#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/75/4327596.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_4327596
loop_
_publ_author_name
'Rainer Haid'
'René Gutmann'
'Thomas Stampfl'
'Chistoph Langes'
'Georg Czermak'
'Holger Kopacka'
'Karl-Hans Ongania'
'Peter Brüggeller'
_publ_contact_author             'Peter Brüggeller'
_publ_contact_author_email       Peter.Brueggeller@uibk.ac.at
_publ_contact_author_fax         '043 512 5072934'
_publ_contact_author_phone       '043 512 5075115'
_publ_section_title
;
 Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine
 Complexes Induced by a Bis(bidentate) Phosphine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7099
_journal_page_last               7104
_journal_paper_doi               10.1021/ic010545+
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C96.32 H84.64 Cl8.64 F24 N8 P8 Ru2'
_chemical_formula_weight         2566.40
_chemical_name_systematic        Meso-[Ru2(dppcb)(bipy)4](PF6)4
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.48(1)
_cell_angle_beta                 92.19(1)
_cell_angle_gamma                115.06(1)
_cell_formula_units_Z            1
_cell_length_a                   12.463(2)
_cell_length_b                   13.271(2)
_cell_length_c                   17.795(2)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2643.9(7)
_computing_cell_refinement       'Software of the Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Software of the Siemens P4'
_computing_molecular_graphics    'SHELXTL PLUS'
_computing_publication_material  'SHELXTL PLUS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       omega-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  0.025
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12070
_diffrn_reflns_theta_max         26.52
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.555
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_description       prism
_exptl_crystal_F_000             1289
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         10588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0690P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_reflns_number_gt                5738
_reflns_number_total             10588
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ic0105452B_1.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C96.32 H84.64 F24 N8 P8 Cl8.64 Ru2'
_cod_database_code               4327596
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.01212(3) 0.15657(3) 0.20072(2) 0.02945(11) Uani 1 1 d .
P1 P 0.13663(9) 0.09368(9) 0.13607(6) 0.0285(2) Uani 1 1 d .
P2 P -0.13066(9) 0.05871(9) 0.10103(6) 0.0294(2) Uani 1 1 d .
N1 N 0.1020(3) 0.3199(3) 0.1722(2) 0.0377(9) Uani 1 1 d .
N2 N 0.1314(3) 0.2405(3) 0.2984(2) 0.0449(10) Uani 1 1 d .
C1A C 0.0862(4) 0.3605(4) 0.1079(3) 0.0467(12) Uani 1 1 d .
H1AA H 0.0363 0.3101 0.0679 0.070 Uiso 1 1 calc R
C2A C 0.1396(5) 0.4716(5) 0.0985(4) 0.0652(16) Uani 1 1 d .
H2AA H 0.1255 0.4956 0.0532 0.098 Uiso 1 1 calc R
C3A C 0.2133(6) 0.5463(5) 0.1561(5) 0.082(2) Uani 1 1 d .
H3AA H 0.2511 0.6221 0.1504 0.123 Uiso 1 1 calc R
C4A C 0.2317(6) 0.5098(5) 0.2222(4) 0.0757(19) Uani 1 1 d .
H4AA H 0.2809 0.5605 0.2624 0.114 Uiso 1 1 calc R
C5A C 0.1764(4) 0.3963(4) 0.2290(3) 0.0514(13) Uani 1 1 d .
C6A C 0.1920(4) 0.3523(5) 0.2991(3) 0.0527(13) Uani 1 1 d .
C7A C 0.2651(6) 0.4200(6) 0.3624(4) 0.089(2) Uani 1 1 d .
H7AA H 0.3030 0.4976 0.3640 0.134 Uiso 1 1 calc R
C8A C 0.2788(7) 0.3669(8) 0.4228(4) 0.112(3) Uani 1 1 d .
H8AA H 0.3321 0.4089 0.4642 0.168 Uiso 1 1 calc R
C9A C 0.2164(6) 0.2553(7) 0.4228(4) 0.088(2) Uani 1 1 d .
H9AA H 0.2234 0.2214 0.4650 0.133 Uiso 1 1 calc R
C10A C 0.1432(5) 0.1928(5) 0.3606(3) 0.0596(15) Uani 1 1 d .
H10A H 0.1003 0.1159 0.3607 0.089 Uiso 1 1 calc R
N3 N -0.1054(3) 0.2056(3) 0.2612(2) 0.0406(9) Uani 1 1 d .
