#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:28:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179846 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/42/7014242.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_7014242
loop_
_publ_author_name
'Adams, Christopher J.'
'Bowen, Lucy E.'
'Humphrey, Mark G.'
'Morrall, Joseph P. L.'
'Samoc, Marek'
'Yellowlees, Lesley J.'
_publ_section_title
;
 Ruthenium bipyridyl compounds with two terminal alkynyl ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4130
_journal_page_last               4138
_journal_paper_doi               10.1039/b411609g
_journal_year                    2004
_chemical_formula_sum            'C55 H53 Cl2 F6 N4 P3 Ru'
_chemical_formula_weight         1148.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.69(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.692(6)
_cell_length_b                   11.874(4)
_cell_length_c                   26.902(8)
_cell_measurement_reflns_used    108
_cell_measurement_temperature    173(2)
_cell_volume                     5284(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans with narrow frames'
_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  0.0866
_diffrn_reflns_av_sigmaI/netI    0.1208
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            33710
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.745
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         12121
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.1372
_refine_ls_R_factor_gt           0.0663
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0985P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1619
_refine_ls_wR_factor_ref         0.1928
_reflns_number_gt                6674
_reflns_number_total             12121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b411609g.txt
_cod_data_source_block           4
_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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7014242
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.78958(2) -0.11960(4) 1.157733(14) 0.02538(13) Uani 1 1 d . . .
N1 N 0.8726(2) -0.1684(4) 1.10835(14) 0.0256(9) Uani 1 1 d . . .
C1 C 0.9496(3) -0.2029(5) 1.12131(19) 0.0304(12) Uani 1 1 d . . .
H1A H 0.9732 -0.1941 1.1552 0.036 Uiso 1 1 calc R . .
C2 C 0.9955(3) -0.2500(5) 1.0882(2) 0.0352(13) Uani 1 1 d . . .
H2A H 1.0495 -0.2726 1.0993 0.042 Uiso 1 1 calc R . .
C3 C 0.9631(3) -0.2650(5) 1.0381(2) 0.0342(13) Uani 1 1 d . . .
C4 C 0.8844(3) -0.2232(5) 1.02387(19) 0.0332(13) Uani 1 1 d . . .
H4A H 0.8607 -0.2272 0.9898 0.040 Uiso 1 1 calc R . .
C5 C 0.8419(3) -0.1768(5) 1.05890(18) 0.0285(12) Uani 1 1 d . . .
C6 C 1.0095(4) -0.3233(6) 1.0015(2) 0.0492(16) Uani 1 1 d . . .
H6A H 1.0626 -0.3460 1.0186 0.074 Uiso 1 1 calc R . .
H6B H 1.0165 -0.2719 0.9739 0.074 Uiso 1 1 calc R . .
H6C H 0.9797 -0.3902 0.9882 0.074 Uiso 1 1 calc R . .
C7 C 0.7568(3) -0.1368(5) 1.04715(18) 0.0294(12) Uani 1 1 d . . .
C8 C 0.7156(3) -0.1367(5) 0.9989(2) 0.0375(14) Uani 1 1 d . . .
H8A H 0.7436 -0.1535 0.9712 0.045 Uiso 1 1 calc R . .
C9 C 0.6332(3) -0.1120(5) 0.9907(2) 0.0415(14) Uani 1 1 d . . .
C10 C 0.5974(3) -0.0824(5) 1.0322(2) 0.0414(15) Uani 1 1 d . . .
H10A H 0.5416 -0.0633 1.0282 0.050 Uiso 1 1 calc R . .
C11 C 0.6416(3) -0.0803(5) 1.0799(2) 0.0373(14) Uani 1 1 d . . .
H11A H 0.6155 -0.0591 1.1077 0.045 Uiso 1 1 calc R . .
C12 C 0.5862(4) -0.1187(7) 0.9388(2) 0.065(2) Uani 1 1 d . . .
H12A H 0.5294 -0.1000 0.9404 0.098 Uiso 1 1 calc R . .
H12B H 0.5898 -0.1953 0.9256 0.098 Uiso 1 1 calc R . .
H12C H 0.6087 -0.0653 0.9166 0.098 Uiso 1 1 calc R . .
