#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/46/7114666.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_7114666
loop_
_publ_author_name
'Rigaut, Stéphane'
'Le Pichon, Luc'
'Touchard, Daniel'
'Dixneuf, Pierre H.'
'Daran, Jean-Claude'
_publ_section_title
;
 A new binuclear ruthenium complex with an annelated C7 bridge via an
 unprecedented [2 + 2] coupling reaction
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1206
_journal_paper_doi               10.1039/b103301h
_journal_year                    2001
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H48 Cl1 F3 P4 Ru1'
_chemical_formula_structural     'C58 H48 CL F3 P4.5 RU1'
_chemical_formula_sum            'C58 H48 Cl F3 P4 Ru'
_chemical_formula_weight         1077.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.204(13)
_cell_angle_beta                 98.910(12)
_cell_angle_gamma                101.264(13)
_cell_formula_units_Z            2
_cell_length_a                   9.7811(10)
_cell_length_b                   12.1069(14)
_cell_length_c                   20.503(2)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      24.20
_cell_measurement_theta_min      1.89
_cell_volume                     2334.0(5)
_computing_cell_refinement       'Stoe IPDS software (Stoe, 1996)'
_computing_data_collection       'Stoe IPDS software (Stoe, 1996)'
_computing_data_reduction        'XRED (Stoe, 1.08, 1996)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       φ
_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  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19015
_diffrn_reflns_theta_full        24.20
_diffrn_reflns_theta_max         24.20
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  'every frame'
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  0.6975
_exptl_absorpt_correction_T_min  0.2367
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Sheldrick, G.M. (anon) SHELX97 Release 97-2 (1998)
I/sigma threshold for reflections     =   5.000
Delta(U)/lambda**2                    =   0.000
Highest even order spherical harmonic =       6
Highest odd  order spherical harmonic =       3
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'flat box'
_exptl_crystal_F_000             1103
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         6976
_refine_ls_number_restraints     336
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0498P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                5466
_reflns_number_total             6976
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b103301h.txt
_cod_data_source_block           (3)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2334.0(4)
_cod_original_formula_sum        'C58 H48 Cl1 F3 P4 Ru1'
_cod_database_code               7114666
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_factor_mur        0.000
_exptl_absorpt_rmerge_before     0.0599
_exptl_absorpt_rmerge_after      0.0577
#END Tags that were not found in dictionaries
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 0.42482(2) 0.906548(17) 0.725712(10) 0.01587(8) Uani 1 1 d .
Cl1 Cl 0.40232(7) 0.87606(6) 0.60220(3) 0.02382(16) Uani 1 1 d .
P1 P 0.0000 0.0000 0.0000 0.0367(3) Uani 1 2 d SU
P11 P 0.57693(7) 0.77789(6) 0.74710(3) 0.01876(16) Uani 1 1 d .
P21 P 0.64319(7) 1.04648(6) 0.75341(3) 0.01892(16) Uani 1 1 d .
P31 P 0.21217(7) 0.76247(6) 0.69727(3) 0.01980(16) Uani 1 1 d .
P41 P 0.26368(7) 1.03124(6) 0.70773(3) 0.01896(16) Uani 1 1 d .
