#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/83/2208373.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_2208373
loop_
_publ_author_name
'Wu, Xiang-Hua'
'Ren, Yong'
'Yu, Guang-Ao'
'Liu, Sheng-Hua'
_publ_section_title
;[1,1'-Bis(diphenylphosphino)cobaltocenium-κ²P,P']chloro(η⁵-pentamethylcyclopentadienyl)ruthenium(II)
 hexafluorophosphate dichloromethane hemisolvate
;
_journal_coeditor_code           LH6573
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m426
_journal_page_last               m428
_journal_paper_doi               10.1107/S1600536806003011
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Co Ru (C10 H20) Cl (C17 H14 P)2] P F6, 0.5CH2 Cl2'
_chemical_formula_moiety         'C44 H43 Cl Co P2 Ru +, P F6 -, 0.5C H2 Cl2'
_chemical_formula_sum            'C44.5 H44 Cl2 Co F6 P3 Ru'
_chemical_formula_weight         1016.61
_chemical_name_systematic
;
[1,1'-Bis(diphenylphosphino)cobaltocenium-κ²P,P']chloro(η⁵-
pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate dichloromethane
hemisolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.629(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.0859(16)
_cell_length_b                   19.8170(16)
_cell_length_c                   20.7479(16)
_cell_measurement_reflns_used    9389
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      2.25
_cell_volume                     8701.1(12)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART-CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0678
_diffrn_reflns_av_sigmaI/netI    0.0553
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            28478
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.0
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4120
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.820
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9465
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0877P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1379
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                7551
_reflns_number_total             9465
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6573.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      'C 2/c'
_cod_original_formula_sum        'C44.50 H44 Cl2 Co F6 P3 Ru'
_cod_database_code               2208373
_cod_database_fobs_code          2208373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_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_type_symbol
C1 0.7722(2) 0.4261(2) 0.7050(2) 0.0571(11) Uani d . 1 C
H1A 0.7515 0.4684 0.7070 0.086 Uiso calc R 1 H
H1B 0.7410 0.3912 0.6908 0.086 Uiso calc R 1 H
H1C 0.7965 0.4296 0.6735 0.086 Uiso calc R 1 H
C2 0.8113(2) 0.2773(2) 0.7596(2) 0.0636(13) Uani d . 1 C
H2A 0.7716 0.2846 0.7264 0.095 Uiso calc R 1 H
H2B 0.8063 0.2439 0.7912 0.095 Uiso calc R 1 H
H2C 0.8419 0.2618 0.7381 0.095 Uiso calc R 1 H
C3 0.9243(2) 0.2885(2) 0.8913(3) 0.0642(13) Uani d . 1 C
H3A 0.9523 0.3035 0.9333 0.096 Uiso calc R 1 H
H3B 0.9486 0.2700 0.8638 0.096 Uiso calc R 1 H
H3C 0.8964 0.2546 0.8995 0.096 Uiso calc R 1 H
C4 0.95359(19) 0.4463(3) 0.9214(2) 0.0633(13) Uani d . 1 C
H4A 0.9697 0.4148 0.9573 0.095 Uiso calc R 1 H
H4B 0.9411 0.4870 0.9391 0.095 Uiso calc R 1 H
H4C 0.9858 0.4565 0.9001 0.095 Uiso calc R 1 H
C5 0.8562(2) 0.5303(2) 0.8115(2) 0.0563(11) Uani d . 1 C
H5A 0.8938 0.5408 0.7992 0.085 Uiso calc R 1 H
H5B 0.8571 0.5531 0.8526 0.085 Uiso calc R 1 H
H5C 0.8198 0.5447 0.7764 0.085 Uiso calc R 1 H
C6 0.81530(19) 0.4092(2) 0.77371(19) 0.0412(9) Uani d . 1 C
C7 0.83359(19) 0.34199(19) 0.7959(2) 0.0433(9) Uani d . 1 C
C8 0.88609(18) 0.3474(2) 0.8555(2) 0.0441(9) Uani d . 1 C
C9 0.89776(17) 0.4163(2) 0.8709(2) 0.0426(9) Uani d . 1 C
C10 0.85268(17) 0.45520(18) 0.82132(19) 0.0395(8) Uani d . 1 C
C11 0.87050(17) 0.4284(2) 1.04476(18) 0.0412(9) Uani d . 1 C
C12 0.90636(19) 0.3716(2) 1.0415(2) 0.0504(10) Uani d . 1 C
H12 0.8975 0.3471 1.0017 0.061 Uiso calc R 1 H
C13 0.9550(2) 0.3505(3) 1.0962(2) 0.0643(12) Uani d . 1 C
H13 0.9783 0.3121 1.0932 0.077 Uiso calc R 1 H
C14 0.9686(2) 0.3876(3) 1.1559(2) 0.0720(15) Uani d . 1 C
H14 1.0016 0.3744 1.1928 0.086 Uiso calc R 1 H
C15 0.9337(2) 0.4428(3) 1.1600(2) 0.0670(14) Uani d . 1 C
H15 0.9430 0.4672 1.1999 0.080 Uiso calc R 1 H
C16 0.8841(2) 0.4638(2) 1.1052(2) 0.0567(11) Uani d . 1 C
H16 0.8602 0.5013 1.1091 0.068 Uiso calc R 1 H
C17 0.81034(18) 0.54429(18) 0.96869(18) 0.0387(8) Uani d . 1 C
C18 0.8670(2) 0.5783(2) 0.9945(2) 0.0538(11) Uani d . 1 C
H18 0.9037 0.5543 1.0145 0.065 Uiso calc R 1 H
C19 0.8688(2) 0.6480(2) 0.9904(3) 0.0710(14) Uani d . 1 C
H19 0.9068 0.6705 1.0084 0.085 Uiso calc R 1 H
C20 0.8159(3) 0.6837(2) 0.9606(3) 0.0731(15) Uani d . 1 C
H20 0.8180 0.7305 0.9578 0.088 Uiso calc R 1 H
C21 0.7597(2) 0.6514(2) 0.9347(2) 0.0603(12) Uani d . 1 C
H21 0.7234 0.6761 0.9147 0.072 Uiso calc R 1 H
C22 0.7565(2) 0.5818(2) 0.93815(19) 0.0442(9) Uani d . 1 C
