#------------------------------------------------------------------------------
#$Date: 2016-02-20 21:30:07 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225134
loop_
_publ_author_name
'Hou, Jian-Guo'
_publ_section_title
;[1,1'-Bis(dicyclohexylphosphino)cobaltocenium-κ²P,P']chlorido(η⁵-cyclopentadienyl)ruthenium(II)
 hexafluoridophosphate
;
_journal_coeditor_code           WM2296
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m218
_journal_paper_doi               10.1107/S1600536810001790
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co Ru (C5 H5) (C17 H26 P)2 Cl] P F6'
_chemical_formula_moiety         'C39 H57 Cl Co P2 Ru, F6 P'
_chemical_formula_sum            'C39 H57 Cl Co F6 P3 Ru'
_chemical_formula_weight         928.21
_chemical_name_systematic
;
[1,1'-Bis(dicyclohexylphosphino)cobaltocenium-
κ²P,P']chlorido(η⁵-cyclopentadienyl)ruthenium(II)
hexafluoridophosphate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.107(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0095(16)
_cell_length_b                   16.9051(19)
_cell_length_c                   17.987(2)
_cell_measurement_reflns_used    6151
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      25.74
_cell_measurement_theta_min      2.27
_cell_volume                     4000.3(8)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_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  0.1390
_diffrn_reflns_av_sigmaI/netI    0.0781
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45838
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.035
_exptl_absorpt_correction_T_max  0.8197
_exptl_absorpt_correction_T_min  0.7465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.539
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         9503
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0494P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                7178
_reflns_number_total             9503
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm2296.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2225134
_cod_database_fobs_code          2225134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.556184(17) 0.318279(13) 0.174161(14) 0.03634(8) Uani d . 1 . .
Co Co1 0.27620(3) 0.44068(2) 0.04044(2) 0.03548(10) Uani d . 1 . .
Cl Cl1 0.57558(6) 0.42143(4) 0.08576(5) 0.04739(19) Uani d . 1 . .
P P1 0.46046(5) 0.40312(4) 0.22280(4) 0.03324(16) Uani d . 1 . .
P P2 0.42263(6) 0.26549(4) 0.06948(4) 0.03325(16) Uani d . 1 . .
P P3 0.98214(7) 0.37054(6) 0.13022(6) 0.0576(2) Uani d . 1 . .
F F1 1.07889(19) 0.40569(15) 0.19711(15) 0.0894(7) Uani d . 1 A .
F F2 0.8878(2) 0.3330(2) 0.06407(19) 0.1320(12) Uani d . 1 A .
F F3 0.9724(3) 0.3074(2) 0.18898(18) 0.1047(16) Uani d P 0.898(7) A 1
F F4 0.9097(3) 0.4248(3) 0.1547(4) 0.170(2) Uani d P 0.898(7) A 1
F F5 0.9920(4) 0.4375(4) 0.0729(3) 0.176(3) Uani d P 0.898(7) A 1
F F6 1.0572(3) 0.3183(3) 0.1041(3) 0.138(2) Uani d P 0.898(7) A 1
F F3' 0.9364(19) 0.3730(18) 0.1922(14) 0.074(9) Uiso d P 0.102(7) A 2
F F4' 0.938(2) 0.4442(15) 0.1044(16) 0.068(8) Uiso d P 0.102(7) A 2
F F5' 1.024(2) 0.3797(19) 0.0653(17) 0.077(9) Uiso d P 0.102(7) A 2
F F6' 1.028(2) 0.2862(15) 0.1421(18) 0.077(9) Uiso d P 0.102(7) A 2
C C1 0.2150(2) 0.33276(15) 0.00525(18) 0.0415(7) Uani d . 1 . .
H H1 0.1864 0.2996 0.0331 0.050 Uiso calc R 1 . .
C C2 0.1622(3) 0.39175(18) -0.04980(19) 0.0512(8) Uani d . 1 . .
H H2 0.0934 0.4038 -0.0643 0.061 Uiso calc R 1 . .
C C3 0.2331(3) 0.42879(18) -0.07845(18) 0.0531(8) Uani d . 1 . .
H H3 0.2189 0.4692 -0.1158 0.064 Uiso calc R 1 . .
C C4 0.3289(3) 0.39428(16) -0.04090(17) 0.0434(7) Uani d . 1 . .
H H4 0.3888 0.4092 -0.0485 0.052 Uiso calc R 1 . .
C C5 0.3199(2) 0.33255(15) 0.01089(16) 0.0354(6) Uani d . 1 . .
C C6 0.2576(2) 0.47172(16) 0.14378(18) 0.0412(7) Uani d . 1 . .
H H6 0.2242 0.4429 0.1715 0.049 Uiso calc R 1 . .
C C7 0.2126(3) 0.52909(17) 0.08465(19) 0.0479(8) Uani d . 1 . .
H H7 0.1446 0.5441 0.0667 0.058 Uiso calc R 1 . .
C C8 0.2881(2) 0.55932(16) 0.05777(19) 0.0465(7) Uani d . 1 . .
H H8 0.2788 0.5979 0.0191 0.056 Uiso calc R 1 . .
C C9 0.3811(2) 0.52080(15) 0.09986(18) 0.0407(7) Uani d . 1 . .
H H9 0.4433 0.5299 0.0935 0.049 Uiso calc R 1 . .
C C10 0.3627(2) 0.46562(15) 0.15355(16) 0.0349(6) Uani d . 1 . .
C C11 0.3404(2) 0.18618(15) 0.08930(17) 0.0361(6) Uani d . 1 . .
H H11 0.295 0.2145 0.1114 0.043 Uiso calc . 1 . .
C C12 0.3969(2) 0.12615(16) 0.15388(19) 0.0446(7) Uani d . 1 . .
H H12A 0.4412 0.0939 0.1351 0.054 Uiso calc R 1 . .
H H12B 0.4388 0.1543 0.2007 0.054 Uiso calc R 1 . .
C C13 0.3222(3) 0.07303(19) 0.1752(2) 0.0594(9) Uani d . 1 . .
H H13A 0.3596 0.0334 0.2130 0.071 Uiso calc R 1 . .
H H13B 0.2838 0.1046 0.2001 0.071 Uiso calc R 1 . .
C C14 0.2496(3) 0.03233(18) 0.1032(2) 0.0624(10) Uani d . 1 . .
H H14A 0.2006 0.0020 0.1186 0.075 Uiso calc R 1 . .
H H14B 0.2871 -0.0042 0.0820 0.075 Uiso calc R 1 . .
C C15 0.1937(3) 0.09141(19) 0.0395(2) 0.0589(9) Uani d . 1 . .
H H15A 0.1506 0.1245 0.0587 0.071 Uiso calc R 1 . .
H H15B 0.1506 0.0632 -0.0069 0.071 Uiso calc R 1 . .
C C16 0.2687(3) 0.14333(17) 0.01675(19) 0.0482(7) Uani d . 1 . .
H H16A 0.3080 0.1107 -0.0065 0.058 Uiso calc R 1 . .
H H16B 0.2315 0.1819 -0.0225 0.058 Uiso calc R 1 . .
C C17 0.4554(3) 0.22163(18) -0.0142(2) 0.0495(8) Uani d . 1 . .
H H17 0.390 0.210 -0.056 0.059 Uiso calc . 1 . .
C C18 0.5113(3) 0.14241(19) 0.0066(2) 0.0643(10) Uani d . 1 . .
H H18A 0.5786 0.1512 0.0451 0.077 Uiso calc R 1 . .
H H18B 0.4746 0.1079 0.0305 0.077 Uiso calc R 1 . .
C C19 0.5209(4) 0.1021(2) -0.0667(3) 0.0865(14) Uani d . 1 . .
H H19A 0.5583 0.0530 -0.0512 0.104 Uiso calc R 1 . .
H H19B 0.4537 0.0895 -0.1034 0.104 Uiso calc R 1 . .
C C20 0.5743(4) 0.1540(2) -0.1068(3) 0.0778(12) Uani d . 1 . .