N4 N -0.0740(3) 0.0206(3) 0.26147(19) 0.0359(8) Uani 1 1 d .
C1B C -0.1205(4) 0.2981(4) 0.2564(3) 0.0525(13) Uani 1 1 d .
H1BA H -0.0747 0.3483 0.2245 0.079 Uiso 1 1 calc R
C2B C -0.2002(6) 0.3235(6) 0.2960(4) 0.0744(18) Uani 1 1 d .
H2BA H -0.2100 0.3879 0.2898 0.112 Uiso 1 1 calc R
C3B C -0.2645(6) 0.2516(6) 0.3446(4) 0.085(2) Uani 1 1 d .
H3BA H -0.3192 0.2667 0.3720 0.128 Uiso 1 1 calc R
C4B C -0.2485(5) 0.1575(6) 0.3529(3) 0.0702(17) Uani 1 1 d .
H4BA H -0.2905 0.1094 0.3870 0.105 Uiso 1 1 calc R
C5B C -0.1684(4) 0.1342(4) 0.3097(3) 0.0463(12) Uani 1 1 d .
C6B C -0.1484(4) 0.0348(4) 0.3109(2) 0.0432(11) Uani 1 1 d .
C7B C -0.2026(5) -0.0460(5) 0.3590(3) 0.0657(16) Uani 1 1 d .
H7BA H -0.2542 -0.0366 0.3923 0.099 Uiso 1 1 calc R
C8B C -0.1813(6) -0.1371(6) 0.3580(4) 0.0773(19) Uani 1 1 d .
H8BA H -0.2161 -0.1892 0.3915 0.116 Uiso 1 1 calc R
C9B C -0.1077(5) -0.1529(5) 0.3072(3) 0.0603(15) Uani 1 1 d .
H9BA H -0.0923 -0.2158 0.3049 0.090 Uiso 1 1 calc R
C10B C -0.0580(4) -0.0724(4) 0.2601(3) 0.0453(11) Uani 1 1 d .
H10B H -0.0098 -0.0835 0.2248 0.068 Uiso 1 1 calc R
C1 C 0.0516(3) -0.0095(3) 0.0490(2) 0.0249(8) Uani 1 1 d .
H1A H 0.0518 -0.0826 0.0532 0.037 Uiso 1 1 calc R
C2 C -0.0795(3) -0.0238(3) 0.0320(2) 0.0269(8) Uani 1 1 d .
H2A H -0.1346 -0.1034 0.0282 0.040 Uiso 1 1 calc R
C11 C 0.2000(4) 0.0204(4) 0.1928(2) 0.0386(10) Uani 1 1 d .
C12 C 0.2718(4) 0.0835(5) 0.2581(3) 0.0555(14) Uani 1 1 d .
H12A H 0.2883 0.1588 0.2686 0.083 Uiso 1 1 calc R
C13 C 0.3194(5) 0.0342(6) 0.3080(3) 0.0686(17) Uani 1 1 d .
H13A H 0.3670 0.0768 0.3514 0.103 Uiso 1 1 calc R
C14 C 0.2960(6) -0.0757(7) 0.2930(4) 0.076(2) Uani 1 1 d .
H14A H 0.3276 -0.1082 0.3262 0.114 Uiso 1 1 calc R
C15 C 0.2268(5) -0.1383(5) 0.2297(4) 0.0682(17) Uani 1 1 d .
H15A H 0.2113 -0.2135 0.2199 0.102 Uiso 1 1 calc R
C16 C 0.1786(4) -0.0913(4) 0.1793(3) 0.0512(12) Uani 1 1 d .
H16A H 0.1315 -0.1353 0.1362 0.077 Uiso 1 1 calc R
C21 C 0.2717(3) 0.1989(3) 0.1027(2) 0.0336(9) Uani 1 1 d .
C22 C 0.3864(4) 0.2110(4) 0.1251(3) 0.0501(13) Uani 1 1 d .
H22A H 0.3960 0.1645 0.1580 0.075 Uiso 1 1 calc R
C23 C 0.4845(4) 0.2915(5) 0.0985(4) 0.0686(17) Uani 1 1 d .