H22 0.7181 0.5600 0.9199 0.053 Uiso calc R 1 H
C23 0.74446(16) 0.44274(17) 1.01726(17) 0.0351(8) Uani d . 1 C
C24 0.73746(18) 0.38087(19) 1.05133(19) 0.0418(9) Uani d . 1 C
H24 0.7608 0.3389 1.0509 0.050 Uiso calc R 1 H
C25 0.6906(2) 0.3911(2) 1.0848(2) 0.0496(10) Uani d . 1 C
H25 0.6759 0.3571 1.1112 0.060 Uiso calc R 1 H
C26 0.6679(2) 0.4571(2) 1.0730(2) 0.0507(10) Uani d . 1 C
H26 0.6348 0.4773 1.0896 0.061 Uiso calc R 1 H
C27 0.70113(18) 0.48984(19) 1.03214(19) 0.0428(9) Uani d . 1 C
H27 0.6943 0.5363 1.0156 0.051 Uiso calc R 1 H
C28 0.63710(16) 0.38478(17) 0.88463(17) 0.0333(7) Uani d . 1 C
C29 0.59421(17) 0.4340(2) 0.89517(19) 0.0430(9) Uani d . 1 C
H29 0.5893 0.4798 0.8765 0.052 Uiso calc R 1 H
C30 0.55975(19) 0.4066(2) 0.9369(2) 0.0538(11) Uani d . 1 C
H30 0.5272 0.4299 0.9521 0.065 Uiso calc R 1 H
C31 0.58153(19) 0.3403(2) 0.9541(2) 0.0523(10) Uani d . 1 C
H31 0.5667 0.3096 0.9833 0.063 Uiso calc R 1 H
C32 0.62962(18) 0.32604(19) 0.92268(18) 0.0422(9) Uani d . 1 C
H32 0.6533 0.2837 0.9261 0.051 Uiso calc R 1 H
C33 0.65904(17) 0.32505(19) 0.77038(18) 0.0399(8) Uani d . 1 C
C34 0.6348(2) 0.3357(2) 0.7021(2) 0.0521(10) Uani d . 1 C
H34 0.6311 0.3793 0.6849 0.063 Uiso calc R 1 H
C35 0.6156(3) 0.2799(3) 0.6584(2) 0.0738(15) Uani d . 1 C
H35 0.5996 0.2872 0.6124 0.089 Uiso calc R 1 H
C36 0.6200(3) 0.2166(3) 0.6824(3) 0.0709(14) Uani d . 1 C
H36 0.6064 0.1805 0.6532 0.085 Uiso calc R 1 H
C37 0.6449(2) 0.2051(2) 0.7509(3) 0.0635(13) Uani d . 1 C
H37 0.6489 0.1614 0.7678 0.076 Uiso calc R 1 H
C38 0.6639(2) 0.2598(2) 0.7942(2) 0.0496(10) Uani d . 1 C
H38 0.6801 0.2520 0.8401 0.059 Uiso calc R 1 H
C39 0.65399(16) 0.47018(18) 0.78400(17) 0.0362(8) Uani d . 1 C
C40 0.69141(18) 0.52656(19) 0.78776(19) 0.0419(9) Uani d . 1 C
H40 0.7339 0.5243 0.8120 0.050 Uiso calc R 1 H
C41 0.6675(2) 0.5862(2) 0.7565(2) 0.0556(11) Uani d . 1 C
H41 0.6935 0.6239 0.7605 0.067 Uiso calc R 1 H
C42 0.6048(2) 0.5896(2) 0.7193(2) 0.0619(13) Uani d . 1 C
H42 0.5884 0.6293 0.6972 0.074 Uiso calc R 1 H
C43 0.5664(2) 0.5332(2) 0.7151(2) 0.0590(12) Uani d . 1 C
H43 0.5241 0.5355 0.6901 0.071 Uiso calc R 1 H
C44 0.59003(18) 0.4744(2) 0.74713(19) 0.0493(10) Uani d . 1 C
H44 0.5637 0.4372 0.7445 0.059 Uiso calc R 1 H
C45 0.5000 0.8038(10) 0.7500 0.248(11) Uani d S 1 C
H45A 0.4769 0.7757 0.7731 0.298 Uiso calc PR 0.50 H
H45B 0.5231 0.7757 0.7269 0.298 Uiso calc PR 0.50 H
Cl1 0.78645(4) 0.28894(4) 0.93425(5) 0.0409(2) Uani d . 1 Cl
Cl2 0.5520(2) 0.8654(3) 0.8072(3) 0.314(3) Uani d . 1 Cl
Co1 0.65440(2) 0.40678(2) 0.98453(3) 0.03609(14) Uani d . 1 Co
F1 0.5888(2) 0.5910(2) 0.9061(2) 0.1431(18) Uani d . 1 F
F2 0.63084(19) 0.6539(3) 0.9887(4) 0.207(3) Uani d . 1 F
F3 0.5625(3) 0.5862(3) 0.9981(4) 0.232(4) Uani d . 1 F
F4 0.53906(16) 0.69528(19) 0.99310(19) 0.1082(12) Uani d . 1 F
F5 0.4938(3) 0.6264(4) 0.9183(4) 0.243(4) Uani d . 1 F
F6 0.5594(5) 0.6929(4) 0.8979(4) 0.317(6) Uani d . 1 F
P1 0.80407(4) 0.45218(4) 0.97122(4) 0.0319(2) Uani d . 1 P
P2 0.69018(4) 0.39458(4) 0.83042(4) 0.0299(2) Uani d . 1 P
P3 0.56308(6) 0.64186(6) 0.94953(7) 0.0587(3) Uani d . 1 P
Ru1 0.798633(12) 0.391664(13) 0.873872(13) 0.02802(10) Uani d . 1 Ru
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'
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'
F F 0.0171 0.0103 '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
C6 C1 H1A . . 109.5 ?
C6 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C6 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
C7 C2 H2A . . 109.5 ?
C7 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
C7 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
C8 C3 H3A . . 109.5 ?
C8 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C8 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C9 C4 H4A . . 109.5 ?
C9 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C9 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C10 C5 H5A . . 109.5 ?
C10 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C10 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C10 C6 C7 . . 108.6(3) ?
C10 C6 C1 . . 126.7(4) ?
C7 C6 C1 . . 123.8(4) ?
C10 C6 Ru1 . . 70.8(2) ?
C7 C6 Ru1 . . 70.3(2) ?
C1 C6 Ru1 . . 133.2(3) ?
C6 C7 C8 . . 107.0(3) ?
C6 C7 C2 . . 127.9(4) ?
C8 C7 C2 . . 124.4(4) ?
C6 C7 Ru1 . . 72.3(2) ?
C8 C7 Ru1 . . 72.7(2) ?
C2 C7 Ru1 . . 128.0(3) ?
C9 C8 C7 . . 108.5(3) ?
C9 C8 C3 . . 126.7(4) ?
C7 C8 C3 . . 124.6(4) ?
C9 C8 Ru1 . . 72.2(2) ?
C7 C8 Ru1 . . 69.8(2) ?
C3 C8 Ru1 . . 127.3(3) ?
C8 C9 C10 . . 108.3(3) ?
C8 C9 C4 . . 127.3(4) ?
C10 C9 C4 . . 123.5(4) ?
C8 C9 Ru1 . . 71.4(2) ?
C10 C9 Ru1 . . 69.9(2) ?
C4 C9 Ru1 . . 132.7(3) ?
C6 C10 C9 . . 107.4(3) ?
C6 C10 C5 . . 125.5(4) ?
C9 C10 C5 . . 125.2(4) ?
C6 C10 Ru1 . . 72.0(2) ?
C9 C10 Ru1 . . 72.8(2) ?
C5 C10 Ru1 . . 132.9(3) ?
C12 C11 C16 . . 118.2(4) ?
C12 C11 P1 . . 119.7(3) ?
C16 C11 P1 . . 122.0(3) ?
C13 C12 C11 . . 121.6(4) ?
C13 C12 H12 . . 119.2 ?
C11 C12 H12 . . 119.2 ?