H H20A 0.5738 0.1289 -0.1555 0.093 Uiso calc R 1 . .
H H20B 0.6445 0.1605 -0.0729 0.093 Uiso calc R 1 . .
C C21 0.5242(4) 0.2340(2) -0.1256(2) 0.0764(12) Uani d . 1 . .
H H21A 0.4573 0.2281 -0.1655 0.092 Uiso calc R 1 . .
H H21B 0.5642 0.2678 -0.1472 0.092 Uiso calc R 1 . .
C C22 0.5138(3) 0.2734(2) -0.0520(2) 0.0629(10) Uani d . 1 . .
H H22A 0.5809 0.2838 -0.0140 0.075 Uiso calc R 1 . .
H H22B 0.4790 0.3236 -0.0668 0.075 Uiso calc R 1 . .
C C23 0.5363(2) 0.48242(18) 0.2890(2) 0.0483(8) Uani d . 1 . .
H H23 0.573 0.4546 0.338 0.058 Uiso calc . 1 . .
C C24 0.6185(3) 0.5190(2) 0.2663(3) 0.0739(12) Uani d . 1 . .
H H24A 0.5892 0.5541 0.2215 0.089 Uiso calc R 1 . .
H H24B 0.6564 0.4781 0.2506 0.089 Uiso calc R 1 . .
C C25 0.6908(3) 0.5662(2) 0.3366(3) 0.0805(13) Uani d . 1 . .
H H25A 0.7240 0.5304 0.3799 0.097 Uiso calc R 1 . .
H H25B 0.7429 0.5915 0.3207 0.097 Uiso calc R 1 . .
C C26 0.6322(4) 0.6288(2) 0.3643(3) 0.0892(14) Uani d . 1 . .
H H26A 0.6772 0.6522 0.4130 0.107 Uiso calc R 1 . .
H H26B 0.6116 0.6704 0.3248 0.107 Uiso calc R 1 . .
C C27 0.5423(4) 0.5986(2) 0.3780(3) 0.0846(14) Uani d . 1 . .
H H27A 0.5015 0.6431 0.3836 0.101 Uiso calc R 1 . .
H H27B 0.5638 0.5698 0.4277 0.101 Uiso calc R 1 . .
C C28 0.4770(3) 0.5453(2) 0.3138(2) 0.0571(9) Uani d . 1 . .
H H28A 0.4405 0.5771 0.2680 0.068 Uiso calc R 1 . .
H H28B 0.4271 0.5198 0.3322 0.068 Uiso calc R 1 . .
C C29 0.3897(2) 0.36368(16) 0.28573(16) 0.0372(6) Uani d . 1 . .
H H29 0.346 0.4066 0.2925 0.045 Uiso calc . 1 . .
C C30 0.4575(3) 0.3384(2) 0.36804(19) 0.0602(9) Uani d . 1 . .
H H30A 0.4974 0.3834 0.3950 0.072 Uiso calc R 1 . .
H H30B 0.5042 0.2980 0.3633 0.072 Uiso calc R 1 . .
C C31 0.3972(3) 0.3061(2) 0.4179(2) 0.0667(11) Uani d . 1 . .
H H31A 0.4439 0.2873 0.4682 0.080 Uiso calc R 1 . .
H H31B 0.3566 0.3482 0.4286 0.080 Uiso calc R 1 . .
C C32 0.3283(3) 0.2393(2) 0.3758(2) 0.0642(10) Uani d . 1 . .
H H32A 0.3693 0.1948 0.3705 0.077 Uiso calc R 1 . .
H H32B 0.2879 0.2221 0.4071 0.077 Uiso calc R 1 . .
C C33 0.2587(3) 0.26442(19) 0.2949(2) 0.0537(8) Uani d . 1 . .
H H33A 0.2132 0.3055 0.3004 0.064 Uiso calc R 1 . .
H H33B 0.2177 0.2197 0.2683 0.064 Uiso calc R 1 . .
C C34 0.3193(2) 0.29517(16) 0.24557(17) 0.0389(6) Uani d . 1 . .
H H34A 0.2727 0.3128 0.1947 0.047 Uiso calc R 1 . .
H H34B 0.3597 0.2524 0.2360 0.047 Uiso calc R 1 . .
C C35 0.6341(3) 0.2047(2) 0.2061(3) 0.0632(10) Uani d . 1 . .
H H35 0.6057 0.1574 0.1823 0.076 Uiso calc R 1 . .
C C36 0.6228(3) 0.2370(2) 0.2737(2) 0.0668(11) Uani d . 1 . .
H H36 0.5855 0.2156 0.3028 0.080 Uiso calc R 1 . .
C C37 0.6792(3) 0.3091(2) 0.2901(2) 0.0687(11) Uani d . 1 . .
H H37 0.6856 0.3431 0.3322 0.082 Uiso calc R 1 . .
C C38 0.7228(3) 0.3197(2) 0.2324(3) 0.0691(11) Uani d . 1 . .
H H38 0.7633 0.3622 0.2292 0.083 Uiso calc R 1 . .
C C39 0.6959(3) 0.2555(2) 0.1797(3) 0.0635(10) Uani d . 1 . .
H H39 0.7152 0.2478 0.1356 0.076 Uiso calc R 1 . .
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C35 Ru1 C36 . . 37.00(14) ?
C35 Ru1 C39 . . 37.60(13) ?
C36 Ru1 C39 . . 62.51(15) ?
C35 Ru1 C38 . . 62.18(15) ?
C36 Ru1 C38 . . 62.32(15) ?
C39 Ru1 C38 . . 37.20(14) ?
C35 Ru1 C37 . . 62.14(15) ?
C36 Ru1 C37 . . 37.85(14) ?
C39 Ru1 C37 . . 61.93(16) ?
C38 Ru1 C37 . . 36.56(15) ?
C35 Ru1 P2 . . 93.77(11) ?
C36 Ru1 P2 . . 114.70(11) ?
C39 Ru1 P2 . . 107.88(11) ?
C38 Ru1 P2 . . 144.42(12) ?
C37 Ru1 P2 . . 152.44(11) ?
C35 Ru1 P1 . . 137.89(11) ?
C36 Ru1 P1 . . 102.56(11) ?
C39 Ru1 P1 . . 153.98(12) ?
C38 Ru1 P1 . . 117.82(12) ?
C37 Ru1 P1 . . 92.97(12) ?
P2 Ru1 P1 . . 97.67(3) yes
C35 Ru1 Cl1 . . 129.99(11) ?
C36 Ru1 Cl1 . . 150.32(11) ?
C39 Ru1 Cl1 . . 94.46(10) ?
C38 Ru1 Cl1 . . 88.00(11) ?
C37 Ru1 Cl1 . . 116.14(12) ?
P2 Ru1 Cl1 . . 89.17(3) yes
P1 Ru1 Cl1 . . 90.70(3) yes
C4 Co1 C9 . . 105.38(13) ?
C4 Co1 C2 . . 69.05(14) ?
C9 Co1 C2 . . 158.76(13) ?
C4 Co1 C3 . . 40.76(13) ?
C9 Co1 C3 . . 121.73(13) ?
C2 Co1 C3 . . 40.91(14) ?
C4 Co1 C1 . . 69.05(12) ?
C9 Co1 C1 . . 157.84(12) ?
C2 Co1 C1 . . 41.14(12) ?
C3 Co1 C1 . . 68.85(13) ?
C4 Co1 C10 . . 124.76(12) ?
C9 Co1 C10 . . 41.43(11) ?
C2 Co1 C10 . . 158.10(13) ?
C3 Co1 C10 . . 160.39(14) ?
C1 Co1 C10 . . 123.08(11) ?
C4 Co1 C8 . . 117.80(12) ?
C9 Co1 C8 . . 41.14(12) ?
C2 Co1 C8 . . 121.91(13) ?
C3 Co1 C8 . . 103.87(13) ?
C1 Co1 C8 . . 160.71(12) ?
C10 Co1 C8 . . 69.52(12) ?