H23A H 0.5598 0.2991 0.1145 0.103 Uiso 1 1 calc R
C24 C 0.4743(5) 0.3594(5) 0.0501(5) 0.086(2) Uani 1 1 d .
H24A H 0.5418 0.4134 0.0329 0.129 Uiso 1 1 calc R
C25 C 0.3636(5) 0.3481(4) 0.0264(4) 0.0638(16) Uani 1 1 d .
H25A H 0.3559 0.3941 -0.0076 0.096 Uiso 1 1 calc R
C26 C 0.2633(4) 0.2692(3) 0.0526(3) 0.0412(11) Uani 1 1 d .
H26A H 0.1888 0.2632 0.0362 0.062 Uiso 1 1 calc R
C31 C -0.2107(3) 0.1156(4) 0.0420(2) 0.0348(9) Uani 1 1 d .
C32 C -0.3002(4) 0.0407(4) -0.0109(3) 0.0462(12) Uani 1 1 d .
H32A H -0.3107 -0.0332 -0.0197 0.069 Uiso 1 1 calc R
C33 C -0.3743(5) 0.0746(5) -0.0508(3) 0.0567(14) Uani 1 1 d .
H33A H -0.4332 0.0241 -0.0868 0.085 Uiso 1 1 calc R
C34 C -0.3599(5) 0.1837(5) -0.0366(3) 0.0602(15) Uani 1 1 d .
H34A H -0.4103 0.2065 -0.0626 0.090 Uiso 1 1 calc R
C35 C -0.2735(5) 0.2576(5) 0.0148(3) 0.0555(13) Uani 1 1 d .
H35A H -0.2636 0.3314 0.0230 0.083 Uiso 1 1 calc R
C36 C -0.1989(4) 0.2249(4) 0.0556(3) 0.0471(12) Uani 1 1 d .
H36A H -0.1412 0.2760 0.0921 0.071 Uiso 1 1 calc R
C41 C -0.2625(3) -0.0474(4) 0.1373(2) 0.0384(10) Uani 1 1 d .
C42 C -0.3421(4) -0.0098(5) 0.1691(3) 0.0549(14) Uani 1 1 d .
H42A H -0.3316 0.0632 0.1659 0.082 Uiso 1 1 calc R
C43 C -0.4367(5) -0.0813(7) 0.2053(3) 0.075(2) Uani 1 1 d .
H43A H -0.4891 -0.0562 0.2270 0.112 Uiso 1 1 calc R
C44 C -0.4521(5) -0.1900(7) 0.2088(4) 0.087(2) Uani 1 1 d .
H44A H -0.5150 -0.2380 0.2332 0.130 Uiso 1 1 calc R
C45 C -0.3755(6) -0.2282(6) 0.1765(3) 0.079(2) Uani 1 1 d .
H45A H -0.3874 -0.3019 0.1786 0.119 Uiso 1 1 calc R
C46 C -0.2806(4) -0.1566(4) 0.1410(3) 0.0526(13) Uani 1 1 d .
H46A H -0.2286 -0.1825 0.1196 0.079 Uiso 1 1 calc R
P3 P 0.88272(17) 0.59732(14) 0.13455(11) 0.0709(5) Uani 1 1 d .
F1 F 0.7856(6) 0.6036(8) 0.1807(4) 0.219(4) Uani 1 1 d .
F2 F 0.9058(5) 0.7131(4) 0.1060(4) 0.173(3) Uani 1 1 d .
F3 F 0.9756(6) 0.6555(6) 0.1989(4) 0.195(3) Uani 1 1 d .
F4 F 0.9753(7) 0.5971(9) 0.0829(4) 0.227(4) Uani 1 1 d .
F5 F 0.8627(7) 0.4837(4) 0.1548(5) 0.218(4) Uani 1 1 d .
F6 F 0.7804(4) 0.5387(4) 0.0667(3) 0.1353(19) Uani 1 1 d .
P4 P 0.46765(17) 0.76565(18) 0.45220(11) 0.0847(6) Uani 1 1 d .
F7 F 0.5191(6) 0.8757(5) 0.4113(4) 0.177(3) Uani 1 1 d .