C12 C13 C14 . . 119.1(5) ?
C12 C13 H13 . . 120.4 ?
C14 C13 H13 . . 120.4 ?
C15 C14 C13 . . 119.9(4) ?
C15 C14 H14 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C14 C15 C16 . . 121.1(4) ?
C14 C15 H15 . . 119.4 ?
C16 C15 H15 . . 119.4 ?
C11 C16 C15 . . 120.0(4) ?
C11 C16 H16 . . 120.0 ?
C15 C16 H16 . . 120.0 ?
C18 C17 C22 . . 118.3(4) ?
C18 C17 P1 . . 122.7(3) ?
C22 C17 P1 . . 118.9(3) ?
C19 C18 C17 . . 120.0(4) ?
C19 C18 H18 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C20 C19 C18 . . 120.9(4) ?
C20 C19 H19 . . 119.6 ?
C18 C19 H19 . . 119.6 ?
C19 C20 C21 . . 120.1(4) ?
C19 C20 H20 . . 119.9 ?
C21 C20 H20 . . 119.9 ?
C20 C21 C22 . . 120.2(4) ?
C20 C21 H21 . . 119.9 ?
C22 C21 H21 . . 119.9 ?
C21 C22 C17 . . 120.4(4) ?
C21 C22 H22 . . 119.8 ?
C17 C22 H22 . . 119.8 ?
C27 C23 C24 . . 106.0(3) ?
C27 C23 P1 . . 131.7(3) ?
C24 C23 P1 . . 122.1(3) ?
C27 C23 Co1 . . 69.6(2) ?
C24 C23 Co1 . . 68.6(2) ?
P1 C23 Co1 . . 129.52(18) yes
C25 C24 C23 . . 108.3(3) ?
C25 C24 Co1 . . 69.7(2) ?
C23 C24 Co1 . . 69.7(2) ?
C25 C24 H24 . . 125.9 ?
C23 C24 H24 . . 125.9 ?
Co1 C24 H24 . . 125.9 ?
C26 C25 C24 . . 108.9(3) ?
C26 C25 Co1 . . 70.1(2) ?
C24 C25 Co1 . . 69.4(2) ?
C26 C25 H25 . . 125.6 ?
C24 C25 H25 . . 125.6 ?
Co1 C25 H25 . . 125.6 ?
C25 C26 C27 . . 108.1(3) ?
C25 C26 Co1 . . 69.7(2) ?
C27 C26 Co1 . . 69.8(2) ?
C25 C26 H26 . . 125.9 ?
C27 C26 H26 . . 125.9 ?
Co1 C26 H26 . . 125.9 ?
C26 C27 C23 . . 108.7(3) ?
C26 C27 Co1 . . 69.2(2) ?
C23 C27 Co1 . . 69.3(2) ?
C26 C27 H27 . . 125.6 ?
C23 C27 H27 . . 125.6 ?
Co1 C27 H27 . . 125.6 ?
C29 C28 C32 . . 106.5(3) ?
C29 C28 P2 . . 126.0(3) ?
C32 C28 P2 . . 127.5(3) ?
C29 C28 Co1 . . 68.7(2) ?
C32 C28 Co1 . . 68.6(2) ?
P2 C28 Co1 . . 128.77(18) yes
C30 C29 C28 . . 109.2(4) ?
C30 C29 Co1 . . 70.3(2) ?
C28 C29 Co1 . . 70.4(2) ?
C30 C29 H29 . . 125.4 ?
C28 C29 H29 . . 125.4 ?
Co1 C29 H29 . . 125.4 ?
C31 C30 C29 . . 108.0(4) ?
C31 C30 Co1 . . 69.6(2) ?
C29 C30 Co1 . . 68.9(2) ?
C31 C30 H30 . . 126.0 ?
C29 C30 H30 . . 126.0 ?
Co1 C30 H30 . . 126.0 ?
C30 C31 C32 . . 108.3(3) ?
C30 C31 Co1 . . 70.0(2) ?
C32 C31 Co1 . . 69.1(2) ?
C30 C31 H31 . . 125.8 ?
C32 C31 H31 . . 125.8 ?
Co1 C31 H31 . . 125.8 ?
C31 C32 C28 . . 107.9(3) ?
C31 C32 Co1 . . 69.8(2) ?
C28 C32 Co1 . . 69.9(2) ?
C31 C32 H32 . . 126.1 ?
C28 C32 H32 . . 126.1 ?
Co1 C32 H32 . . 126.0 ?
C38 C33 C34 . . 118.6(4) ?
C38 C33 P2 . . 118.8(3) ?
C34 C33 P2 . . 122.5(3) ?
C33 C34 C35 . . 119.7(4) ?
C33 C34 H34 . . 120.1 ?
C35 C34 H34 . . 120.1 ?
C36 C35 C34 . . 121.0(4) ?
C36 C35 H35 . . 119.5 ?
C34 C35 H35 . . 119.5 ?
C35 C36 C37 . . 119.8(4) ?
C35 C36 H36 . . 120.1 ?
C37 C36 H36 . . 120.1 ?
C36 C37 C38 . . 119.5(5) ?
C36 C37 H37 . . 120.3 ?
C38 C37 H37 . . 120.3 ?
C33 C38 C37 . . 121.4(4) ?
C33 C38 H38 . . 119.3 ?
C37 C38 H38 . . 119.3 ?
C40 C39 C44 . . 118.4(3) ?
C40 C39 P2 . . 117.9(3) ?
C44 C39 P2 . . 123.6(3) ?
C41 C40 C39 . . 121.7(4) ?
C41 C40 H40 . . 119.1 ?
C39 C40 H40 . . 119.1 ?
C40 C41 C42 . . 119.5(4) ?
C40 C41 H41 . . 120.2 ?
C42 C41 H41 . . 120.2 ?
C41 C42 C43 . . 119.5(4) ?
C41 C42 H42 . . 120.3 ?
C43 C42 H42 . . 120.3 ?
C44 C43 C42 . . 120.9(4) ?
C44 C43 H43 . . 119.6 ?
C42 C43 H43 . . 119.6 ?
C43 C44 C39 . . 120.0(4) ?
C43 C44 H44 . . 120.0 ?
C39 C44 H44 . . 120.0 ?
Cl2 C45 Cl2 . 2_656 97.6(11) ?
Cl2 C45 H45A . . 112.2 ?
Cl2 C45 H45A 2_656 . 112.2 ?
Cl2 C45 H45B . . 112.2 ?
Cl2 C45 H45B 2_656 . 112.2 ?
H45A C45 H45B . . 109.8 ?
C29 Co1 C24 . . 157.73(15) ?
C29 Co1 C32 . . 69.06(16) ?
C24 Co1 C32 . . 105.14(16) ?
C29 Co1 C25 . . 160.86(17) ?
C24 Co1 C25 . . 40.92(16) ?
C32 Co1 C25 . . 118.98(16) ?
C29 Co1 C26 . . 125.78(17) ?
C24 Co1 C26 . . 68.66(17) ?
C32 Co1 C26 . . 154.41(16) ?
C25 Co1 C26 . . 40.23(16) ?
C29 Co1 C31 . . 68.56(17) ?
C24 Co1 C31 . . 121.99(17) ?