N2 N 0.7205(2) -0.1077(4) 1.08742(15) 0.0284(10) Uani 1 1 d . . .
C13 C 0.6947(3) -0.0762(5) 1.19391(18) 0.0304(12) Uani 1 1 d . . .
C14 C 0.6381(3) -0.0489(6) 1.2129(2) 0.0422(15) Uani 1 1 d . . .
C15 C 0.5675(4) -0.0082(8) 1.2359(3) 0.070(2) Uani 1 1 d . . .
C16 C 0.5030(5) 0.0345(13) 1.1965(4) 0.171(7) Uani 1 1 d . . .
H16A H 0.4849 -0.0266 1.1733 0.257 Uiso 1 1 calc R . .
H16B H 0.5246 0.0962 1.1781 0.257 Uiso 1 1 calc R . .
H16C H 0.4573 0.0620 1.2124 0.257 Uiso 1 1 calc R . .
C17 C 0.5382(6) -0.0984(8) 1.2685(4) 0.120(4) Uani 1 1 d . . .
H17A H 0.5226 -0.1652 1.2481 0.180 Uiso 1 1 calc R . .
H17B H 0.4915 -0.0705 1.2832 0.180 Uiso 1 1 calc R . .
H17C H 0.5816 -0.1182 1.2953 0.180 Uiso 1 1 calc R . .
C18 C 0.5931(6) 0.0993(8) 1.2701(3) 0.094(3) Uani 1 1 d . . .
H18A H 0.6362 0.0783 1.2969 0.140 Uiso 1 1 calc R . .
H18B H 0.5462 0.1267 1.2849 0.140 Uiso 1 1 calc R . .
H18C H 0.6125 0.1588 1.2495 0.140 Uiso 1 1 calc R . .
N3 N 0.8675(3) -0.1367(4) 1.22025(16) 0.0277(10) Uani 1 1 d . . .
N4 N 0.9045(3) -0.1499(5) 1.2527(2) 0.0571(15) Uani 1 1 d . . .
P1 P 0.82596(8) 0.07382(13) 1.15659(5) 0.0296(3) Uani 1 1 d . . .
C1A C 0.7561(4) 0.1702(5) 1.1189(2) 0.0424(15) Uani 1 1 d . . .
C1B C 0.7752(5) 0.2355(7) 1.0795(3) 0.080(3) Uani 1 1 d . . .
H1BA H 0.8263 0.2280 1.0679 0.096 Uiso 1 1 calc R . .
C1C C 0.7176(9) 0.3136(9) 1.0566(4) 0.122(4) Uani 1 1 d . . .
H1CA H 0.7314 0.3621 1.0310 0.146 Uiso 1 1 calc R . .
C1D C 0.6406(6) 0.3202(8) 1.0715(4) 0.096(3) Uani 1 1 d . . .
H1DA H 0.5997 0.3656 1.0535 0.115 Uiso 1 1 calc R . .
C1E C 0.6263(5) 0.2621(8) 1.1109(4) 0.089(3) Uani 1 1 d . . .
H1EA H 0.5766 0.2730 1.1237 0.107 Uiso 1 1 calc R . .
C1F C 0.6829(5) 0.1834(7) 1.1348(3) 0.078(2) Uani 1 1 d . . .
H1FA H 0.6695 0.1398 1.1621 0.094 Uiso 1 1 calc R . .
C1G C 0.9246(3) 0.0895(5) 1.1358(2) 0.0368(14) Uani 1 1 d . . .
C1H C 0.9347(4) 0.0730(6) 1.0849(2) 0.0512(17) Uani 1 1 d . . .
H1HA H 0.8885 0.0621 1.0606 0.061 Uiso 1 1 calc R . .
C1I C 1.0109(5) 0.0726(6) 1.0701(3) 0.064(2) Uani 1 1 d . . .
H1IA H 1.0167 0.0635 1.0356 0.077 Uiso 1 1 calc R . .
C1J C 1.0792(5) 0.0854(7) 1.1056(3) 0.067(2) Uani 1 1 d . . .
H1JA H 1.1318 0.0850 1.0957 0.081 Uiso 1 1 calc R . .
