C8 N2 Ru1 176.9(4) . . . . ?
C11 C12 N2 C8 -0.8(7) . . . . ?
C13 C12 N2 C8 179.4(4) . . . . ?
C11 C12 N2 Ru1 -177.6(4) . . . . ?
C13 C12 N2 Ru1 2.6(5) . . . . ?
C33 C34 N3 C30 -1.1(6) . . . . ?
C33 C34 N3 Ru2 179.9(3) . . . . ?
C31 C30 N3 C34 0.8(6) . . . . ?
C29 C30 N3 C34 179.8(4) . . . . ?
C31 C30 N3 Ru2 179.9(4) . . . . ?
C29 C30 N3 Ru2 -1.1(5) . . . . ?
C26 C25 N4 C29 -0.9(7) . . . . ?
C26 C25 N4 Ru2 179.3(4) . . . . ?
C28 C29 N4 C25 -0.4(6) . . . . ?
C30 C29 N4 C25 -178.4(4) . . . . ?
C28 C29 N4 Ru2 179.4(4) . . . . ?
C30 C29 N4 Ru2 1.4(5) . . . . ?
O2 C1 O1 Ru1 -2.8(4) . . . . ?
C2 C1 O1 Ru1 174.9(4) . . . . ?
O1 C1 O2 Ru1 2.8(4) . . . . ?
C2 C1 O2 Ru1 -174.8(4) . . . . ?
O4 C18 O3 Ru2 5.0(4) . . . . ?
C19 C18 O3 Ru2 -173.9(4) . . . . ?
O3 C18 O4 Ru2 -5.2(4) . . . . ?
C19 C18 O4 Ru2 173.7(4) . . . . ?
C122 C121 P1 C111 -111.0(4) . . . . ?
C126 C121 P1 C111 63.8(4) . . . . ?
C122 C121 P1 C131 145.1(4) . . . . ?
C126 C121 P1 C131 -40.0(4) . . . . ?
C122 C121 P1 Ru1 8.7(4) . . . . ?
C126 C121 P1 Ru1 -176.4(3) . . . . ?
C116 C111 P1 C121 40.4(4) . . . . ?
C112 C111 P1 C121 -144.5(4) . . . . ?
C116 C111 P1 C131 147.4(4) . . . . ?
C112 C111 P1 C131 -37.5(4) . . . . ?
C116 C111 P1 Ru1 -85.1(4) . . . . ?
C112 C111 P1 Ru1 90.0(4) . . . . ?
C132 C131 P1 C121 -48.2(4) . . . . ?
C132 C131 P1 C111 -151.8(3) . . . . ?
C132 C131 P1 Ru1 87.4(4) . . . . ?
C232 C231 P2 C211 71.1(3) . . . . ?
C232 C231 P2 C221 176.2(3) . . . . ?
C232 C231 P2 Ru1 -57.7(4) . . . . ?
C212 C211 P2 C231 78.6(4) . . . . ?
C216 C211 P2 C231 -95.3(4) . . . . ?
C212 C211 P2 C221 -25.0(4) . . . . ?
C216 C211 P2 C221 161.1(4) . . . . ?
C212 C211 P2 Ru1 -150.1(3) . . . . ?
C216 C211 P2 Ru1 36.0(4) . . . . ?
C226 C221 P2 C231 -7.3(6) . . . . ?
C222 C221 P2 C231 172.9(4) . . . . ?
C226 C221 P2 C211 93.6(6) . . . . ?
C222 C221 P2 C211 -86.1(4) . . . . ?
C226 C221 P2 Ru1 -138.5(5) . . . . ?
C222 C221 P2 Ru1 41.7(4) . . . . ?
C322 C321 P3 C311 -117.2(4) . . . . ?
C326 C321 P3 C311 59.4(4) . . . . ?
C322 C321 P3 C331 139.8(4) . . . . ?
C326 C321 P3 C331 -43.6(4) . . . . ?
C322 C321 P3 Ru2 4.8(4) . . . . ?
C326 C321 P3 Ru2 -178.6(3) . . . . ?
C316 C311 P3 C321 41.2(4) . . . . ?
C312 C311 P3 C321 -142.3(4) . . . . ?
C316 C311 P3 C331 148.5(4) . . . . ?
C312 C311 P3 C331 -35.0(4) . . . . ?
C316 C311 P3 Ru2 -85.3(4) . . . . ?
C312 C311 P3 Ru2 91.2(4) . . . . ?
C332 C331 P3 C321 -50.4(4) . . . . ?
C332 C331 P3 C311 -154.1(4) . . . . ?
C332 C331 P3 Ru2 84.5(4) . . . . ?
C432 C431 P4 C421 -66.3(4) . . . . ?
C432 C431 P4 C411 -168.7(3) . . . . ?
C432 C431 P4 Ru2 67.5(4) . . . . ?
C426 C421 P4 C431 -22.0(4) . . . . ?
C422 C421 P4 C431 165.7(4) . . . . ?
C426 C421 P4 C411 80.6(4) . . . . ?
C422 C421 P4 C411 -91.8(4) . . . . ?
C426 C421 P4 Ru2 -157.4(3) . . . . ?
C422 C421 P4 Ru2 30.2(4) . . . . ?
C416 C411 P4 C431 -38.4(4) . . . . ?
C412 C411 P4 C431 143.2(4) . . . . ?
C416 C411 P4 C421 -143.0(4) . . . . ?
C412 C411 P4 C421 38.5(4) . . . . ?
C416 C411 P4 Ru2 91.1(4) . . . . ?
C412 C411 P4 Ru2 -87.3(4) . . . . ?