C32 Co1 C31 . . 41.08(15) ?
C25 Co1 C31 . . 105.28(17) ?
C26 Co1 C31 . . 119.73(16) ?
C29 Co1 C23 . . 122.36(15) ?
C24 Co1 C23 . . 41.70(14) ?
C32 Co1 C23 . . 123.25(15) ?
C25 Co1 C23 . . 69.57(16) ?
C26 Co1 C23 . . 69.55(15) ?
C31 Co1 C23 . . 159.98(17) ?
C29 Co1 C30 . . 40.79(16) ?
C24 Co1 C30 . . 158.97(17) ?
C32 Co1 C30 . . 68.79(17) ?
C25 Co1 C30 . . 123.01(18) ?
C26 Co1 C30 . . 107.65(18) ?
C31 Co1 C30 . . 40.43(17) ?
C23 Co1 C30 . . 158.30(17) ?
C29 Co1 C27 . . 109.69(16) ?
C24 Co1 C27 . . 68.87(16) ?
C32 Co1 C27 . . 161.98(14) ?
C25 Co1 C27 . . 68.33(16) ?
C26 Co1 C27 . . 40.95(15) ?
C31 Co1 C27 . . 156.53(16) ?
C23 Co1 C27 . . 41.11(14) ?
C30 Co1 C27 . . 122.81(17) ?
C29 Co1 C28 . . 40.89(14) ?
C24 Co1 C28 . . 120.67(15) ?
C32 Co1 C28 . . 41.51(13) ?
C25 Co1 C28 . . 155.78(16) ?
C26 Co1 C28 . . 162.92(16) ?
C31 Co1 C28 . . 69.26(15) ?
C23 Co1 C28 . . 107.09(14) yes
C30 Co1 C28 . . 68.93(16) ?
C27 Co1 C28 . . 125.77(14) ?
C17 P1 C23 . . 100.76(16) ?
C17 P1 C11 . . 103.23(18) ?
C23 P1 C11 . . 93.56(16) ?
C17 P1 Ru1 . . 118.36(12) yes
C23 P1 Ru1 . . 122.09(12) yes
C11 P1 Ru1 . . 114.66(13) yes
C39 P2 C28 . . 98.51(16) ?
C39 P2 C33 . . 103.42(18) ?
C28 P2 C33 . . 98.78(16) ?
C39 P2 Ru1 . . 118.23(12) yes
C28 P2 Ru1 . . 121.80(12) yes
C33 P2 Ru1 . . 112.86(12) yes
F6 P3 F3 . . 175.1(6) ?
F6 P3 F2 . . 97.1(6) ?
F3 P3 F2 . . 87.2(4) ?
F6 P3 F5 . . 89.4(6) ?
F3 P3 F5 . . 86.4(5) ?
F2 P3 F5 . . 172.8(5) ?
F6 P3 F1 . . 88.7(3) ?
F3 P3 F1 . . 89.3(3) ?
F2 P3 F1 . . 86.8(3) ?
F5 P3 F1 . . 96.4(3) ?
F6 P3 F4 . . 89.9(3) ?
F3 P3 F4 . . 92.2(3) ?
F2 P3 F4 . . 91.7(2) ?
F5 P3 F4 . . 85.3(3) ?
F1 P3 F4 . . 177.8(3) ?
C7 Ru1 C10 . . 62.92(14) ?
C7 Ru1 C6 . . 37.43(13) ?
C10 Ru1 C6 . . 37.17(14) ?
C7 Ru1 C8 . . 37.53(14) ?
C10 Ru1 C8 . . 61.99(14) ?
C6 Ru1 C8 . . 61.71(14) ?
C7 Ru1 C9 . . 62.16(15) ?
C10 Ru1 C9 . . 37.31(13) ?
C6 Ru1 C9 . . 61.55(15) ?
C8 Ru1 C9 . . 36.39(14) ?
C7 Ru1 P2 . . 105.42(11) ?
C10 Ru1 P2 . . 115.94(10) ?
C6 Ru1 P2 . . 93.53(11) ?
C8 Ru1 P2 . . 142.09(11) ?
C9 Ru1 P2 . . 152.81(10) ?
C7 Ru1 P1 . . 157.44(11) ?
C10 Ru1 P1 . . 103.45(10) ?
C6 Ru1 P1 . . 138.24(10) ?
C8 Ru1 P1 . . 121.02(11) ?
C9 Ru1 P1 . . 95.90(11) ?
P2 Ru1 P1 . . 96.69(3) yes
C7 Ru1 Cl1 . . 96.71(10) ?
C10 Ru1 Cl1 . . 151.15(10) ?
C6 Ru1 Cl1 . . 132.53(10) ?
C8 Ru1 Cl1 . . 89.31(10) ?
C9 Ru1 Cl1 . . 116.29(10) ?
P2 Ru1 Cl1 . . 88.10(3) yes
P1 Ru1 Cl1 . . 88.29(3) yes
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
C1 C6 . 1.508(5) yes
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
C2 C7 . 1.497(6) yes
C2 H2A . 0.9600 ?
C2 H2B . 0.9600 ?
C2 H2C . 0.9600 ?
C3 C8 . 1.505(5) yes
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 C9 . 1.494(6) yes
C4 H4A . 0.9600 ?
C4 H4B . 0.9600 ?
C4 H4C . 0.9600 ?
C5 C10 . 1.506(5) yes
C5 H5A . 0.9600 ?
C5 H5B . 0.9600 ?
C5 H5C . 0.9600 ?
C6 C10 . 1.422(5) ?
C6 C7 . 1.429(5) ?
C6 Ru1 . 2.239(4) ?
C7 C8 . 1.437(6) ?
C7 Ru1 . 2.213(4) ?
C8 C9 . 1.409(6) ?
C8 Ru1 . 2.251(4) ?
C9 C10 . 1.435(5) ?
C9 Ru1 . 2.261(4) ?
C10 Ru1 . 2.223(3) ?
C11 C12 . 1.389(6) ?
C11 C16 . 1.392(6) ?
C11 P1 . 1.850(4) yes
C12 C13 . 1.385(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.398(7) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.354(7) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.398(6) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
C17 C18 . 1.387(5) ?
C17 C22 . 1.392(5) ?
C17 P1 . 1.833(4) yes
C18 C19 . 1.384(6) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.355(7) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.364(7) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.382(6) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C27 . 1.432(5) ?
C23 C24 . 1.445(5) ?
C23 P1 . 1.844(4) yes
C23 Co1 . 2.038(3) ?
C24 C25 . 1.416(6) ?
C24 Co1 . 2.023(4) ?
C24 H24 . 0.9800 ?
C25 C26 . 1.397(6) ?
C25 Co1 . 2.028(4) ?
C25 H25 . 0.9800 ?
C26 C27 . 1.426(5) ?
C26 Co1 . 2.034(4) ?
C26 H26 . 0.9800 ?
C27 Co1 . 2.041(4) ?
C27 H27 . 0.9800 ?
C28 C29 . 1.420(5) ?
C28 C32 . 1.442(5) ?
C28 P2 . 1.852(4) yes
C28 Co1 . 2.044(4) ?
C29 C30 . 1.416(6) ?