C1K C 1.0693(4) 0.0987(7) 1.1554(3) 0.064(2) Uani 1 1 d . . .
H1KA H 1.1154 0.1074 1.1799 0.077 Uiso 1 1 calc R . .
C1L C 0.9934(4) 0.0996(6) 1.1696(2) 0.0470(16) Uani 1 1 d . . .
H1LA H 0.9883 0.1075 1.2042 0.056 Uiso 1 1 calc R . .
C1M C 0.8393(3) 0.1511(4) 1.21633(18) 0.0274(12) Uani 1 1 d . . .
C1N C 0.8722(3) 0.2593(5) 1.2174(2) 0.0370(14) Uani 1 1 d . . .
H1NA H 0.8887 0.2900 1.1878 0.044 Uiso 1 1 calc R . .
C1O C 0.8810(3) 0.3224(5) 1.2609(2) 0.0389(14) Uani 1 1 d . . .
H1OA H 0.9034 0.3960 1.2614 0.047 Uiso 1 1 calc R . .
C1P C 0.8566(3) 0.2767(5) 1.3042(2) 0.0390(14) Uani 1 1 d . . .
H1PA H 0.8626 0.3193 1.3344 0.047 Uiso 1 1 calc R . .
C1Q C 0.8242(3) 0.1712(5) 1.3035(2) 0.0383(14) Uani 1 1 d . . .
H1QA H 0.8078 0.1410 1.3332 0.046 Uiso 1 1 calc R . .
C1R C 0.8147(3) 0.1074(5) 1.25976(19) 0.0336(13) Uani 1 1 d . . .
H1RA H 0.7916 0.0343 1.2596 0.040 Uiso 1 1 calc R . .
P2 P 0.75128(8) -0.31335(12) 1.16442(5) 0.0273(3) Uani 1 1 d . . .
C2A C 0.8335(3) -0.4077(5) 1.1522(2) 0.0328(13) Uani 1 1 d . . .
C2B C 0.8366(4) -0.4674(6) 1.1087(2) 0.0533(18) Uani 1 1 d . . .
H2BA H 0.7910 -0.4692 1.0834 0.064 Uiso 1 1 calc R . .
C2C C 0.9072(4) -0.5254(6) 1.1018(3) 0.062(2) Uani 1 1 d . . .
H2CA H 0.9092 -0.5658 1.0715 0.074 Uiso 1 1 calc R . .
C2D C 0.9736(4) -0.5254(6) 1.1376(3) 0.0530(18) Uani 1 1 d . . .
H2DA H 1.0211 -0.5652 1.1323 0.064 Uiso 1 1 calc R . .
C2E C 0.9708(4) -0.4680(6) 1.1809(2) 0.0473(16) Uani 1 1 d . . .
H2EA H 1.0164 -0.4680 1.2062 0.057 Uiso 1 1 calc R . .
C2F C 0.9014(3) -0.4089(5) 1.1885(2) 0.0387(14) Uani 1 1 d . . .
H2FA H 0.9003 -0.3688 1.2190 0.046 Uiso 1 1 calc R . .
C2G C 0.6593(3) -0.3545(5) 1.1229(2) 0.0318(13) Uani 1 1 d . . .
C2H C 0.5876(3) -0.3704(5) 1.1425(2) 0.0443(15) Uani 1 1 d . . .
H2HA H 0.5870 -0.3652 1.1776 0.053 Uiso 1 1 calc R . .
C2I C 0.5166(4) -0.3939(6) 1.1112(3) 0.0577(19) Uani 1 1 d . . .
H2IA H 0.4678 -0.4053 1.1250 0.069 Uiso 1 1 calc R . .
C2J C 0.5165(4) -0.4006(6) 1.0601(3) 0.0569(19) Uani 1 1 d . . .
H2JA H 0.4677 -0.4173 1.0389 0.068 Uiso 1 1 calc R . .
C2K C 0.5865(4) -0.3835(5) 1.0397(2) 0.0462(15) Uani 1 1 d . . .
H2KA H 0.5862 -0.3870 1.0044 0.055 Uiso 1 1 calc R . .
C2L C 0.6584(3) -0.3608(5) 1.0710(2) 0.0353(13) Uani 1 1 d . . .