C4 Co1 C6 . . 163.88(12) ?
C9 Co1 C6 . . 68.93(12) ?
C2 Co1 C6 . . 121.71(14) ?
C3 Co1 C6 . . 155.12(13) ?
C1 Co1 C6 . . 110.20(12) ?
C10 Co1 C6 . . 41.18(11) ?
C8 Co1 C6 . . 68.50(12) ?
C4 Co1 C7 . . 152.84(12) ?
C9 Co1 C7 . . 68.67(13) ?
C2 Co1 C7 . . 106.45(13) ?
C3 Co1 C7 . . 118.31(13) ?
C1 Co1 C7 . . 126.10(13) ?
C10 Co1 C7 . . 69.24(12) ?
C8 Co1 C7 . . 40.34(12) ?
C6 Co1 C7 . . 40.76(12) ?
C4 Co1 C5 . . 41.26(11) ?
C9 Co1 C5 . . 120.52(12) ?
C2 Co1 C5 . . 69.61(12) ?
C3 Co1 C5 . . 69.22(12) ?
C1 Co1 C5 . . 41.27(11) ?
C10 Co1 C5 . . 108.48(11) ?
C8 Co1 C5 . . 154.65(12) ?
C6 Co1 C5 . . 127.55(11) ?
C7 Co1 C5 . . 164.39(12) ?
C10 P1 C23 . . 98.49(14) yes
C10 P1 C29 . . 100.92(13) ?
C23 P1 C29 . . 100.04(14) ?
C10 P1 Ru1 . . 119.39(9) ?
C23 P1 Ru1 . . 114.06(11) yes
C29 P1 Ru1 . . 120.17(9) ?
C5 P2 C17 . . 98.20(14) yes
C5 P2 C11 . . 97.89(13) ?
C17 P2 C11 . . 101.89(14) ?
C5 P2 Ru1 . . 118.51(9) yes
C17 P2 Ru1 . . 116.82(13) ?
C11 P2 Ru1 . . 119.63(10) ?
F4' P3 F3' . . 88.3(17) ?
F4' P3 F5' . . 83.8(17) ?
F3' P3 F5' . . 172.0(17) ?
F4' P3 F3 . . 135.6(14) ?
F3' P3 F3 . . 48.1(12) ?
F5' P3 F3 . . 139.9(13) ?
F4' P3 F4 . . 46.0(13) ?
F3' P3 F4 . . 42.5(11) ?
F5' P3 F4 . . 129.7(13) ?
F3 P3 F4 . . 89.7(3) ?
F4' P3 F6' . . 169.2(16) ?
F3' P3 F6' . . 100.8(17) ?
F5' P3 F6' . . 87.2(16) ?
F3 P3 F6' . . 52.8(12) ?
F4 P3 F6' . . 142.2(13) ?
F4' P3 F6 . . 131.9(14) ?
F3' P3 F6 . . 139.4(13) ?
F5' P3 F6 . . 48.3(13) ?
F3 P3 F6 . . 92.4(3) ?
F4 P3 F6 . . 177.8(3) ?
F6' P3 F6 . . 40.0(11) ?
F4' P3 F5 . . 42.7(13) ?
F3' P3 F5 . . 129.8(12) ?
F5' P3 F5 . . 42.2(12) ?
F3 P3 F5 . . 177.6(3) ?
F4 P3 F5 . . 88.5(3) ?
F6' P3 F5 . . 129.2(12) ?
F6 P3 F5 . . 89.4(3) ?
F4' P3 F2 . . 87.1(10) ?
F3' P3 F2 . . 96.5(9) ?
F5' P3 F2 . . 84.3(10) ?
F3 P3 F2 . . 89.44(18) ?
F4 P3 F2 . . 89.5(2) ?
F6' P3 F2 . . 86.1(10) ?
F6 P3 F2 . . 91.3(2) ?
F5 P3 F2 . . 92.0(2) ?
F4' P3 F1 . . 94.7(10) ?
F3' P3 F1 . . 84.0(9) ?
F5' P3 F1 . . 95.4(10) ?
F3 P3 F1 . . 89.60(15) ?
F4 P3 F1 . . 92.0(2) ?
F6' P3 F1 . . 92.1(10) ?
F6 P3 F1 . . 87.24(18) ?
F5 P3 F1 . . 89.0(2) ?
F2 P3 F1 . . 178.18(18) ?
C2 C1 C5 . . 109.0(3) ?
C2 C1 Co1 . . 69.39(17) ?
C5 C1 Co1 . . 70.56(16) ?
C2 C1 H1 . . 125.5 ?
C5 C1 H1 . . 125.5 ?
Co1 C1 H1 . . 126.1 ?
C3 C2 C1 . . 107.6(3) ?
C3 C2 Co1 . . 69.58(19) ?
C1 C2 Co1 . . 69.47(17) ?
C3 C2 H2 . . 126.2 ?
C1 C2 H2 . . 126.2 ?
Co1 C2 H2 . . 126.3 ?
C4 C3 C2 . . 108.4(3) ?
C4 C3 Co1 . . 69.17(17) ?
C2 C3 Co1 . . 69.51(18) ?
C4 C3 H3 . . 125.8 ?
C2 C3 H3 . . 125.8 ?
Co1 C3 H3 . . 127.1 ?
C3 C4 C5 . . 109.4(3) ?
C3 C4 Co1 . . 70.07(18) ?
C5 C4 Co1 . . 71.01(16) ?
C3 C4 H4 . . 125.3 ?
C5 C4 H4 . . 125.3 ?
Co1 C4 H4 . . 125.2 ?
C4 C5 C1 . . 105.6(2) ?
C4 C5 P2 . . 126.2(2) ?
C1 C5 P2 . . 128.2(2) ?
C4 C5 Co1 . . 67.73(15) ?
C1 C5 Co1 . . 68.17(15) ?
P2 C5 Co1 . . 129.80(15) ?
C7 C6 C10 . . 108.4(3) ?
C7 C6 Co1 . . 69.76(17) ?
C10 C6 Co1 . . 69.04(16) ?
C7 C6 H6 . . 125.8 ?
C10 C6 H6 . . 125.8 ?
Co1 C6 H6 . . 127.0 ?
C8 C7 C6 . . 108.4(3) ?
C8 C7 Co1 . . 69.51(16) ?
C6 C7 Co1 . . 69.48(16) ?
C8 C7 H7 . . 125.8 ?
C6 C7 H7 . . 125.8 ?
Co1 C7 H7 . . 126.8 ?
C7 C8 C9 . . 108.1(3) ?
C7 C8 Co1 . . 70.16(16) ?
C9 C8 Co1 . . 68.91(15) ?
C7 C8 H8 . . 125.9 ?
C9 C8 H8 . . 125.9 ?
Co1 C8 H8 . . 126.6 ?
C8 C9 C10 . . 108.3(3) ?
C8 C9 Co1 . . 69.96(17) ?
C10 C9 Co1 . . 69.61(16) ?
C8 C9 H9 . . 125.8 ?
C10 C9 H9 . . 125.8 ?
Co1 C9 H9 . . 126.2 ?
C6 C10 C9 . . 106.7(2) ?
C6 C10 P1 . . 128.5(2) ?
C9 C10 P1 . . 124.7(2) ?
C6 C10 Co1 . . 69.78(17) ?
C9 C10 Co1 . . 68.95(16) ?
P1 C10 Co1 . . 127.72(13) ?
C16 C11 C12 . . 110.4(2) ?
C16 C11 P2 . . 116.2(2) ?
C12 C11 P2 . . 115.0(2) ?
C16 C11 H11 . . 104.6 ?
C12 C11 H11 . . 104.6 ?
P2 C11 H11 . . 104.6 ?
C13 C12 C11 . . 110.9(3) ?
C13 C12 H12A . . 109.4 ?
C11 C12 H12A . . 109.4 ?
C13 C12 H12B . . 109.4 ?
C11 C12 H12B . . 109.4 ?
H12A C12 H12B . . 108.0 ?