C29 Co1 . 2.021(4) ?
C29 H29 . 0.9800 ?
C30 C31 . 1.408(6) ?
C30 Co1 . 2.040(4) ?
C30 H30 . 0.9800 ?
C31 C32 . 1.425(5) ?
C31 Co1 . 2.035(4) ?
C31 H31 . 0.9800 ?
C32 Co1 . 2.026(4) ?
C32 H32 . 0.9800 ?
C33 C38 . 1.378(5) ?
C33 C34 . 1.380(5) ?
C33 P2 . 1.853(4) yes
C34 C35 . 1.416(6) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.343(7) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.388(7) ?
C36 H36 . 0.9300 ?
C37 C38 . 1.392(6) ?
C37 H37 . 0.9300 ?
C38 H38 . 0.9300 ?
C39 C40 . 1.379(5) ?
C39 C44 . 1.403(5) ?
C39 P2 . 1.836(3) yes
C40 C41 . 1.379(5) ?
C40 H40 . 0.9300 ?
C41 C42 . 1.381(7) ?
C41 H41 . 0.9300 ?
C42 C43 . 1.391(7) ?
C42 H42 . 0.9300 ?
C43 C44 . 1.370(6) ?
C43 H43 . 0.9300 ?
C44 H44 . 0.9300 ?
C45 Cl2 . 1.854(13) ?
C45 Cl2 2_656 1.854(13) ?
C45 H45A . 0.9700 ?
C45 H45B . 0.9700 ?
Cl1 Ru1 . 2.4451(9) yes
F1 P3 . 1.564(4) ?
F2 P3 . 1.504(4) ?
F3 P3 . 1.497(5) ?
F4 P3 . 1.579(3) ?
F5 P3 . 1.512(5) ?
F6 P3 . 1.459(5) ?
P1 Ru1 . 2.3222(9) yes
P2 Ru1 . 2.3061(9) yes
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
_geom_hbond_publ_flag
C31 H31 F4 5_667 0.98 2.52 3.234(5) 130 yes
C35 H35 F4 6_565 0.93 2.48 3.398(6) 170 yes
C30 H30 F3 5_667 0.98 2.50 3.347(7) 144 yes
C24 H24 Cl1 7_657 0.98 2.79 3.433(4) 124 yes
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_publ_flag
C10 C6 C7 C8 -4.1(4) ?
C1 C6 C7 C8 165.7(4) ?
Ru1 C6 C7 C8 -64.9(2) ?
C10 C6 C7 C2 -174.5(4) ?
C1 C6 C7 C2 -4.7(6) ?
Ru1 C6 C7 C2 124.7(4) yes
C10 C6 C7 Ru1 60.7(3) ?
C1 C6 C7 Ru1 -129.5(4) ?
C6 C7 C8 C9 2.5(4) ?
C2 C7 C8 C9 173.3(3) ?
Ru1 C7 C8 C9 -62.1(2) yes
C6 C7 C8 C3 -173.4(3) ?
C2 C7 C8 C3 -2.5(6) ?
Ru1 C7 C8 C3 122.0(4) ?
C6 C7 C8 Ru1 64.6(2) ?
C2 C7 C8 Ru1 -124.6(4) ?
C7 C8 C9 C10 0.1(4) ?
C3 C8 C9 C10 175.8(4) ?
Ru1 C8 C9 C10 -60.5(2) ?
C7 C8 C9 C4 -169.3(4) ?
C3 C8 C9 C4 6.4(6) ?
Ru1 C8 C9 C4 130.1(4) ?
C7 C8 C9 Ru1 60.6(2) ?
C3 C8 C9 Ru1 -123.6(4) ?
C7 C6 C10 C9 4.2(4) ?
C1 C6 C10 C9 -165.2(4) ?
Ru1 C6 C10 C9 64.6(2) ?
C7 C6 C10 C5 169.2(3) ?
C1 C6 C10 C5 -0.3(6) ?
Ru1 C6 C10 C5 -130.4(4) ?
C7 C6 C10 Ru1 -60.4(2) ?
C1 C6 C10 Ru1 130.2(4) ?
C8 C9 C10 C6 -2.7(4) ?
C4 C9 C10 C6 167.2(4) ?
Ru1 C9 C10 C6 -64.1(2) ?
C8 C9 C10 C5 -167.7(4) ?
C4 C9 C10 C5 2.2(6) ?
Ru1 C9 C10 C5 130.8(4) ?
C8 C9 C10 Ru1 61.5(2) ?
C4 C9 C10 Ru1 -128.6(4) ?
C16 C11 C12 C13 -0.8(7) ?
P1 C11 C12 C13 -177.6(4) ?
C11 C12 C13 C14 -0.5(7) ?
C12 C13 C14 C15 1.0(8) ?
C13 C14 C15 C16 -0.2(8) ?
C12 C11 C16 C15 1.6(7) ?
P1 C11 C16 C15 178.3(3) ?
C14 C15 C16 C11 -1.1(8) ?
C22 C17 C18 C19 1.0(6) ?
P1 C17 C18 C19 179.3(3) ?
C17 C18 C19 C20 -0.9(7) ?
C18 C19 C20 C21 0.7(8) ?
C19 C20 C21 C22 -0.6(7) ?
C20 C21 C22 C17 0.7(6) ?
C18 C17 C22 C21 -0.9(6) ?
P1 C17 C22 C21 -179.3(3) ?
C27 C23 C24 C25 0.7(4) ?
P1 C23 C24 C25 176.7(3) ?
Co1 C23 C24 C25 -59.2(3) ?
C27 C23 C24 Co1 59.9(2) ?
P1 C23 C24 Co1 -124.1(3) yes
C23 C24 C25 C26 0.0(5) ?
Co1 C24 C25 C26 -59.2(3) yes
C23 C24 C25 Co1 59.2(3) yes
C24 C25 C26 C27 -0.7(5) ?
Co1 C25 C26 C27 -59.4(3) ?
C24 C25 C26 Co1 58.7(3) ?
C25 C26 C27 C23 1.1(5) ?
Co1 C26 C27 C23 -58.2(3) ?
C25 C26 C27 Co1 59.3(3) ?
C24 C23 C27 C26 -1.1(4) ?
P1 C23 C27 C26 -176.6(3) ?
Co1 C23 C27 C26 58.1(3) ?
C24 C23 C27 Co1 -59.2(2) ?
P1 C23 C27 Co1 125.3(3) ?
C32 C28 C29 C30 -1.5(4) ?
P2 C28 C29 C30 177.0(3) ?
Co1 C28 C29 C30 -59.9(3) yes
C32 C28 C29 Co1 58.3(2) ?
P2 C28 C29 Co1 -123.2(3) yes
C28 C29 C30 C31 1.2(5) ?
Co1 C29 C30 C31 -58.7(3) yes
C28 C29 C30 Co1 59.9(3) ?
C29 C30 C31 C32 -0.3(5) ?
Co1 C30 C31 C32 -58.6(3) ?
C29 C30 C31 Co1 58.3(3) ?
C30 C31 C32 C28 -0.6(5) ?
Co1 C31 C32 C28 -59.8(3) ?
C30 C31 C32 Co1 59.2(3) ?