F8 F 0.3821(19) 0.6658(10) 0.4824(9) 0.165(7) Uani 0.60 1 d P
F8A F 0.3448(17) 0.729(4) 0.439(3) 0.31(2) Uani 0.40 1 d P
F9 F 0.3822(19) 0.7175(11) 0.3750(8) 0.145(5) Uani 0.60 1 d P
F9A F 0.472(4) 0.6992(16) 0.3753(10) 0.161(10) Uani 0.40 1 d P
F10 F 0.3899(13) 0.8240(8) 0.4837(9) 0.140(4) Uani 0.60 1 d P
F10A F 0.445(4) 0.6356(15) 0.4703(14) 0.203(15) Uani 0.40 1 d P
F11 F 0.5564(15) 0.7235(17) 0.4215(15) 0.202(9) Uani 0.60 1 d P
F11A F 0.6023(15) 0.816(2) 0.4677(14) 0.148(10) Uani 0.40 1 d P
F12 F 0.4857(16) 0.7974(17) 0.5389(7) 0.242(11) Uani 0.60 1 d P
F12A F 0.569(3) 0.828(3) 0.5095(17) 0.206(13) Uani 0.40 1 d P
C3 C 0.6046(18) 0.5433(15) 0.3229(13) 0.272(10) Uani 1 1 d .
Cl1 Cl 0.7305(4) 0.5572(3) 0.3752(3) 0.0866(11) Uani 0.50 1 d P
Cl2 Cl 0.5197(8) 0.3924(9) 0.2920(7) 0.235(6) Uani 0.50 1 d P
Cl1A Cl 0.5101(10) 0.4744(8) 0.2506(7) 0.227(6) Uani 0.50 1 d P
Cl2A Cl 0.6141(16) 0.4743(13) 0.3773(5) 0.315(9) Uani 0.50 1 d P
C4 C -0.007(6) 0.581(5) 0.470(7) 0.71(10) Uani 0.76 1 d P
C4C C 0.095(9) 0.809(10) 0.449(3) 0.38(7) Uani 0.40 1 d P
Cl3 Cl 0.0596(12) 0.6320(13) 0.3601(7) 0.172(5) Uani 0.38 1 d P
Cl4 Cl 0.079(3) 0.898(4) 0.4753(16) 0.85(9) Uani 0.38 1 d P
Cl5 Cl 0.0984(19) 0.689(5) 0.4455(19) 0.57(3) Uani 0.45 1 d P
Cl6 Cl -0.027(8) 0.706(13) 0.450(7) 0.41(8) Uani 0.11 1 d P
Cl3A Cl 0.046(2) 0.556(2) 0.3909(16) 0.293(13) Uani 0.33 1 d P
Cl4A Cl 0.041(3) 0.783(4) 0.4775(13) 0.41(3) Uani 0.40 1 d P
Cl5A Cl 0.004(3) 0.647(6) 0.513(2) 0.39(3) Uani 0.27 1 d P
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
N4 Ru1 N1 162.52(13) .
N4 Ru1 N2 88.57(15) .
N1 Ru1 N2 77.67(15) .
N4 Ru1 N3 77.54(15) .
N1 Ru1 N3 90.09(14) .
N2 Ru1 N3 83.46(14) .
N4 Ru1 P2 87.48(10) .
N1 Ru1 P2 105.65(11) .
N2 Ru1 P2 175.10(11) .
N3 Ru1 P2 92.87(10) .
N4 Ru1 P1 99.63(11) .
N1 Ru1 P1 92.78(10) .
N2 Ru1 P1 97.01(11) .
N3 Ru1 P1 177.13(12) .
P2 Ru1 P1 86.50(4) .
C11 P1 C21 100.9(2) .
C11 P1 C1 106.1(2) .
C21 P1 C1 106.04(17) .
C11 P1 Ru1 113.92(14) .
C21 P1 Ru1 118.03(14) .
C1 P1 Ru1 110.69(12) .
C31 P2 C41 96.8(2) .
C31 P2 C2 104.84(18) .
C41 P2 C2 104.61(19) .
C31 P2 Ru1 126.60(15) .
C41 P2 Ru1 109.38(14) .
C2 P2 Ru1 111.85(12) .
C1A N1 C5A 116.3(4) .
C1A N1 Ru1 128.4(3) .
C5A N1 Ru1 115.0(3) .
C6A N2 C10A 119.1(4) .
C6A N2 Ru1 115.0(3) .
C10A N2 Ru1 125.7(4) .
N1 C1A C2A 123.7(5) .
C3A C2A C1A 119.0(6) .
C2A C3A C4A 119.7(6) .