H2LA H 0.7070 -0.3495 1.0569 0.042 Uiso 1 1 calc R . .
C2M C 0.7325(3) -0.3636(5) 1.22613(19) 0.0310(13) Uani 1 1 d . . .
C2N C 0.7231(3) -0.4783(6) 1.2332(2) 0.0420(15) Uani 1 1 d . . .
H2NA H 0.7254 -0.5287 1.2060 0.050 Uiso 1 1 calc R . .
C2O C 0.7104(3) -0.5204(6) 1.2800(3) 0.0516(18) Uani 1 1 d . . .
H2OA H 0.7036 -0.5989 1.2847 0.062 Uiso 1 1 calc R . .
C2P C 0.7077(4) -0.4468(7) 1.3191(2) 0.0526(19) Uani 1 1 d . . .
H2PA H 0.6987 -0.4750 1.3509 0.063 Uiso 1 1 calc R . .
C2Q C 0.7176(4) -0.3345(7) 1.3131(2) 0.0490(17) Uani 1 1 d . . .
H2QA H 0.7164 -0.2851 1.3407 0.059 Uiso 1 1 calc R . .
C2R C 0.7295(3) -0.2917(6) 1.26687(19) 0.0374(14) Uani 1 1 d . . .
H2RA H 0.7356 -0.2129 1.2628 0.045 Uiso 1 1 calc R . .
P3 P 0.75836(12) -0.04887(18) 1.42443(7) 0.0587(5) Uani 1 1 d . . .
F1 F 0.8175(3) 0.0535(5) 1.4243(2) 0.119(2) Uani 1 1 d . . .
F2 F 0.7371(3) -0.0394(4) 1.36582(17) 0.1086(19) Uani 1 1 d . . .
F3 F 0.7006(5) -0.1517(5) 1.4239(3) 0.157(3) Uani 1 1 d . . .
F4 F 0.8276(5) -0.1333(6) 1.4177(2) 0.153(3) Uani 1 1 d . . .
F5 F 0.6879(3) 0.0308(5) 1.4339(3) 0.129(2) Uani 1 1 d . . .
F6 F 0.7793(4) -0.0598(5) 1.48299(16) 0.1120(19) Uani 1 1 d . . .
C100 C 0.7166(7) -0.7095(12) 1.4394(6) 0.206(8) Uani 1 1 d D . .
H10B H 0.7340 -0.7861 1.4308 0.247 Uiso 1 1 calc R . .
H10C H 0.6995 -0.7137 1.4732 0.247 Uiso 1 1 calc R . .
Cl1 Cl 0.6368(3) -0.6753(4) 1.3991(2) 0.245(3) Uani 1 1 d D . .
Cl2 Cl 0.7987(2) -0.6230(3) 1.44286(12) 0.1242(10) Uani 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ru1 C13 94.79(19) . . ?
N3 Ru1 N2 172.60(16) . . ?
C13 Ru1 N2 92.61(18) . . ?
N3 Ru1 N1 95.37(16) . . ?
C13 Ru1 N1 169.59(17) . . ?
N2 Ru1 N1 77.24(15) . . ?
N3 Ru1 P1 88.31(13) . . ?
C13 Ru1 P1 88.75(16) . . ?
N2 Ru1 P1 91.95(13) . . ?
N1 Ru1 P1 93.80(12) . . ?
N3 Ru1 P2 89.38(13) . . ?
C13 Ru1 P2 88.55(16) . . ?
N2 Ru1 P2 90.71(13) . . ?
N1 Ru1 P2 89.32(12) . . ?
P1 Ru1 P2 176.29(5) . . ?
C1 N1 C5 116.7(4) . . ?
C1 N1 Ru1 126.8(3) . . ?
C5 N1 Ru1 116.0(3) . . ?
N1 C1 C2 123.5(5) . . ?
C1 C2 C3 120.1(5) . . ?
C2 C3 C4 116.4(5) . . ?
C2 C3 C6 121.6(5) . . ?
C4 C3 C6 121.9(5) . . ?
C5 C4 C3 120.3(5) . . ?
N1 C5 C4 122.7(5) . . ?
N1 C5 C7 113.9(4) . . ?