C29 C28 C32 C31 1.3(4) ?
P2 C28 C32 C31 -177.1(3) ?
Co1 C28 C32 C31 59.7(3) ?
C29 C28 C32 Co1 -58.4(2) ?
P2 C28 C32 Co1 123.1(3) ?
C38 C33 C34 C35 0.0(6) ?
P2 C33 C34 C35 175.9(4) ?
C33 C34 C35 C36 0.6(8) ?
C34 C35 C36 C37 -1.3(8) ?
C35 C36 C37 C38 1.3(8) yes
C34 C33 C38 C37 0.0(6) ?
P2 C33 C38 C37 -176.0(3) ?
C36 C37 C38 C33 -0.7(7) ?
C44 C39 C40 C41 0.1(6) ?
P2 C39 C40 C41 -177.6(3) ?
C39 C40 C41 C42 -1.3(7) ?
C40 C41 C42 C43 1.4(7) ?
C41 C42 C43 C44 -0.3(7) ?
C42 C43 C44 C39 -1.0(7) ?
C40 C39 C44 C43 1.1(6) ?
P2 C39 C44 C43 178.6(3) ?
C30 C29 Co1 C24 160.1(4) yes
C28 C29 Co1 C24 40.2(5) ?
C30 C29 Co1 C32 81.4(3) ?
C28 C29 Co1 C32 -38.5(2) ?
C30 C29 Co1 C25 -37.3(6) ?
C28 C29 Co1 C25 -157.1(5) ?
C30 C29 Co1 C26 -74.7(3) ?
C28 C29 Co1 C26 165.4(2) ?
C30 C29 Co1 C31 37.2(3) ?
C28 C29 Co1 C31 -82.7(2) ?
C30 C29 Co1 C23 -161.7(2) ?
C28 C29 Co1 C23 78.5(2) ?
C28 C29 Co1 C30 -119.9(3) ?
C30 C29 Co1 C27 -117.8(3) ?
C28 C29 Co1 C27 122.4(2) ?
C30 C29 Co1 C28 119.9(3) ?
C25 C24 Co1 C29 171.4(4) ?
C23 C24 Co1 C29 51.8(5) yes
C25 C24 Co1 C32 -117.0(2) ?
C23 C24 Co1 C32 123.4(2) ?
C23 C24 Co1 C25 -119.6(3) ?
C25 C24 Co1 C26 36.8(2) ?
C23 C24 Co1 C26 -82.8(2) ?
C25 C24 Co1 C31 -75.8(3) ?
C23 C24 Co1 C31 164.6(2) ?
C25 C24 Co1 C23 119.6(3) ?
C25 C24 Co1 C30 -46.9(6) ?
C23 C24 Co1 C30 -166.5(4) ?
C25 C24 Co1 C27 80.9(2) ?
C23 C24 Co1 C27 -38.7(2) ?
C25 C24 Co1 C28 -159.2(2) ?
C23 C24 Co1 C28 81.3(2) ?
C31 C32 Co1 C29 -81.0(3) ?
C28 C32 Co1 C29 37.9(2) ?
C31 C32 Co1 C24 121.7(3) ?
C28 C32 Co1 C24 -119.5(2) ?
C31 C32 Co1 C25 79.8(3) ?
C28 C32 Co1 C25 -161.3(2) ?
C31 C32 Co1 C26 49.6(5) ?
C28 C32 Co1 C26 168.5(3) ?
C28 C32 Co1 C31 118.9(3) ?
C31 C32 Co1 C23 163.3(2) ?
C28 C32 Co1 C23 -77.8(2) ?
C31 C32 Co1 C30 -37.1(3) ?
C28 C32 Co1 C30 81.8(2) ?
C31 C32 Co1 C27 -170.4(5) ?
C28 C32 Co1 C27 -51.5(6) ?
C31 C32 Co1 C28 -118.9(3) ?
C26 C25 Co1 C29 -49.8(6) ?
C24 C25 Co1 C29 -170.1(5) ?
C26 C25 Co1 C24 120.2(3) ?
C26 C25 Co1 C32 -160.3(2) ?
C24 C25 Co1 C32 79.4(3) ?
C24 C25 Co1 C26 -120.2(3) ?
C26 C25 Co1 C31 -118.2(3) ?
C24 C25 Co1 C31 121.5(2) ?
C26 C25 Co1 C23 82.1(3) ?
C24 C25 Co1 C23 -38.1(2) ?
C26 C25 Co1 C30 -78.0(3) ?
C24 C25 Co1 C30 161.8(2) ?
C26 C25 Co1 C27 37.9(2) ?
C24 C25 Co1 C27 -82.3(2) ?
C26 C25 Co1 C28 168.5(3) ?
C24 C25 Co1 C28 48.3(5) ?
C25 C26 Co1 C29 162.0(2) ?
C27 C26 Co1 C29 -78.7(3) ?
C25 C26 Co1 C24 -37.4(2) ?
C27 C26 Co1 C24 81.9(2) ?
C25 C26 Co1 C32 43.0(5) ?
C27 C26 Co1 C32 162.3(3) ?
C27 C26 Co1 C25 119.3(4) ?
C25 C26 Co1 C31 78.2(3) ?
C27 C26 Co1 C31 -162.5(2) ?
C25 C26 Co1 C23 -82.2(3) ?
C27 C26 Co1 C23 37.2(2) ?
C25 C26 Co1 C30 120.6(3) ?
C27 C26 Co1 C30 -120.1(3) ?
C25 C26 Co1 C27 -119.3(4) ?
C25 C26 Co1 C28 -163.8(5) ?
C27 C26 Co1 C28 -44.5(6) ?
C30 C31 Co1 C29 -37.5(2) ?
C32 C31 Co1 C29 82.3(3) ?
C30 C31 Co1 C24 164.5(2) ?
C32 C31 Co1 C24 -75.6(3) ?
C30 C31 Co1 C32 -119.8(4) ?
C30 C31 Co1 C25 123.4(3) ?
C32 C31 Co1 C25 -116.8(3) ?
C30 C31 Co1 C26 82.4(3) ?
C32 C31 Co1 C26 -157.7(2) ?
C30 C31 Co1 C23 -164.5(4) ?
C32 C31 Co1 C23 -44.7(5) ?
C32 C31 Co1 C30 119.8(4) ?
C30 C31 Co1 C27 52.7(5) ?
C32 C31 Co1 C27 172.6(4) ?
C30 C31 Co1 C28 -81.5(3) ?
C32 C31 Co1 C28 38.4(2) ?
C27 C23 Co1 C29 83.2(2) ?
C24 C23 Co1 C29 -159.3(2) ?
P1 C23 Co1 C29 -44.7(3) ?
C27 C23 Co1 C24 -117.5(3) ?
P1 C23 Co1 C24 114.6(3) ?
C27 C23 Co1 C32 168.0(2) ?
C24 C23 Co1 C32 -74.5(3) ?
P1 C23 Co1 C32 40.1(3) ?
C27 C23 Co1 C25 -80.1(2) ?
C24 C23 Co1 C25 37.4(2) ?
P1 C23 Co1 C25 152.1(3) ?
C27 C23 Co1 C26 -37.0(2) ?