C14 C13 C12 . . 111.8(3) ?
C14 C13 H13A . . 109.2 ?
C12 C13 H13A . . 109.2 ?
C14 C13 H13B . . 109.2 ?
C12 C13 H13B . . 109.2 ?
H13A C13 H13B . . 107.9 ?
C13 C14 C15 . . 111.6(3) ?
C13 C14 H14A . . 109.3 ?
C15 C14 H14A . . 109.3 ?
C13 C14 H14B . . 109.3 ?
C15 C14 H14B . . 109.3 ?
H14A C14 H14B . . 108.0 ?
C14 C15 C16 . . 110.9(3) ?
C14 C15 H15A . . 109.5 ?
C16 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
C16 C15 H15B . . 109.5 ?
H15A C15 H15B . . 108.1 ?
C11 C16 C15 . . 110.7(3) ?
C11 C16 H16A . . 109.5 ?
C15 C16 H16A . . 109.5 ?
C11 C16 H16B . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 108.1 ?
C22 C17 C18 . . 107.9(3) ?
C22 C17 P2 . . 117.0(2) ?
C18 C17 P2 . . 113.3(2) ?
C22 C17 H17 . . 106 ?
C18 C17 H17 . . 106 ?
P2 C17 H17 . . 106 ?
C19 C18 C17 . . 111.5(3) ?
C19 C18 H18A . . 109.3 ?
C17 C18 H18A . . 109.3 ?
C19 C18 H18B . . 109.3 ?
C17 C18 H18B . . 109.3 ?
H18A C18 H18B . . 108.0 ?
C20 C19 C18 . . 111.3(3) ?
C20 C19 H19A . . 109.4 ?
C18 C19 H19A . . 109.4 ?
C20 C19 H19B . . 109.4 ?
C18 C19 H19B . . 109.4 ?
H19A C19 H19B . . 108.0 ?
C19 C20 C21 . . 111.3(3) ?
C19 C20 H20A . . 109.4 ?
C21 C20 H20A . . 109.4 ?
C19 C20 H20B . . 109.4 ?
C21 C20 H20B . . 109.4 ?
H20A C20 H20B . . 108.0 ?
C20 C21 C22 . . 111.8(3) ?
C20 C21 H21A . . 109.2 ?
C22 C21 H21A . . 109.3 ?
C20 C21 H21B . . 109.2 ?
C22 C21 H21B . . 109.2 ?
H21A C21 H21B . . 107.9 ?
C17 C22 C21 . . 111.4(3) ?
C17 C22 H22A . . 109.4 ?
C21 C22 H22A . . 109.4 ?
C17 C22 H22B . . 109.4 ?
C21 C22 H22B . . 109.4 ?
H22A C22 H22B . . 108.0 ?
C24 C23 C28 . . 110.3(3) ?
C24 C23 P1 . . 116.7(3) ?
C28 C23 P1 . . 116.4(2) ?
C24 C23 H23 . . 104 ?
C28 C23 H23 . . 104 ?
P1 C23 H23 . . 103.8 ?
C23 C24 C25 . . 110.0(3) ?
C23 C24 H24A . . 109.7 ?
C25 C24 H24A . . 109.7 ?
C23 C24 H24B . . 109.7 ?
C25 C24 H24B . . 109.7 ?
H24A C24 H24B . . 108.2 ?
C26 C25 C24 . . 110.6(4) ?
C26 C25 H25A . . 109.5 ?
C24 C25 H25A . . 109.5 ?
C26 C25 H25B . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 108.1 ?
C27 C26 C25 . . 113.9(3) ?
C27 C26 H26A . . 108.8 ?
C25 C26 H26A . . 108.8 ?
C27 C26 H26B . . 108.8 ?
C25 C26 H26B . . 108.8 ?
H26A C26 H26B . . 107.7 ?
C26 C27 C28 . . 114.4(4) ?
C26 C27 H27A . . 108.7 ?
C28 C27 H27A . . 108.7 ?
C26 C27 H27B . . 108.7 ?
C28 C27 H27B . . 108.7 ?
H27A C27 H27B . . 107.6 ?
C27 C28 C23 . . 113.5(3) ?
C27 C28 H28A . . 108.9 ?
C23 C28 H28A . . 108.9 ?
C27 C28 H28B . . 108.9 ?
C23 C28 H28B . . 108.9 ?
H28A C28 H28B . . 107.7 ?
C30 C29 C34 . . 109.4(2) ?
C30 C29 P1 . . 114.0(2) ?
C34 C29 P1 . . 111.99(19) ?
C30 C29 H29 . . 107.0 ?
C34 C29 H29 . . 107.0 ?
P1 C29 H29 . . 107.0 ?
C29 C30 C31 . . 112.7(3) ?
C29 C30 H30A . . 109.1 ?
C31 C30 H30A . . 109.1 ?
C29 C30 H30B . . 109.1 ?
C31 C30 H30B . . 109.1 ?
H30A C30 H30B . . 107.8 ?
C32 C31 C30 . . 111.0(3) ?
C32 C31 H31A . . 109.4 ?
C30 C31 H31A . . 109.4 ?
C32 C31 H31B . . 109.4 ?
C30 C31 H31B . . 109.4 ?
H31A C31 H31B . . 108.0 ?
C33 C32 C31 . . 111.3(3) ?
C33 C32 H32A . . 109.4 ?
C31 C32 H32A . . 109.4 ?
C33 C32 H32B . . 109.4 ?
C31 C32 H32B . . 109.4 ?
H32A C32 H32B . . 108.0 ?
C32 C33 C34 . . 110.8(3) ?
C32 C33 H33A . . 109.5 ?
C34 C33 H33A . . 109.5 ?
C32 C33 H33B . . 109.5 ?
C34 C33 H33B . . 109.5 ?
H33A C33 H33B . . 108.1 ?
C33 C34 C29 . . 112.5(2) ?
C33 C34 H34A . . 109.1 ?
C29 C34 H34A . . 109.1 ?
C33 C34 H34B . . 109.1 ?
C29 C34 H34B . . 109.1 ?
H34A C34 H34B . . 107.8 ?
C36 C35 C39 . . 108.8(4) ?
C36 C35 Ru1 . . 71.84(19) ?
C39 C35 Ru1 . . 71.69(18) ?
C36 C35 H35 . . 125.6 ?
C39 C35 H35 . . 125.6 ?
Ru1 C35 H35 . . 122.5 ?
C35 C36 C37 . . 107.1(4) ?
C35 C36 Ru1 . . 71.2(2) ?
C37 C36 Ru1 . . 71.6(2) ?
C35 C36 H36 . . 126.4 ?
C37 C36 H36 . . 126.4 ?
Ru1 C36 H36 . . 122.6 ?
C38 C37 C36 . . 108.1(4) ?
C38 C37 Ru1 . . 71.7(2) ?
C36 C37 Ru1 . . 70.6(2) ?
C38 C37 H37 . . 125.9 ?
C36 C37 H37 . . 125.9 ?
Ru1 C37 H37 . . 123.4 ?
C37 C38 C39 . . 108.7(4) ?
C37 C38 Ru1 . . 71.8(2) ?
C39 C38 Ru1 . . 71.1(2) ?
C37 C38 H38 . . 125.6 ?
C39 C38 H38 . . 125.6 ?
Ru1 C38 H38 . . 123.1 ?
C38 C39 C35 . . 107.2(4) ?
C38 C39 Ru1 . . 71.68(19) ?
C35 C39 Ru1 . . 70.71(19) ?
C38 C39 H39 . . 126.4 ?
C35 C39 H39 . . 126.4 ?
Ru1 C39 H39 . . 122.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C35 . 2.186(3) y
Ru1 C36 . 2.195(3) y
Ru1 C39 . 2.199(3) y
Ru1 C38 . 2.206(3) y
Ru1 C37 . 2.208(4) y
Ru1 P2 . 2.3282(8) yes
Ru1 P1 . 2.3297(7) yes
Ru1 Cl1 . 2.4372(7) yes
Co1 C4 . 2.011(3) ?