C4 C5 C7 123.3(4) . . ?
N2 C7 C8 122.0(5) . . ?
N2 C7 C5 115.3(4) . . ?
C8 C7 C5 122.6(5) . . ?
C7 C8 C9 120.3(5) . . ?
C10 C9 C8 116.7(5) . . ?
C10 C9 C12 122.2(5) . . ?
C8 C9 C12 121.0(5) . . ?
C9 C10 C11 121.1(5) . . ?
N2 C11 C10 121.5(5) . . ?
C11 N2 C7 118.4(4) . . ?
C11 N2 Ru1 124.4(3) . . ?
C7 N2 Ru1 117.1(3) . . ?
C14 C13 Ru1 177.0(5) . . ?
C13 C14 C15 176.9(8) . . ?
C14 C15 C16 110.6(6) . . ?
C14 C15 C17 110.4(7) . . ?
C16 C15 C17 113.3(9) . . ?
C14 C15 C18 109.6(6) . . ?
C16 C15 C18 104.4(9) . . ?
C17 C15 C18 108.4(7) . . ?
N4 N3 Ru1 175.9(5) . . ?
C1G P1 C1M 102.0(2) . . ?
C1G P1 C1A 107.4(3) . . ?
C1M P1 C1A 99.5(3) . . ?
C1G P1 Ru1 110.3(2) . . ?
C1M P1 Ru1 118.17(17) . . ?
C1A P1 Ru1 117.7(2) . . ?
C1F C1A C1B 119.1(7) . . ?
C1F C1A P1 115.4(5) . . ?
C1B C1A P1 125.3(6) . . ?
C1A C1B C1C 119.1(9) . . ?
C1D C1C C1B 120.7(9) . . ?
C1E C1D C1C 118.3(8) . . ?
C1D C1E C1F 122.0(9) . . ?
C1A C1F C1E 120.3(8) . . ?
C1L C1G C1H 117.2(6) . . ?
C1L C1G P1 121.2(4) . . ?
C1H C1G P1 120.8(5) . . ?
C1I C1H C1G 120.8(6) . . ?
C1H C1I C1J 120.1(6) . . ?
C1K C1J C1I 118.9(6) . . ?
C1L C1K C1J 120.5(7) . . ?
C1G C1L C1K 122.4(6) . . ?
C1R C1M C1N 119.1(5) . . ?
C1R C1M P1 122.3(4) . . ?
C1N C1M P1 118.6(4) . . ?
C1O C1N C1M 120.9(5) . . ?
C1N C1O C1P 119.2(6) . . ?
C1Q C1P C1O 120.4(5) . . ?
C1P C1Q C1R 120.9(5) . . ?
C1M C1R C1Q 119.7(5) . . ?
C2M P2 C2A 100.7(2) . . ?
C2M P2 C2G 103.6(2) . . ?
C2A P2 C2G 108.2(3) . . ?
C2M P2 Ru1 117.38(19) . . ?
C2A P2 Ru1 111.03(19) . . ?
C2G P2 Ru1 114.70(18) . . ?
C2B C2A C2F 118.2(5) . . ?
C2B C2A P2 125.4(4) . . ?
C2F C2A P2 116.0(4) . . ?
C2A C2B C2C 119.6(6) . . ?
C2D C2C C2B 121.6(6) . . ?
C2E C2D C2C 119.2(6) . . ?
C2D C2E C2F 120.3(6) . . ?
C2A C2F C2E 121.1(6) . . ?
C2H C2G C2L 118.7(5) . . ?
C2H C2G P2 119.9(4) . . ?
C2L C2G P2 121.2(4) . . ?
C2G C2H C2I 120.5(6) . . ?
C2J C2I C2H 120.3(6) . . ?
C2K C2J C2I 120.2(6) . . ?
C2J C2K C2L 119.8(6) . . ?
C2G C2L C2K 120.4(5) . . ?
C2N C2M C2R 118.4(5) . . ?
C2N C2M P2 118.7(4) . . ?
C2R C2M P2 122.8(4) . . ?
C2M C2N C2O 120.5(6) . . ?
C2P C2O C2N 119.2(6) . . ?
C2Q C2P C2O 121.1(6) . . ?