C24 C23 Co1 C26 80.5(2) ?
P1 C23 Co1 C26 -164.9(3) ?
C27 C23 Co1 C31 -158.5(4) ?
C24 C23 Co1 C31 -41.0(5) ?
P1 C23 Co1 C31 73.6(5) ?
C27 C23 Co1 C30 49.4(5) ?
C24 C23 Co1 C30 166.9(4) ?
P1 C23 Co1 C30 -78.4(5) ?
C24 C23 Co1 C27 117.5(3) ?
P1 C23 Co1 C27 -127.9(3) ?
C27 C23 Co1 C28 125.3(2) ?
C24 C23 Co1 C28 -117.2(2) ?
P1 C23 Co1 C28 -2.6(3) ?
C31 C30 Co1 C29 119.8(4) ?
C31 C30 Co1 C24 -39.1(6) ?
C29 C30 Co1 C24 -158.9(4) ?
C31 C30 Co1 C32 37.7(2) ?
C29 C30 Co1 C32 -82.1(3) ?
C31 C30 Co1 C25 -73.9(3) ?
C29 C30 Co1 C25 166.3(2) ?
C31 C30 Co1 C26 -115.4(3) ?
C29 C30 Co1 C26 124.8(3) ?
C29 C30 Co1 C31 -119.8(4) ?
C31 C30 Co1 C23 165.7(4) ?
C29 C30 Co1 C23 45.9(5) ?
C31 C30 Co1 C27 -157.8(2) ?
C29 C30 Co1 C27 82.3(3) ?
C31 C30 Co1 C28 82.4(3) ?
C29 C30 Co1 C28 -37.5(2) ?
C26 C27 Co1 C29 122.3(2) ?
C23 C27 Co1 C29 -117.0(2) ?
C26 C27 Co1 C24 -81.4(3) ?
C23 C27 Co1 C24 39.2(2) ?
C26 C27 Co1 C32 -154.9(5) ?
C23 C27 Co1 C32 -34.3(6) ?
C26 C27 Co1 C25 -37.3(2) ?
C23 C27 Co1 C25 83.3(2) ?
C23 C27 Co1 C26 120.6(3) ?
C26 C27 Co1 C31 41.0(5) ?
C23 C27 Co1 C31 161.6(4) ?
C26 C27 Co1 C23 -120.6(3) ?
C26 C27 Co1 C30 78.9(3) ?
C23 C27 Co1 C30 -160.5(2) ?
C26 C27 Co1 C28 165.3(2) ?
C23 C27 Co1 C28 -74.1(3) ?
C32 C28 Co1 C29 -118.8(3) ?
P2 C28 Co1 C29 119.7(3) yes
C29 C28 Co1 C24 -163.5(2) ?
C32 C28 Co1 C24 77.8(2) ?
P2 C28 Co1 C24 -43.8(3) ?
C29 C28 Co1 C32 118.8(3) ?
P2 C28 Co1 C32 -121.5(3) ?
C29 C28 Co1 C25 161.9(4) ?
C32 C28 Co1 C25 43.1(5) ?
P2 C28 Co1 C25 -78.4(4) ?
C29 C28 Co1 C26 -44.1(6) ?
C32 C28 Co1 C26 -162.9(5) ?
P2 C28 Co1 C26 75.6(6) ?
C29 C28 Co1 C31 80.8(3) ?
C32 C28 Co1 C31 -38.0(2) ?
P2 C28 Co1 C31 -159.5(3) ?
C29 C28 Co1 C23 -120.0(2) ?
C32 C28 Co1 C23 121.2(2) ?
P2 C28 Co1 C23 -0.3(3) ?
C29 C28 Co1 C30 37.4(2) ?
C32 C28 Co1 C30 -81.4(2) ?
P2 C28 Co1 C30 157.1(3) ?
C29 C28 Co1 C27 -78.6(3) ?
C32 C28 Co1 C27 162.6(2) ?
P2 C28 Co1 C27 41.1(3) ?
C18 C17 P1 C23 122.8(3) ?
C22 C17 P1 C23 -58.9(3) ?
C18 C17 P1 C11 26.5(4) ?
C22 C17 P1 C11 -155.2(3) ?
C18 C17 P1 Ru1 -101.4(3) ?
C22 C17 P1 Ru1 76.9(3) ?
C27 C23 P1 C17 15.4(4) ?
C24 C23 P1 C17 -159.4(3) ?
Co1 C23 P1 C17 112.9(2) ?
C27 C23 P1 C11 119.6(4) ?
C24 C23 P1 C11 -55.2(3) ?
Co1 C23 P1 C11 -142.9(2) ?
C27 C23 P1 Ru1 -118.2(3) ?
C24 C23 P1 Ru1 66.9(3) ?
Co1 C23 P1 Ru1 -20.8(3) ?
C12 C11 P1 C17 -139.6(3) ?
C16 C11 P1 C17 43.8(4) ?
C12 C11 P1 C23 118.5(3) ?
C16 C11 P1 C23 -58.2(4) ?
C12 C11 P1 Ru1 -9.4(4) ?
C16 C11 P1 Ru1 173.9(3) ?
C40 C39 P2 C28 121.3(3) ?
C44 C39 P2 C28 -56.2(3) ?
C40 C39 P2 C33 -137.5(3) ?
C44 C39 P2 C33 45.0(4) ?
C40 C39 P2 Ru1 -11.9(3) ?
C44 C39 P2 Ru1 170.5(3) ?
C29 C28 P2 C39 -14.0(4) ?
C32 C28 P2 C39 164.1(3) ?
Co1 C28 P2 C39 -104.4(2) ?
C29 C28 P2 C33 -119.1(3) ?
C32 C28 P2 C33 59.0(3) ?
Co1 C28 P2 C33 150.5(2) ?
C29 C28 P2 Ru1 116.9(3) ?
C32 C28 P2 Ru1 -64.9(3) ?
Co1 C28 P2 Ru1 26.5(3) ?
C38 C33 P2 C39 -164.1(3) ?
C34 C33 P2 C39 20.1(4) ?
C38 C33 P2 C28 -63.1(3) ?
C34 C33 P2 C28 121.1(4) ?
C38 C33 P2 Ru1 67.0(3) ?
C34 C33 P2 Ru1 -108.9(3) ?
C6 C7 Ru1 C10 -36.4(2) ?
C8 C7 Ru1 C10 78.5(2) ?
C2 C7 Ru1 C10 -161.1(4) ?
C8 C7 Ru1 C6 114.9(3) ?
C2 C7 Ru1 C6 -124.7(5) ?
C6 C7 Ru1 C8 -114.9(3) ?
C2 C7 Ru1 C8 120.4(5) ?
C6 C7 Ru1 C9 -78.7(2) ?
C8 C7 Ru1 C9 36.2(2) ?
C2 C7 Ru1 C9 156.6(4) ?
C6 C7 Ru1 P2 75.2(2) ?
C8 C7 Ru1 P2 -169.92(19) ?
C2 C7 Ru1 P2 -49.5(4) ?
C6 C7 Ru1 P1 -93.1(3) ?
C8 C7 Ru1 P1 21.8(4) ?
C2 C7 Ru1 P1 142.2(3) ?