Co1 C9 . 2.014(3) ?
Co1 C2 . 2.021(3) ?
Co1 C3 . 2.022(3) ?
Co1 C1 . 2.023(3) ?
Co1 C10 . 2.023(3) ?
Co1 C8 . 2.028(3) ?
Co1 C6 . 2.033(3) ?
Co1 C7 . 2.036(3) ?
Co1 C5 . 2.055(2) ?
P1 C10 . 1.836(3) ?
P1 C23 . 1.864(3) ?
P1 C29 . 1.866(3) ?
P2 C5 . 1.851(3) ?
P2 C17 . 1.872(3) ?
P2 C11 . 1.880(3) ?
P3 F4' . 1.39(2) ?
P3 F3' . 1.47(2) ?
P3 F5' . 1.48(3) ?
P3 F3 . 1.541(3) ?
P3 F4 . 1.541(4) ?
P3 F6' . 1.55(3) ?
P3 F6 . 1.564(4) ?
P3 F5 . 1.568(4) ?
P3 F2 . 1.576(3) ?
P3 F1 . 1.586(3) ?
C1 C2 . 1.421(4) ?
C1 C5 . 1.437(4) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.413(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.405(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.433(4) ?
C4 H4 . 0.9300 ?
C6 C7 . 1.417(4) ?
C6 C10 . 1.426(4) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.401(4) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.420(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.428(4) ?
C9 H9 . 0.9300 ?
C11 C16 . 1.528(4) ?
C11 C12 . 1.541(4) ?
C11 H11 . 0.97 ?
C12 C13 . 1.525(4) ?
C12 H12A . 0.9700 ?
C12 H12B . 0.9700 ?
C13 C14 . 1.509(5) ?
C13 H13A . 0.9700 ?
C13 H13B . 0.9700 ?
C14 C15 . 1.519(5) ?
C14 H14A . 0.9700 ?
C14 H14B . 0.9700 ?
C15 C16 . 1.529(4) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 H16A . 0.9700 ?
C16 H16B . 0.9700 ?
C17 C22 . 1.509(5) ?
C17 C18 . 1.531(4) ?
C17 H17 . 0.97 ?
C18 C19 . 1.531(5) ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
C19 C20 . 1.490(6) ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C20 C21 . 1.508(5) ?
C20 H20A . 0.9700 ?
C20 H20B . 0.9700 ?
C21 C22 . 1.532(5) ?
C21 H21A . 0.9700 ?
C21 H21B . 0.9700 ?
C22 H22A . 0.9700 ?
C22 H22B . 0.9700 ?
C23 C24 . 1.484(5) ?
C23 C28 . 1.507(5) ?
C23 H23 . 0.97 ?
C24 C25 . 1.543(5) ?
C24 H24A . 0.9700 ?
C24 H24B . 0.9700 ?
C25 C26 . 1.525(6) ?
C25 H25A . 0.9700 ?
C25 H25B . 0.9700 ?
C26 C27 . 1.456(6) ?
C26 H26A . 0.9700 ?
C26 H26B . 0.9700 ?
C27 C28 . 1.503(5) ?
C27 H27A . 0.9700 ?
C27 H27B . 0.9700 ?
C28 H28A . 0.9700 ?
C28 H28B . 0.9700 ?
C29 C30 . 1.520(4) ?
C29 C34 . 1.532(4) ?
C29 H29 . 0.97 ?
C30 C31 . 1.529(5) ?
C30 H30A . 0.9700 ?
C30 H30B . 0.9700 ?
C31 C32 . 1.510(5) ?
C31 H31A . 0.9700 ?
C31 H31B . 0.9700 ?
C32 C33 . 1.507(5) ?
C32 H32A . 0.9700 ?
C32 H32B . 0.9700 ?
C33 C34 . 1.515(4) ?
C33 H33A . 0.9700 ?
C33 H33B . 0.9700 ?
C34 H34A . 0.9700 ?
C34 H34B . 0.9700 ?
C35 C36 . 1.390(5) ?
C35 C39 . 1.413(5) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.428(5) ?
C36 H36 . 0.9300 ?
C37 C38 . 1.385(6) ?
C37 H37 . 0.9300 ?
C38 C39 . 1.405(5) ?
C38 H38 . 0.9300 ?
C39 H39 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C9 H9 Cl1 . 0.93 2.65 3.284(3) 126.5
C6 H6 F1 1_455 0.93 2.32 3.176(4) 152.2
C3 H3 F4 3_665 0.93 2.47 3.181(6) 133.9
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C35 Ru1 P1 C10 . . . . -150.51(19) ?
C36 Ru1 P1 C10 . . . . -163.67(15) ?
C39 Ru1 P1 C10 . . . . 144.8(2) ?
C38 Ru1 P1 C10 . . . . 131.21(16) ?
C37 Ru1 P1 C10 . . . . 159.32(15) ?
P2 Ru1 P1 C10 . . . . -46.16(10) ?
Cl1 Ru1 P1 C10 . . . . 43.10(10) ?
C35 Ru1 P1 C23 . . . . 93.6(2) ?
C36 Ru1 P1 C23 . . . . 80.41(17) ?
C39 Ru1 P1 C23 . . . . 28.9(3) ?
C38 Ru1 P1 C23 . . . . 15.29(17) ?
C37 Ru1 P1 C23 . . . . 43.40(17) ?
P2 Ru1 P1 C23 . . . . -162.08(13) ?
Cl1 Ru1 P1 C23 . . . . -72.82(13) ?
C35 Ru1 P1 C29 . . . . -25.1(2) ?
C36 Ru1 P1 C29 . . . . -38.30(16) ?
C39 Ru1 P1 C29 . . . . -89.9(3) ?
C38 Ru1 P1 C29 . . . . -103.42(16) ?
C37 Ru1 P1 C29 . . . . -75.31(16) ?
P2 Ru1 P1 C29 . . . . 79.21(11) ?
Cl1 Ru1 P1 C29 . . . . 168.47(11) ?
C35 Ru1 P2 C5 . . . . 179.85(15) ?
C36 Ru1 P2 C5 . . . . 148.14(16) ?
C39 Ru1 P2 C5 . . . . -144.54(15) ?
C38 Ru1 P2 C5 . . . . -135.5(2) ?
C37 Ru1 P2 C5 . . . . 152.3(3) ?
P1 Ru1 P2 C5 . . . . 40.48(11) ?
Cl1 Ru1 P2 C5 . . . . -50.12(11) ?
C35 Ru1 P2 C17 . . . . -62.99(15) ?
C36 Ru1 P2 C17 . . . . -94.71(16) ?
C39 Ru1 P2 C17 . . . . -27.38(15) ?
C38 Ru1 P2 C17 . . . . -18.4(2) ?
C37 Ru1 P2 C17 . . . . -90.6(3) ?
P1 Ru1 P2 C17 . . . . 157.63(11) ?
Cl1 Ru1 P2 C17 . . . . 67.04(11) ?
C35 Ru1 P2 C11 . . . . 60.60(15) ?
C36 Ru1 P2 C11 . . . . 28.88(16) ?
C39 Ru1 P2 C11 . . . . 96.21(15) ?
C38 Ru1 P2 C11 . . . . 105.2(2) ?
C37 Ru1 P2 C11 . . . . 33.0(3) ?
P1 Ru1 P2 C11 . . . . -78.78(10) ?
Cl1 Ru1 P2 C11 . . . . -169.37(10) ?
C4 Co1 C1 C2 . . . . -81.7(2) ?
C9 Co1 C1 C2 . . . . -160.9(3) ?
C3 Co1 C1 C2 . . . . -37.9(2) ?
C10 Co1 C1 C2 . . . . 159.63(19) ?
C8 Co1 C1 C2 . . . . 33.0(5) ?
C6 Co1 C1 C2 . . . . 115.5(2) ?
C7 Co1 C1 C2 . . . . 72.4(2) ?
C5 Co1 C1 C2 . . . . -120.1(3) ?