F11 F 0.0153(3) -0.02346(19) -0.07548(11) 0.0673(7) Uani 1 1 d U
F12 F -0.0012(2) -0.13072(17) 0.00807(10) 0.0502(5) Uani 1 1 d U
F13 F -0.1667(2) -0.0291(2) -0.02048(14) 0.0694(7) Uani 1 1 d U
C1 C 0.4396(3) 0.9334(2) 0.82118(14) 0.0193(6) Uani 1 1 d U
C2 C 0.4612(3) 0.9544(2) 0.88191(14) 0.0245(6) Uani 1 1 d U
C3 C 0.4832(3) 0.9805(2) 0.94978(14) 0.0234(6) Uani 1 1 d U
C4 C 0.5100(5) 0.9168(3) 1.00565(17) 0.0598(12) Uani 1 1 d U
C11 C 0.7583(3) 0.8584(2) 0.75181(14) 0.0229(6) Uani 1 1 d U
H11A H 0.8266 0.8164 0.7733 0.027 Uiso 1 1 calc R
H11B H 0.7774 0.8682 0.7064 0.027 Uiso 1 1 calc R
C21 C 0.7767(3) 0.9735(2) 0.79179(14) 0.0227(6) Uani 1 1 d U
H21A H 0.8728 1.0190 0.7925 0.027 Uiso 1 1 calc R
H21B H 0.7652 0.9641 0.8382 0.027 Uiso 1 1 calc R
C31 C 0.0755(3) 0.8306(2) 0.65628(14) 0.0243(6) Uani 1 1 d U
H31A H 0.0923 0.8447 0.6111 0.029 Uiso 1 1 calc R
H31B H -0.0194 0.7811 0.6524 0.029 Uiso 1 1 calc R
C41 C 0.0842(3) 0.9422(2) 0.69875(15) 0.0249(6) Uani 1 1 d U
H41A H 0.0627 0.9273 0.7432 0.030 Uiso 1 1 calc R
H41B H 0.0136 0.9825 0.6775 0.030 Uiso 1 1 calc R
C111 C 0.5789(3) 0.7223(2) 0.82782(14) 0.0215(6) Uani 1 1 d U
C112 C 0.4517(3) 0.6630(2) 0.84154(15) 0.0277(7) Uani 1 1 d U
H112 H 0.3674 0.6525 0.8095 0.033 Uiso 1 1 calc R
C113 C 0.4471(3) 0.6193(3) 0.90158(16) 0.0324(7) Uani 1 1 d U
H113 H 0.3600 0.5781 0.9102 0.039 Uiso 1 1 calc R
C114 C 0.5679(4) 0.6352(3) 0.94867(15) 0.0327(7) Uani 1 1 d U
H114 H 0.5641 0.6061 0.9900 0.039 Uiso 1 1 calc R
C115 C 0.6945(4) 0.6937(3) 0.93574(15) 0.0323(7) Uani 1 1 d U
H115 H 0.7785 0.7041 0.9680 0.039 Uiso 1 1 calc R
C116 C 0.6994(3) 0.7376(2) 0.87528(15) 0.0271(7) Uani 1 1 d U
H116 H 0.7869 0.7784 0.8668 0.033 Uiso 1 1 calc R
C121 C 0.5838(3) 0.6529(2) 0.69106(14) 0.0242(6) Uani 1 1 d U
C122 C 0.5751(3) 0.6612(2) 0.62360(15) 0.0303(7) Uani 1 1 d U
H122 H 0.5566 0.7283 0.6067 0.036 Uiso 1 1 calc R
C123 C 0.5931(4) 0.5726(3) 0.58087(16) 0.0372(8) Uani 1 1 d U
H123 H 0.5883 0.5796 0.5348 0.045 Uiso 1 1 calc R
C124 C 0.6180(4) 0.4747(3) 0.60426(17) 0.0393(8) Uani 1 1 d U
H124 H 0.6301 0.4139 0.5745 0.047 Uiso 1 1 calc R
C125 C 0.6254(4) 0.4645(3) 0.67089(18) 0.0423(9) Uani 1 1 d U
H125 H 0.6421 0.3963 0.6871 0.051 Uiso 1 1 calc R
C126 C 0.6087(4) 0.5531(3) 0.71451(16) 0.0342(8) Uani 1 1 d U
H126 H 0.6144 0.5458 0.7605 0.041 Uiso 1 1 calc R
C211 C 0.6583(3) 1.1693(2) 0.81603(14) 0.0248(7) Uani 1 1 d U
C212 C 0.7437(4) 1.1827(3) 0.87746(16) 0.0423(9) Uani 1 1 d U
H212 H 0.7942 1.1258 0.8893 0.051 Uiso 1 1 calc R
C213 C 0.7565(5) 1.2793(3) 0.92248(19) 0.0574(11) Uani 1 1 d U
H213 H 0.8173 1.2889 0.9644 0.069 Uiso 1 1 calc R
C214 C 0.6814(4) 1.3602(3) 0.90620(18) 0.0456(9) Uani 1 1 d U
H214 H 0.6893 1.4254 0.9372 0.055 Uiso 1 1 calc R