C3A C4A C5A 119.3(6) .
N1 C5A C4A 122.1(6) .
N1 C5A C6A 116.2(4) .
C4A C5A C6A 121.7(5) .
N2 C6A C7A 121.5(6) .
N2 C6A C5A 115.5(4) .
C7A C6A C5A 123.0(5) .
C8A C7A C6A 117.1(6) .
C9A C8A C7A 121.3(6) .
C8A C9A C10A 119.4(7) .
N2 C10A C9A 121.3(6) .
C1B N3 C5B 118.7(4) .
C1B N3 Ru1 126.4(3) .
C5B N3 Ru1 114.9(3) .
C10B N4 C6B 117.8(4) .
C10B N4 Ru1 127.4(3) .
C6B N4 Ru1 114.7(3) .
N3 C1B C2B 123.3(5) .
C3B C2B C1B 118.3(6) .
C2B C3B C4B 120.0(5) .
C3B C4B C5B 119.4(6) .
N3 C5B C4B 120.3(5) .
N3 C5B C6B 115.3(4) .
C4B C5B C6B 124.4(5) .
N4 C6B C7B 119.7(5) .
N4 C6B C5B 117.1(4) .
C7B C6B C5B 123.2(4) .
C8B C7B C6B 121.1(5) .
C7B C8B C9B 119.6(5) .
C10B C9B C8B 117.4(5) .
N4 C10B C9B 124.5(5) .
C2 C1 C2 89.5(3) 2
C2 C1 P1 120.3(3) 2
C2 C1 P1 114.6(2) .
C1 C2 C1 90.5(3) 2
C1 C2 P2 121.0(3) 2
C1 C2 P2 115.9(3) .
C16 C11 C12 117.7(5) .
C16 C11 P1 126.5(4) .
C12 C11 P1 115.7(4) .
C11 C12 C13 120.6(6) .
C14 C13 C12 120.0(6) .
C13 C14 C15 120.3(5) .
C14 C15 C16 120.7(6) .
C11 C16 C15 120.7(5) .
C26 C21 C22 117.1(4) .
C26 C21 P1 120.2(3) .
C22 C21 P1 122.7(4) .
C23 C22 C21 120.2(5) .
C24 C23 C22 121.7(5) .
C23 C24 C25 119.2(5) .
C24 C25 C26 120.7(6) .
C25 C26 C21 121.1(5) .
C32 C31 C36 118.4(4) .
C32 C31 P2 117.5(3) .
C36 C31 P2 123.3(3) .
C31 C32 C33 120.9(5) .
C34 C33 C32 119.4(5) .
C35 C34 C33 120.4(5) .
C34 C35 C36 120.9(5) .
C35 C36 C31 119.9(5) .
C46 C41 C42 119.2(4) .
C46 C41 P2 124.0(4) .
C42 C41 P2 116.5(4) .
C43 C42 C41 120.3(6) .
C44 C43 C42 119.3(6) .
C45 C44 C43 120.8(5) .
C44 C45 C46 119.9(7) .
C41 C46 C45 120.5(6) .
F3 P3 F5 92.2(4) .
F3 P3 F4 90.9(5) .
F5 P3 F4 90.9(5) .
F3 P3 F1 92.4(5) .
F5 P3 F1 93.8(5) .
F4 P3 F1 174.1(5) .
F3 P3 F2 90.8(4) .
F5 P3 F2 174.8(5) .
F4 P3 F2 84.9(4) .
F1 P3 F2 90.2(5) .
F3 P3 F6 177.4(4) .
F5 P3 F6 89.5(3) .
F4 P3 F6 91.0(4) .
F1 P3 F6 85.6(4) .
F2 P3 F6 87.6(3) .
F8A P4 F8 57.8(17) .
F8A P4 F12A 143(2) .
F8 P4 F12A 109.1(18) .
F8A P4 F11A 175(2) .
F8 P4 F11A 125.6(12) .
F12A P4 F11A 34.7(11) .
F8A P4 F11 134(2) .
F8 P4 F11 101.5(9) .
F12A P4 F11 80.4(12) .
F11A P4 F11 50.4(10) .
F8A P4 F12 101(2) .
F8 P4 F12 75.2(9) .
F12A P4 F12 43.4(12) .
F11A P4 F12 77.4(9) .
F11 P4 F12 113.2(13) .