C4 Co1 C1 C5 . . . . 38.37(17) ?
C9 Co1 C1 C5 . . . . -40.8(4) ?
C2 Co1 C1 C5 . . . . 120.1(3) ?
C3 Co1 C1 C5 . . . . 82.19(18) ?
C10 Co1 C1 C5 . . . . -80.27(19) ?
C8 Co1 C1 C5 . . . . 153.1(4) ?
C6 Co1 C1 C5 . . . . -124.42(17) ?
C7 Co1 C1 C5 . . . . -167.49(17) ?
C5 C1 C2 C3 . . . . -0.3(3) ?
Co1 C1 C2 C3 . . . . 59.4(2) ?
C5 C1 C2 Co1 . . . . -59.6(2) ?
C4 Co1 C2 C3 . . . . -37.19(17) ?
C9 Co1 C2 C3 . . . . 41.2(4) ?
C1 Co1 C2 C3 . . . . -118.9(3) ?
C10 Co1 C2 C3 . . . . -170.4(3) ?
C8 Co1 C2 C3 . . . . 73.3(2) ?
C6 Co1 C2 C3 . . . . 156.25(17) ?
C7 Co1 C2 C3 . . . . 114.49(19) ?
C5 Co1 C2 C3 . . . . -81.43(19) ?
C4 Co1 C2 C1 . . . . 81.74(19) ?
C9 Co1 C2 C1 . . . . 160.1(3) ?
C3 Co1 C2 C1 . . . . 118.9(3) ?
C10 Co1 C2 C1 . . . . -51.4(4) ?
C8 Co1 C2 C1 . . . . -167.77(18) ?
C6 Co1 C2 C1 . . . . -84.8(2) ?
C7 Co1 C2 C1 . . . . -126.58(19) ?
C5 Co1 C2 C1 . . . . 37.50(17) ?
C1 C2 C3 C4 . . . . -0.9(3) ?
Co1 C2 C3 C4 . . . . 58.4(2) ?
C1 C2 C3 Co1 . . . . -59.3(2) ?
C9 Co1 C3 C4 . . . . 76.1(2) ?
C2 Co1 C3 C4 . . . . -120.2(3) ?
C1 Co1 C3 C4 . . . . -82.04(19) ?
C10 Co1 C3 C4 . . . . 49.1(4) ?
C8 Co1 C3 C4 . . . . 116.71(19) ?
C6 Co1 C3 C4 . . . . -174.7(3) ?
C7 Co1 C3 C4 . . . . 157.35(18) ?
C5 Co1 C3 C4 . . . . -37.70(18) ?
C4 Co1 C3 C2 . . . . 120.2(3) ?
C9 Co1 C3 C2 . . . . -163.71(17) ?
C1 Co1 C3 C2 . . . . 38.12(17) ?
C10 Co1 C3 C2 . . . . 169.3(3) ?
C8 Co1 C3 C2 . . . . -123.12(19) ?
C6 Co1 C3 C2 . . . . -54.5(4) ?
C7 Co1 C3 C2 . . . . -82.5(2) ?
C5 Co1 C3 C2 . . . . 82.46(19) ?
C2 C3 C4 C5 . . . . 1.8(3) ?
Co1 C3 C4 C5 . . . . 60.4(2) ?
C2 C3 C4 Co1 . . . . -58.6(2) ?
C9 Co1 C4 C3 . . . . -121.1(2) ?
C2 Co1 C4 C3 . . . . 37.32(19) ?
C1 Co1 C4 C3 . . . . 81.5(2) ?
C10 Co1 C4 C3 . . . . -162.01(18) ?
C8 Co1 C4 C3 . . . . -78.6(2) ?
C6 Co1 C4 C3 . . . . 171.9(4) ?
C7 Co1 C4 C3 . . . . -48.0(4) ?
C5 Co1 C4 C3 . . . . 119.9(3) ?
C9 Co1 C4 C5 . . . . 119.02(18) ?
C2 Co1 C4 C5 . . . . -82.57(19) ?
C3 Co1 C4 C5 . . . . -119.9(3) ?
C1 Co1 C4 C5 . . . . -38.37(17) ?
C10 Co1 C4 C5 . . . . 78.1(2) ?
C8 Co1 C4 C5 . . . . 161.46(18) ?
C6 Co1 C4 C5 . . . . 52.0(5) ?
C7 Co1 C4 C5 . . . . -167.8(3) ?
C3 C4 C5 C1 . . . . -1.9(3) ?
Co1 C4 C5 C1 . . . . 57.90(18) ?
C3 C4 C5 P2 . . . . 176.3(2) ?
Co1 C4 C5 P2 . . . . -123.9(2) ?
C3 C4 C5 Co1 . . . . -59.8(2) ?
C2 C1 C5 C4 . . . . 1.3(3) ?
Co1 C1 C5 C4 . . . . -57.61(18) ?
C2 C1 C5 P2 . . . . -176.9(2) ?
Co1 C1 C5 P2 . . . . 124.2(2) ?
C2 C1 C5 Co1 . . . . 58.92(19) ?
C17 P2 C5 C4 . . . . -58.3(3) ?
C11 P2 C5 C4 . . . . -161.6(2) ?
Ru1 P2 C5 C4 . . . . 68.4(3) ?
C17 P2 C5 C1 . . . . 119.5(3) ?
C11 P2 C5 C1 . . . . 16.2(3) ?
Ru1 P2 C5 C1 . . . . -113.8(2) ?
C17 P2 C5 Co1 . . . . -148.2(2) ?
C11 P2 C5 Co1 . . . . 108.5(2) ?
Ru1 P2 C5 Co1 . . . . -21.6(2) ?
C9 Co1 C5 C4 . . . . -78.2(2) ?
C2 Co1 C5 C4 . . . . 81.1(2) ?
C3 Co1 C5 C4 . . . . 37.3(2) ?
C1 Co1 C5 C4 . . . . 118.5(3) ?
C10 Co1 C5 C4 . . . . -122.05(19) ?
C8 Co1 C5 C4 . . . . -41.1(4) ?
C6 Co1 C5 C4 . . . . -163.97(18) ?
C7 Co1 C5 C4 . . . . 159.1(4) ?
C4 Co1 C5 C1 . . . . -118.5(3) ?
C9 Co1 C5 C1 . . . . 163.36(17) ?
C2 Co1 C5 C1 . . . . -37.39(18) ?
C3 Co1 C5 C1 . . . . -81.22(19) ?
C10 Co1 C5 C1 . . . . 119.46(17) ?
C8 Co1 C5 C1 . . . . -159.5(3) ?
C6 Co1 C5 C1 . . . . 77.5(2) ?
C7 Co1 C5 C1 . . . . 40.6(5) ?
C4 Co1 C5 P2 . . . . 119.3(3) ?
C9 Co1 C5 P2 . . . . 41.2(2) ?
C2 Co1 C5 P2 . . . . -159.6(2) ?
C3 Co1 C5 P2 . . . . 156.6(2) ?
C1 Co1 C5 P2 . . . . -122.2(3) ?
C10 Co1 C5 P2 . . . . -2.7(2) ?
C8 Co1 C5 P2 . . . . 78.3(3) ?
C6 Co1 C5 P2 . . . . -44.6(3) ?
C7 Co1 C5 P2 . . . . -81.6(5) ?
C4 Co1 C6 C7 . . . . 153.4(4) ?
C9 Co1 C6 C7 . . . . 81.4(2) ?
C2 Co1 C6 C7 . . . . -78.0(2) ?
C3 Co1 C6 C7 . . . . -39.2(4) ?
C1 Co1 C6 C7 . . . . -122.32(19) ?
C10 Co1 C6 C7 . . . . 120.1(2) ?
C8 Co1 C6 C7 . . . . 37.07(19) ?
C5 Co1 C6 C7 . . . . -165.66(19) ?
C4 Co1 C6 C10 . . . . 33.2(5) ?
C9 Co1 C6 C10 . . . . -38.75(16) ?
C2 Co1 C6 C10 . . . . 161.84(16) ?