C2P C2Q C2R 120.3(7) . . ?
C2Q C2R C2M 120.4(6) . . ?
F3 P3 F5 89.9(4) . . ?
F3 P3 F4 87.9(5) . . ?
F5 P3 F4 176.4(4) . . ?
F3 P3 F1 179.0(4) . . ?
F5 P3 F1 91.1(4) . . ?
F4 P3 F1 91.2(4) . . ?
F3 P3 F6 89.9(4) . . ?
F5 P3 F6 87.6(3) . . ?
F4 P3 F6 89.7(3) . . ?
F1 P3 F6 90.6(3) . . ?
F3 P3 F2 89.4(3) . . ?
F5 P3 F2 92.7(4) . . ?
F4 P3 F2 90.0(3) . . ?
F1 P3 F2 90.0(3) . . ?
F6 P3 F2 179.3(4) . . ?
Cl1 C100 Cl2 117.4(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N3 1.994(5) . ?
Ru1 C13 2.032(5) . ?
Ru1 N2 2.084(4) . ?
Ru1 N1 2.124(4) . ?
Ru1 P1 2.3769(17) . ?
Ru1 P2 2.4010(17) . ?
N1 C1 1.349(6) . ?
N1 C5 1.364(6) . ?
C1 C2 1.371(7) . ?
C2 C3 1.394(7) . ?
C3 C4 1.409(7) . ?
C3 C6 1.501(8) . ?
C4 C5 1.368(7) . ?
C5 C7 1.491(7) . ?
C7 N2 1.355(6) . ?
C7 C8 1.386(7) . ?
C8 C9 1.394(8) . ?
C9 C10 1.382(8) . ?
C9 C12 1.510(7) . ?
C10 C11 1.391(7) . ?
C11 N2 1.345(6) . ?
C13 C14 1.179(7) . ?
C14 C15 1.483(9) . ?
C15 C16 1.494(11) . ?
C15 C17 1.506(12) . ?
C15 C18 1.598(12) . ?
N3 N4 1.011(6) . ?
P1 C1G 1.817(6) . ?
P1 C1M 1.838(5) . ?
P1 C1A 1.839(6) . ?
C1A C1F 1.357(9) . ?
C1A C1B 1.384(9) . ?
C1B C1C 1.416(13) . ?
C1C C1D 1.397(14) . ?
C1D C1E 1.313(12) . ?
C1E C1F 1.421(10) . ?
C1G C1L 1.371(8) . ?
C1G C1H 1.417(7) . ?
C1H C1I 1.383(9) . ?
C1I C1J 1.395(10) . ?
C1J C1K 1.381(10) . ?
C1K C1L 1.373(8) . ?
C1M C1R 1.390(7) . ?
C1M C1N 1.397(8) . ?
C1N C1O 1.381(8) . ?
C1O C1P 1.394(8) . ?
C1P C1Q 1.364(8) . ?
C1Q C1R 1.390(7) . ?
P2 C2M 1.830(5) . ?
P2 C2A 1.835(6) . ?
P2 C2G 1.841(5) . ?
C2A C2B 1.377(8) . ?
C2A C2F 1.393(7) . ?
C2B C2C 1.400(8) . ?
C2C C2D 1.368(9) . ?
C2D C2E 1.356(9) . ?
C2E C2F 1.393(8) . ?
C2G C2H 1.384(8) . ?
C2G C2L 1.394(7) . ?
C2H C2I 1.387(8) . ?
C2I C2J 1.376(9) . ?
C2J C2K 1.372(9) . ?
C2K C2L 1.397(8) . ?
C2M C2N 1.388(8) . ?
C2M C2R 1.395(8) . ?
C2N C2O 1.396(8) . ?
C2O C2P 1.372(10) . ?
C2P C2Q 1.356(10) . ?
C2Q C2R 1.381(8) . ?
P3 F3 1.554(6) . ?
P3 F5 1.557(6) . ?
P3 F4 1.558(6) . ?
P3 F1 1.565(5) . ?
P3 F6 1.573(5) . ?
P3 F2 1.573(5) . ?
C100 Cl1 1.652(10) . ?
C100 Cl2 1.705(10) . ?