F8A P4 F10 52(2) .
F8 P4 F10 85.4(8) .
F12A P4 F10 95.1(11) .
F11A P4 F10 123.4(12) .
F11 P4 F10 172.7(9) .
F12 P4 F10 65.9(9) .
F8A P4 F9A 91(2) .
F8 P4 F9A 94.3(11) .
F12A P4 F9A 125.5(19) .
F11A P4 F9A 91.8(17) .
F11 P4 F9A 46.3(11) .
F12 P4 F9A 155.5(14) .
F10 P4 F9A 136.4(15) .
F8A P4 F7 103(2) .
F8 P4 F7 160.5(10) .
F12A P4 F7 85.3(15) .
F11A P4 F7 73.7(8) .
F11 P4 F7 93.8(10) .
F12 P4 F7 110.0(8) .
F10 P4 F7 80.1(5) .
F9A P4 F7 87.4(7) .
F8A P4 F9 49.5(17) .
F8 P4 F9 85.6(9) .
F12A P4 F9 164.5(17) .
F11A P4 F9 132.0(11) .
F11 P4 F9 92.2(9) .
F12 P4 F9 150.6(10) .
F10 P4 F9 90.9(9) .
F9A P4 F9 45.9(11) .
F7 P4 F9 81.6(6) .
F8A P4 F10A 90(2) .
F8 P4 F10A 37.7(15) .
F12A P4 F10A 96.6(16) .
F11A P4 F10A 94.9(17) .
F11 P4 F10A 64.1(13) .
F12 P4 F10A 86.2(13) .
F10 P4 F10A 122.4(17) .
F9A P4 F10A 72.8(12) .
F7 P4 F10A 157.0(15) .
F9 P4 F10A 92.2(10) .
F10A F8 F8A 128(3) .
F10A F8 P4 83(2) .
F8A F8 P4 58.4(10) .
F9 F8A F10 122(3) .
F9 F8A F8 104(3) .
F10 F8A F8 99(3) .
F9 F8A P4 73.7(18) .
F10 F8A P4 70.5(13) .
F8 F8A P4 63.8(15) .
F9A F9 F8A 116(2) .
F9A F9 P4 65.6(11) .
F8A F9 P4 56.7(11) .
F11 F9A F9 134(2) .
F11 F9A P4 65.2(10) .
F9 F9A P4 68.6(15) .
F8A F10 P4 57.4(14) .
F8A F10 F12 98(2) .
P4 F10 F12 56.4(5) .
F8 F10A P4 59.6(12) .
F8 F10A F11 112.4(18) .
P4 F10A F11 53.4(8) .
F9A F11 F11A 123.5(18) .
F9A F11 P4 68.5(14) .
F11A F11 P4 64.4(9) .
F9A F11 F10A 80.6(16) .
F11A F11 F10A 102.7(15) .
P4 F11 F10A 62.5(10) .
F12A F11A F11 124(3) .
F12A F11A P4 69.9(19) .
F11 F11A P4 65.2(12) .
F12A F12 P4 65.3(11) .
F12A F12 F10 104(2) .
P4 F12 F10 57.7(7) .
F11A F12A F12 144(4) .
F11A F12A P4 75(2) .
F12 F12A P4 71.4(14) .
Cl2A C3 Cl1A 113.9(15) .
Cl2A C3 Cl1 51.9(10) .
Cl1A C3 Cl1 145.2(14) .
Cl2A C3 Cl2 66.6(11) .
Cl1A C3 Cl2 47.7(7) .
Cl1 C3 Cl2 105.9(11) .
Cl2A Cl1 C3 53.2(8) .
Cl1A Cl2 Cl2A 103.6(8) .
Cl1A Cl2 C3 58.0(9) .
Cl2A Cl2 C3 45.9(7) .
Cl2 Cl1A C3 74.3(11) .
Cl1 Cl2A C3 74.9(12) .
Cl1 Cl2A Cl2 122.8(7) .
C3 Cl2A Cl2 67.5(9) .
Cl5A C4 Cl5 75(5) .
Cl5A C4 Cl3A 141(10) .
Cl5 C4 Cl3A 66(5) .
Cl5A C4 Cl6 57(6) .
Cl5 C4 Cl6 58(3) .
Cl3A C4 Cl6 100(9) .
Cl5A C4 Cl3 116(9) .