C3 Co1 C6 C10 . . . . -159.3(3) ?
C1 Co1 C6 C10 . . . . 117.57(16) ?
C8 Co1 C6 C10 . . . . -83.05(17) ?
C7 Co1 C6 C10 . . . . -120.1(2) ?
C5 Co1 C6 C10 . . . . 74.2(2) ?
C10 C6 C7 C8 . . . . -0.4(3) ?
Co1 C6 C7 C8 . . . . -58.8(2) ?
C10 C6 C7 Co1 . . . . 58.4(2) ?
C4 Co1 C7 C8 . . . . -44.2(4) ?
C9 Co1 C7 C8 . . . . 37.88(18) ?
C2 Co1 C7 C8 . . . . -120.2(2) ?
C3 Co1 C7 C8 . . . . -77.6(2) ?
C1 Co1 C7 C8 . . . . -161.08(19) ?
C10 Co1 C7 C8 . . . . 82.4(2) ?
C6 Co1 C7 C8 . . . . 119.9(3) ?
C5 Co1 C7 C8 . . . . 166.8(4) ?
C4 Co1 C7 C6 . . . . -164.2(3) ?
C9 Co1 C7 C6 . . . . -82.06(19) ?
C2 Co1 C7 C6 . . . . 119.8(2) ?
C3 Co1 C7 C6 . . . . 162.41(19) ?
C1 Co1 C7 C6 . . . . 79.0(2) ?
C10 Co1 C7 C6 . . . . -37.52(17) ?
C8 Co1 C7 C6 . . . . -119.9(3) ?
C5 Co1 C7 C6 . . . . 46.9(5) ?
C6 C7 C8 C9 . . . . 0.2(3) ?
Co1 C7 C8 C9 . . . . -58.6(2) ?
C6 C7 C8 Co1 . . . . 58.8(2) ?
C4 Co1 C8 C7 . . . . 158.90(19) ?
C9 Co1 C8 C7 . . . . -119.6(3) ?
C2 Co1 C8 C7 . . . . 77.4(2) ?
C3 Co1 C8 C7 . . . . 117.7(2) ?
C1 Co1 C8 C7 . . . . 52.5(5) ?
C10 Co1 C8 C7 . . . . -81.7(2) ?
C6 Co1 C8 C7 . . . . -37.45(19) ?
C5 Co1 C8 C7 . . . . -171.8(3) ?
C4 Co1 C8 C9 . . . . -81.5(2) ?
C2 Co1 C8 C9 . . . . -162.98(18) ?
C3 Co1 C8 C9 . . . . -122.74(19) ?
C1 Co1 C8 C9 . . . . 172.1(3) ?
C10 Co1 C8 C9 . . . . 37.92(17) ?
C6 Co1 C8 C9 . . . . 82.16(19) ?
C7 Co1 C8 C9 . . . . 119.6(3) ?
C5 Co1 C8 C9 . . . . -52.2(4) ?
C7 C8 C9 C10 . . . . 0.2(3) ?
Co1 C8 C9 C10 . . . . -59.22(19) ?
C7 C8 C9 Co1 . . . . 59.4(2) ?
C4 Co1 C9 C8 . . . . 114.87(18) ?
C2 Co1 C9 C8 . . . . 43.3(4) ?
C3 Co1 C9 C8 . . . . 73.8(2) ?
C1 Co1 C9 C8 . . . . -173.1(3) ?
C10 Co1 C9 C8 . . . . -119.5(2) ?
C6 Co1 C9 C8 . . . . -81.03(19) ?
C7 Co1 C9 C8 . . . . -37.16(18) ?
C5 Co1 C9 C8 . . . . 156.89(18) ?
C4 Co1 C9 C10 . . . . -125.59(17) ?
C2 Co1 C9 C10 . . . . 162.8(3) ?
C3 Co1 C9 C10 . . . . -166.69(17) ?
C1 Co1 C9 C10 . . . . -53.5(4) ?
C8 Co1 C9 C10 . . . . 119.5(2) ?
C6 Co1 C9 C10 . . . . 38.51(16) ?
C7 Co1 C9 C10 . . . . 82.38(18) ?
C5 Co1 C9 C10 . . . . -83.57(18) ?
C7 C6 C10 C9 . . . . 0.5(3) ?
Co1 C6 C10 C9 . . . . 59.32(19) ?
C7 C6 C10 P1 . . . . 178.5(2) ?
Co1 C6 C10 P1 . . . . -122.7(2) ?
C7 C6 C10 Co1 . . . . -58.8(2) ?
C8 C9 C10 C6 . . . . -0.4(3) ?
Co1 C9 C10 C6 . . . . -59.86(19) ?
C8 C9 C10 P1 . . . . -178.5(2) ?
Co1 C9 C10 P1 . . . . 122.1(2) ?
C8 C9 C10 Co1 . . . . 59.4(2) ?
C23 P1 C10 C6 . . . . -110.6(3) ?
C29 P1 C10 C6 . . . . -8.6(3) ?
Ru1 P1 C10 C6 . . . . 125.5(2) ?
C23 P1 C10 C9 . . . . 67.0(3) ?
C29 P1 C10 C9 . . . . 169.1(2) ?
Ru1 P1 C10 C9 . . . . -56.8(3) ?
C23 P1 C10 Co1 . . . . 156.09(19) ?
C29 P1 C10 Co1 . . . . -101.89(18) ?
Ru1 P1 C10 Co1 . . . . 32.2(2) ?
C4 Co1 C10 C6 . . . . -169.32(16) ?
C9 Co1 C10 C6 . . . . 118.0(2) ?
C2 Co1 C10 C6 . . . . -45.3(4) ?
C3 Co1 C10 C6 . . . . 153.7(3) ?
C1 Co1 C10 C6 . . . . -83.18(19) ?
C8 Co1 C10 C6 . . . . 80.39(17) ?
C7 Co1 C10 C6 . . . . 37.16(17) ?
C5 Co1 C10 C6 . . . . -126.45(16) ?
C4 Co1 C10 C9 . . . . 72.63(19) ?
C2 Co1 C10 C9 . . . . -163.3(3) ?
C3 Co1 C10 C9 . . . . 35.7(4) ?
C1 Co1 C10 C9 . . . . 158.77(17) ?
C8 Co1 C10 C9 . . . . -37.66(17) ?
C6 Co1 C10 C9 . . . . -118.0(2) ?
C7 Co1 C10 C9 . . . . -80.89(18) ?
C5 Co1 C10 C9 . . . . 115.51(17) ?
C4 Co1 C10 P1 . . . . -45.6(2) ?
C9 Co1 C10 P1 . . . . -118.3(3) ?
C2 Co1 C10 P1 . . . . 78.4(4) ?
C3 Co1 C10 P1 . . . . -82.6(4) ?
C1 Co1 C10 P1 . . . . 40.5(2) ?
C8 Co1 C10 P1 . . . . -155.9(2) ?
C6 Co1 C10 P1 . . . . 123.7(3) ?
C7 Co1 C10 P1 . . . . 160.8(2) ?
C5 Co1 C10 P1 . . . . -2.8(2) ?
C5 P2 C11 C16 . . . . 62.5(2) ?
C17 P2 C11 C16 . . . . -37.7(2) ?
Ru1 P2 C11 C16 . . . . -168.25(18) ?
C5 P2 C11 C12 . . . . -166.4(2) ?
C17 P2 C11 C12 . . . . 93.5(2) ?
Ru1 P2 C11 C12 . . . . -37.1(2) ?
C16 C11 C12 C13 . . . . -55.5(3) ?
P2 C11 C12 C13 . . . . 170.6(2) ?
C11 C12 C13 C14 . . . . 54.8(4) ?
C12 C13 C14 C15 . . . . -55.2(4) ?
C13 C14 C15 C16 . . . . 56.0(4) ?
C12 C11 C16 C15 . . . . 56.8(3) ?
P2 C11 C16 C15 . . . . -169.9(2) ?
C14 C15 C16 C11 . . . . -57.0(3) ?