C6 C7 Ru1 Cl1 165.1(2) ?
C8 C7 Ru1 Cl1 -80.0(2) ?
C2 C7 Ru1 Cl1 40.4(4) ?
C6 C10 Ru1 C7 36.7(2) yes
C9 C10 Ru1 C7 -78.8(2) ?
C5 C10 Ru1 C7 158.9(4) ?
C9 C10 Ru1 C6 -115.5(3) ?
C5 C10 Ru1 C6 122.2(5) ?
C6 C10 Ru1 C8 79.2(2) ?
C9 C10 Ru1 C8 -36.3(2) ?
C5 C10 Ru1 C8 -158.6(5) ?
C6 C10 Ru1 C9 115.5(3) ?
C5 C10 Ru1 C9 -122.3(5) ?
C6 C10 Ru1 P2 -58.1(2) ?
C9 C10 Ru1 P2 -173.57(19) ?
C5 C10 Ru1 P2 64.1(4) ?
C6 C10 Ru1 P1 -162.6(2) yes
C9 C10 Ru1 P1 82.0(2) ?
C5 C10 Ru1 P1 -40.4(4) ?
C6 C10 Ru1 Cl1 85.7(3) ?
C9 C10 Ru1 Cl1 -29.8(4) ?
C5 C10 Ru1 Cl1 -152.1(3) ?
C10 C6 Ru1 C7 -118.9(3) ?
C1 C6 Ru1 C7 118.3(5) ?
C7 C6 Ru1 C10 118.9(3) ?
C1 C6 Ru1 C10 -122.8(5) ?
C10 C6 Ru1 C8 -80.1(2) ?
C7 C6 Ru1 C8 38.9(2) ?
C1 C6 Ru1 C8 157.2(5) ?
C10 C6 Ru1 C9 -38.5(2) ?
C7 C6 Ru1 C9 80.4(3) ?
C1 C6 Ru1 C9 -161.3(5) ?
C10 C6 Ru1 P2 130.1(2) ?
C7 C6 Ru1 P2 -111.0(2) ?
C1 C6 Ru1 P2 7.3(4) ?
C10 C6 Ru1 P1 26.0(3) ?
C7 C6 Ru1 P1 144.9(2) ?
C1 C6 Ru1 P1 -96.8(4) ?
C10 C6 Ru1 Cl1 -139.24(18) ?
C7 C6 Ru1 Cl1 -20.3(3) ?
C1 C6 Ru1 Cl1 98.0(4) ?
C9 C8 Ru1 C7 118.3(3) ?
C3 C8 Ru1 C7 -118.7(5) ?
C9 C8 Ru1 C10 37.2(2) ?
C7 C8 Ru1 C10 -81.1(2) ?
C3 C8 Ru1 C10 160.2(5) ?
C9 C8 Ru1 C6 79.5(2) ?
C7 C8 Ru1 C6 -38.8(2) ?
C3 C8 Ru1 C6 -157.4(5) ?
C7 C8 Ru1 C9 -118.3(3) ?
C3 C8 Ru1 C9 123.0(5) ?
C9 C8 Ru1 P2 134.3(2) ?
C7 C8 Ru1 P2 15.9(3) yes
C3 C8 Ru1 P2 -102.7(4) ?
C9 C8 Ru1 P1 -52.1(2) ?
C7 C8 Ru1 P1 -170.43(18) ?
C3 C8 Ru1 P1 70.9(4) ?
C9 C8 Ru1 Cl1 -139.7(2) ?
C7 C8 Ru1 Cl1 102.0(2) ?
C3 C8 Ru1 Cl1 -16.7(4) ?
C8 C9 Ru1 C7 -37.3(2) ?
C10 C9 Ru1 C7 81.0(2) ?
C4 C9 Ru1 C7 -161.4(5) ?
C8 C9 Ru1 C10 -118.3(3) ?
C4 C9 Ru1 C10 117.6(5) ?
C8 C9 Ru1 C6 -80.0(2) ?
C10 C9 Ru1 C6 38.3(2) ?
C4 C9 Ru1 C6 155.9(5) ?
C10 C9 Ru1 C8 118.3(3) ?
C4 C9 Ru1 C8 -124.1(5) ?
C8 C9 Ru1 P2 -105.6(3) ?
C10 C9 Ru1 P2 12.7(4) ?
C4 C9 Ru1 P2 130.3(4) ?
C8 C9 Ru1 P1 137.2(2) ?
C10 C9 Ru1 P1 -104.5(2) ?
C4 C9 Ru1 P1 13.1(4) ?
C8 C9 Ru1 Cl1 46.1(2) ?
C10 C9 Ru1 Cl1 164.49(19) ?
C4 C9 Ru1 Cl1 -77.9(4) ?
C39 P2 Ru1 C7 -92.98(17) ?
C28 P2 Ru1 C7 144.98(16) ?
C33 P2 Ru1 C7 27.83(17) ?
C39 P2 Ru1 C10 -26.00(18) ?
C28 P2 Ru1 C10 -148.03(17) ?
C33 P2 Ru1 C10 94.81(17) ?
C39 P2 Ru1 C6 -56.92(17) ?
C28 P2 Ru1 C6 -178.95(16) ?
C33 P2 Ru1 C6 63.89(17) ?
C39 P2 Ru1 C8 -103.0(2) ?
C28 P2 Ru1 C8 135.0(2) ?
C33 P2 Ru1 C8 17.8(2) ?
C39 P2 Ru1 C9 -34.5(3) ?
C28 P2 Ru1 C9 -156.6(3) ?
C33 P2 Ru1 C9 86.3(3) ?
C39 P2 Ru1 P1 82.52(14) ?
C28 P2 Ru1 P1 -39.52(13) ?
C33 P2 Ru1 P1 -156.67(13) ?
C39 P2 Ru1 Cl1 170.58(14) ?
C28 P2 Ru1 Cl1 48.54(13) ?
C33 P2 Ru1 Cl1 -68.61(13) ?
C17 P1 Ru1 C7 79.5(3) ?
C23 P1 Ru1 C7 -154.4(3) ?
C11 P1 Ru1 C7 -42.8(3) ?
C17 P1 Ru1 C10 29.60(17) ?
C23 P1 Ru1 C10 155.69(17) ?
C11 P1 Ru1 C10 -92.68(17) ?
C17 P1 Ru1 C6 13.8(2) ?
C23 P1 Ru1 C6 139.9(2) ?
C11 P1 Ru1 C6 -108.5(2) ?
C17 P1 Ru1 C8 94.80(18) ?
C23 P1 Ru1 C8 -139.12(17) ?
C11 P1 Ru1 C8 -27.49(18) ?
C17 P1 Ru1 C9 66.71(17) ?
C23 P1 Ru1 C9 -167.20(17) ?
C11 P1 Ru1 C9 -55.57(17) ?
C17 P1 Ru1 P2 -89.15(14) ?
C23 P1 Ru1 P2 36.94(14) ?
C11 P1 Ru1 P2 148.57(14) ?
C17 P1 Ru1 Cl1 -177.03(14) ?
C23 P1 Ru1 Cl1 -50.94(14) ?
C11 P1 Ru1 Cl1 60.69(14) ?