Cl5 C4 Cl3 46(4) .
Cl3A C4 Cl3 30(3) .
Cl6 C4 Cl3 70(6) .
Cl4A C4C Cl4 77(5) .
Cl4A C4C Cl6 40(8) .
Cl4 C4C Cl6 106(7) .
Cl4A C4C Cl5 85(9) .
Cl4 C4C Cl5 160(6) .
Cl6 C4C Cl5 64(6) .
Cl3A Cl3 Cl5 79(2) .
Cl3A Cl3 C4 46(2) .
Cl5 Cl3 C4 46.3(15) .
Cl3A Cl3 Cl6 94(2) .
Cl5 Cl3 Cl6 46(3) .
C4 Cl3 Cl6 48(2) .
C4C Cl4 Cl4A 35(5) .
C4C Cl4 Cl6 40(5) .
Cl4A Cl4 Cl6 18(2) .
Cl3 Cl5 C4 88(4) .
Cl3 Cl5 C4C 107(4) .
C4 Cl5 C4C 123(5) .
Cl3 Cl5 Cl5A 121(2) .
C4 Cl5 Cl5A 38(2) .
C4C Cl5 Cl5A 93(4) .
Cl3 Cl5 Cl6 91(6) .
C4 Cl5 Cl6 69(4) .
C4C Cl5 Cl6 57(6) .
Cl5A Cl5 Cl6 55(3) .
Cl3 Cl5 Cl4A 117(3) .
C4 Cl5 Cl4A 96(3) .
C4C Cl5 Cl4A 28(3) .
Cl5A Cl5 Cl4A 65(3) .
Cl6 Cl5 Cl4A 36(6) .
Cl3 Cl5 Cl3A 39.4(13) .
C4 Cl5 Cl3A 58(4) .
C4C Cl5 Cl3A 143(4) .
Cl5A Cl5 Cl3A 96(4) .
Cl6 Cl5 Cl3A 101(7) .
Cl4A Cl5 Cl3A 138(2) .
Cl4A Cl6 C4C 30(3) .
Cl4A Cl6 Cl5A 88(9) .
C4C Cl6 Cl5A 100(8) .
Cl4A Cl6 Cl5 75(5) .
C4C Cl6 Cl5 59(4) .
Cl5A Cl6 Cl5 63(4) .
Cl4A Cl6 C4 114(8) .
C4C Cl6 C4 111(5) .
Cl5A Cl6 C4 36(3) .
Cl5 Cl6 C4 54(3) .
Cl4A Cl6 Cl4 23(4) .
C4C Cl6 Cl4 33(4) .
Cl5A Cl6 Cl4 111(9) .
Cl5 Cl6 Cl4 91(6) .
C4 Cl6 Cl4 137(7) .
Cl4A Cl6 Cl3 107(4) .
C4C Cl6 Cl3 80(4) .
Cl5A Cl6 Cl3 92(5) .
Cl5 Cl6 Cl3 43(3) .
C4 Cl6 Cl3 63(6) .
Cl4 Cl6 Cl3 111(3) .
Cl3 Cl3A C4 103(4) .
Cl3 Cl3A Cl5 62(2) .
C4 Cl3A Cl5 56(2) .
C4C Cl4A Cl6 110(8) .
C4C Cl4A Cl4 67(8) .
Cl6 Cl4A Cl4 139(5) .
C4C Cl4A Cl5 66(6) .
Cl6 Cl4A Cl5 68(5) .
Cl4 Cl4A Cl5 133(4) .
C4C Cl4A Cl5A 122(5) .
Cl6 Cl4A Cl5A 57(5) .
Cl4 Cl4A Cl5A 161(2) .
Cl5 Cl4A Cl5A 56(2) .
C4 Cl5A Cl6 88(8) .
C4 Cl5A Cl5 67(6) .
Cl6 Cl5A Cl5 62(4) .
C4 Cl5A Cl4A 114(9) .
Cl6 Cl5A Cl4A 35(7) .
Cl5 Cl5A Cl4A 59(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N4 2.097(4) .
Ru1 N1 2.100(4) .
Ru1 N2 2.121(4) .
Ru1 N3 2.127(4) .
Ru1 P2 2.3154(11) .
Ru1 P1 2.3406(11) .
P1 C11 1.835(5) .
P1 C21 1.839(4) .