C5 P2 C17 C22 . . . . 74.2(3) ?
C11 P2 C17 C22 . . . . 174.1(3) ?
Ru1 P2 C17 C22 . . . . -53.6(3) ?
C5 P2 C17 C18 . . . . -159.4(3) ?
C11 P2 C17 C18 . . . . -59.5(3) ?
Ru1 P2 C17 C18 . . . . 72.8(3) ?
C22 C17 C18 C19 . . . . -58.4(4) ?
P2 C17 C18 C19 . . . . 170.5(3) ?
C17 C18 C19 C20 . . . . 57.4(5) ?
C18 C19 C20 C21 . . . . -53.9(5) ?
C19 C20 C21 C22 . . . . 53.8(5) ?
C18 C17 C22 C21 . . . . 57.8(4) ?
P2 C17 C22 C21 . . . . -173.1(3) ?
C20 C21 C22 C17 . . . . -56.8(5) ?
C10 P1 C23 C24 . . . . -88.4(3) ?
C29 P1 C23 C24 . . . . 168.8(3) ?
Ru1 P1 C23 C24 . . . . 39.2(3) ?
C10 P1 C23 C28 . . . . 44.8(3) ?
C29 P1 C23 C28 . . . . -58.0(3) ?
Ru1 P1 C23 C28 . . . . 172.4(2) ?
C28 C23 C24 C25 . . . . 59.1(4) ?
P1 C23 C24 C25 . . . . -165.0(3) ?
C23 C24 C25 C26 . . . . -57.1(5) ?
C24 C25 C26 C27 . . . . 50.3(6) ?
C25 C26 C27 C28 . . . . -45.6(6) ?
C26 C27 C28 C23 . . . . 47.5(5) ?
C24 C23 C28 C27 . . . . -54.3(5) ?
P1 C23 C28 C27 . . . . 169.7(3) ?
C10 P1 C29 C30 . . . . -155.5(2) ?
C23 P1 C29 C30 . . . . -54.7(3) ?
Ru1 P1 C29 C30 . . . . 70.8(2) ?
C10 P1 C29 C34 . . . . 79.6(2) ?
C23 P1 C29 C34 . . . . -179.7(2) ?
Ru1 P1 C29 C34 . . . . -54.1(2) ?
C34 C29 C30 C31 . . . . -53.5(4) ?
P1 C29 C30 C31 . . . . -179.8(2) ?
C29 C30 C31 C32 . . . . 54.9(4) ?
C30 C31 C32 C33 . . . . -55.5(4) ?
C31 C32 C33 C34 . . . . 56.5(4) ?
C32 C33 C34 C29 . . . . -56.6(4) ?
C30 C29 C34 C33 . . . . 54.5(4) ?
P1 C29 C34 C33 . . . . -178.1(2) ?
C39 Ru1 C35 C36 . . . . 117.8(4) ?
C38 Ru1 C35 C36 . . . . 80.1(3) ?
C37 Ru1 C35 C36 . . . . 38.5(2) ?
P2 Ru1 C35 C36 . . . . -127.5(2) ?
P1 Ru1 C35 C36 . . . . -21.7(3) ?
Cl1 Ru1 C35 C36 . . . . 140.5(2) ?
C36 Ru1 C35 C39 . . . . -117.8(4) ?
C38 Ru1 C35 C39 . . . . -37.7(2) ?
C37 Ru1 C35 C39 . . . . -79.3(3) ?
P2 Ru1 C35 C39 . . . . 114.7(2) ?
P1 Ru1 C35 C39 . . . . -139.5(2) ?
Cl1 Ru1 C35 C39 . . . . 22.7(3) ?
C39 C35 C36 C37 . . . . -0.4(4) ?
Ru1 C35 C36 C37 . . . . -62.9(2) ?
C39 C35 C36 Ru1 . . . . 62.5(2) ?
C39 Ru1 C36 C35 . . . . -37.5(2) ?
C38 Ru1 C36 C35 . . . . -79.7(3) ?
C37 Ru1 C36 C35 . . . . -116.2(4) ?
P2 Ru1 C36 C35 . . . . 60.7(2) ?
P1 Ru1 C36 C35 . . . . 165.3(2) ?
Cl1 Ru1 C36 C35 . . . . -80.1(3) ?
C35 Ru1 C36 C37 . . . . 116.2(4) ?
C39 Ru1 C36 C37 . . . . 78.8(3) ?
C38 Ru1 C36 C37 . . . . 36.6(2) ?
P2 Ru1 C36 C37 . . . . 176.9(2) ?
P1 Ru1 C36 C37 . . . . -78.5(2) ?
Cl1 Ru1 C36 C37 . . . . 36.1(4) ?
C35 C36 C37 C38 . . . . 0.4(4) ?
Ru1 C36 C37 C38 . . . . -62.2(2) ?
C35 C36 C37 Ru1 . . . . 62.7(2) ?
C35 Ru1 C37 C38 . . . . 80.0(3) ?
C36 Ru1 C37 C38 . . . . 117.6(4) ?
C39 Ru1 C37 C38 . . . . 37.2(2) ?
P2 Ru1 C37 C38 . . . . 111.6(3) ?
P1 Ru1 C37 C38 . . . . -135.6(2) ?
Cl1 Ru1 C37 C38 . . . . -43.4(3) ?
C35 Ru1 C37 C36 . . . . -37.6(2) ?
C39 Ru1 C37 C36 . . . . -80.4(2) ?
C38 Ru1 C37 C36 . . . . -117.6(4) ?
P2 Ru1 C37 C36 . . . . -6.1(4) ?
P1 Ru1 C37 C36 . . . . 106.7(2) ?
Cl1 Ru1 C37 C36 . . . . -161.0(2) ?
C36 C37 C38 C39 . . . . -0.3(4) ?
Ru1 C37 C38 C39 . . . . -61.9(2) ?
C36 C37 C38 Ru1 . . . . 61.5(2) ?
C35 Ru1 C38 C37 . . . . -79.9(3) ?
C36 Ru1 C38 C37 . . . . -37.9(2) ?
C39 Ru1 C38 C37 . . . . -118.0(3) ?
P2 Ru1 C38 C37 . . . . -132.3(2) ?
P1 Ru1 C38 C37 . . . . 52.2(3) ?
Cl1 Ru1 C38 C37 . . . . 141.9(2) ?
C35 Ru1 C38 C39 . . . . 38.1(2) ?
C36 Ru1 C38 C39 . . . . 80.2(2) ?
C37 Ru1 C38 C39 . . . . 118.0(3) ?
P2 Ru1 C38 C39 . . . . -14.3(3) ?
P1 Ru1 C38 C39 . . . . 170.20(19) ?
Cl1 Ru1 C38 C39 . . . . -100.1(2) ?
C37 C38 C39 C35 . . . . 0.1(4) ?
Ru1 C38 C39 C35 . . . . -62.2(2) ?
C37 C38 C39 Ru1 . . . . 62.3(2) ?
C36 C35 C39 C38 . . . . 0.2(4) ?
Ru1 C35 C39 C38 . . . . 62.8(2) ?
C36 C35 C39 Ru1 . . . . -62.6(2) ?
C35 Ru1 C39 C38 . . . . -116.5(4) ?
C36 Ru1 C39 C38 . . . . -79.6(3) ?
C37 Ru1 C39 C38 . . . . -36.6(2) ?
P2 Ru1 C39 C38 . . . . 171.3(2) ?
P1 Ru1 C39 C38 . . . . -20.1(4) ?
Cl1 Ru1 C39 C38 . . . . 80.8(2) ?
C36 Ru1 C39 C35 . . . . 36.9(2) ?
C38 Ru1 C39 C35 . . . . 116.5(4) ?
C37 Ru1 C39 C35 . . . . 79.9(3) ?
P2 Ru1 C39 C35 . . . . -72.2(2) ?
P1 Ru1 C39 C35 . . . . 96.4(3) ?
Cl1 Ru1 C39 C35 . . . . -162.8(2) ?