P1 C1 1.907(4) .
P2 C31 1.837(4) .
P2 C41 1.843(4) .
P2 C2 1.873(4) .
N1 C1A 1.351(6) .
N1 C5A 1.359(6) .
N2 C6A 1.349(6) .
N2 C10A 1.360(7) .
C1A C2A 1.367(7) .
C2A C3A 1.356(9) .
C3A C4A 1.363(9) .
C4A C5A 1.385(7) .
C5A C6A 1.467(8) .
C6A C7A 1.394(7) .
C7A C8A 1.383(11) .
C8A C9A 1.350(11) .
C9A C10A 1.361(8) .
N3 C1B 1.328(6) .
N3 C5B 1.355(6) .
N4 C10B 1.329(6) .
N4 C6B 1.359(5) .
C1B C2B 1.374(7) .
C2B C3B 1.365(9) .
C3B C4B 1.366(9) .
C4B C5B 1.399(7) .
C5B C6B 1.445(7) .
C6B C7B 1.395(7) .
C7B C8B 1.341(9) .
C8B C9B 1.376(8) .
C9B C10B 1.370(7) .
C1 C2 1.558(5) 2
C1 C2 1.577(5) .
C2 C1 1.558(5) 2
C11 C16 1.385(7) .
C11 C12 1.397(6) .
C12 C13 1.403(8) .
C13 C14 1.357(9) .
C14 C15 1.358(9) .
C15 C16 1.392(7) .
C21 C26 1.382(6) .
C21 C22 1.407(6) .
C22 C23 1.376(7) .
C23 C24 1.344(9) .
C24 C25 1.368(9) .
C25 C26 1.380(7) .
C31 C32 1.385(6) .
C31 C36 1.391(6) .
C32 C33 1.386(7) .
C33 C34 1.379(8) .
C34 C35 1.347(7) .
C35 C36 1.390(7) .
C41 C46 1.378(7) .
C41 C42 1.400(7) .
C42 C43 1.391(8) .
C43 C44 1.379(10) .
C44 C45 1.376(10) .
C45 C46 1.386(7) .
P3 F3 1.490(6) .
P3 F5 1.503(5) .
P3 F4 1.504(6) .
P3 F1 1.515(6) .
P3 F2 1.578(5) .
P3 F6 1.597(5) .
P4 F8A 1.40(2) .
P4 F8 1.471(13) .
P4 F12A 1.48(2) .
P4 F11A 1.522(18) .
P4 F11 1.532(11) .
P4 F12 1.541(12) .
P4 F10 1.564(9) .
P4 F9A 1.570(19) .
P4 F7 1.588(6) .
P4 F9 1.605(13) .
P4 F10A 1.693(17) .
F8 F10A 1.04(4) .
F8 F8A 1.39(4) .
F8A F9 1.27(4) .
F8A F10 1.31(4) .
F9 F9A 1.24(3) .
F9A F11 1.22(3) .
F10 F12 1.69(2) .
F10A F11 1.72(3) .
F11 F11A 1.30(3) .
F11A F12A 0.90(3) .
F12 F12A 1.12(3) .
C3 Cl2A 1.43(2) .
C3 Cl1A 1.62(2) .
C3 Cl1 1.724(18) .
C3 Cl2 1.839(19) .
Cl1 Cl2A 1.406(18) .
Cl2 Cl1A 1.414(17) .
Cl2 Cl2A 1.825(17) .
C4 Cl5A 1.07(5) .
C4 Cl5 1.60(9) .
C4 Cl3A 1.64(10) .
C4 Cl6 1.85(11) .
C4 Cl3 2.21(12) .
C4C Cl4A 0.83(10) .
C4C Cl4 1.32(10) .
C4C Cl6 1.56(17) .
C4C Cl5 1.60(10) .
Cl3 Cl3A 1.15(3) .
Cl3 Cl5 1.59(3) .
Cl3 Cl6 2.33(12) .
Cl4 Cl4A 1.40(7) .
Cl4 Cl6 2.31(17) .
Cl5 Cl5A 1.68(6) .
Cl5 Cl6 1.67(7) .
Cl5 Cl4A 1.74(5) .
Cl5 Cl3A 1.77(5) .
Cl6 Cl4A 1.07(17) .
Cl6 Cl5A 1.54(8) .
Cl4A Cl5A 1.84(8) .