C215 C 0.5951(4) 1.3477(3) 0.84545(18) 0.0382(8) Uani 1 1 d U
H215 H 0.5425 1.4037 0.8344 0.046 Uiso 1 1 calc R
C216 C 0.5848(3) 1.2526(2) 0.80013(16) 0.0303(7) Uani 1 1 d U
H216 H 0.5266 1.2448 0.7576 0.036 Uiso 1 1 calc R
C221 C 0.7350(3) 1.1166(2) 0.69117(14) 0.0221(6) Uani 1 1 d U
C222 C 0.8366(3) 1.2168(3) 0.71038(17) 0.0330(7) Uani 1 1 d U
H222 H 0.8614 1.2476 0.7560 0.040 Uiso 1 1 calc R
C223 C 0.9019(4) 1.2721(3) 0.66328(18) 0.0381(8) Uani 1 1 d U
H223 H 0.9705 1.3408 0.6768 0.046 Uiso 1 1 calc R
C224 C 0.8681(4) 1.2284(3) 0.59793(17) 0.0385(8) Uani 1 1 d U
H224 H 0.9117 1.2678 0.5660 0.046 Uiso 1 1 calc R
C225 C 0.7712(3) 1.1275(3) 0.57769(16) 0.0387(8) Uani 1 1 d U
H225 H 0.7487 1.0970 0.5321 0.046 Uiso 1 1 calc R
C226 C 0.7064(3) 1.0706(3) 0.62478(15) 0.0319(7) Uani 1 1 d U
H226 H 0.6420 0.9996 0.6112 0.038 Uiso 1 1 calc R
C311 C 0.2066(3) 0.6391(2) 0.63758(14) 0.0242(6) Uani 1 1 d U
C312 C 0.1666(3) 0.6404(3) 0.56958(15) 0.0328(7) Uani 1 1 d U
H312 H 0.1401 0.7060 0.5538 0.039 Uiso 1 1 calc R
C313 C 0.1650(4) 0.5478(3) 0.52459(17) 0.0405(8) Uani 1 1 d U
H313 H 0.1379 0.5501 0.4783 0.049 Uiso 1 1 calc R
C314 C 0.2024(4) 0.4528(3) 0.54675(17) 0.0399(8) Uani 1 1 d U
H314 H 0.1988 0.3883 0.5159 0.048 Uiso 1 1 calc R
C315 C 0.2448(4) 0.4506(3) 0.61305(18) 0.0383(8) Uani 1 1 d U
H315 H 0.2724 0.3850 0.6281 0.046 Uiso 1 1 calc R
C316 C 0.2481(3) 0.5435(2) 0.65883(16) 0.0304(7) Uani 1 1 d U
H316 H 0.2788 0.5413 0.7049 0.036 Uiso 1 1 calc R
C321 C 0.1192(3) 0.6989(2) 0.76089(15) 0.0239(6) Uani 1 1 d U
C322 C 0.0199(3) 0.5962(2) 0.74540(17) 0.0329(7) Uani 1 1 d U
H322 H -0.0019 0.5581 0.7013 0.039 Uiso 1 1 calc R
C323 C -0.0468(4) 0.5500(3) 0.79463(19) 0.0416(9) Uani 1 1 d U
H323 H -0.1121 0.4789 0.7843 0.050 Uiso 1 1 calc R
C324 C -0.0199(4) 0.6053(3) 0.85779(18) 0.0413(9) Uani 1 1 d U
H324 H -0.0651 0.5721 0.8912 0.050 Uiso 1 1 calc R
C325 C 0.0731(3) 0.7096(3) 0.87322(17) 0.0386(8) Uani 1 1 d U
H325 H 0.0889 0.7495 0.9167 0.046 Uiso 1 1 calc R
C326 C 0.1431(3) 0.7555(3) 0.82503(15) 0.0302(7) Uani 1 1 d U
H326 H 0.2082 0.8265 0.8359 0.036 Uiso 1 1 calc R
C411 C 0.2584(3) 1.0933(2) 0.62913(14) 0.0224(6) Uani 1 1 d U
C412 C 0.3857(3) 1.1404(2) 0.61000(15) 0.0289(7) Uani 1 1 d U
H412 H 0.4725 1.1464 0.6397 0.035 Uiso 1 1 calc R
C413 C 0.3876(4) 1.1784(3) 0.54852(16) 0.0353(8) Uani 1 1 d U
H413 H 0.4752 1.2098 0.5360 0.042 Uiso 1 1 calc R
C414 C 0.2622(4) 1.1706(3) 0.50529(16) 0.0363(8) Uani 1 1 d U
H414 H 0.2631 1.1943 0.4624 0.044 Uiso 1 1 calc R
C415 C 0.1362(4) 1.1287(3) 0.52464(17) 0.0388(8) Uani 1 1 d U
H415 H 0.0495 1.1261 0.4957 0.047 Uiso 1 1 calc R
C416 C 0.1343(3) 1.0898(3) 0.58616(16) 0.0324(7) Uani 1 1 d U
H416 H 0.0461 1.0605 0.5988 0.039 Uiso 1 1 calc R
C421 C 0.2442(3) 1.1458(2) 0.76825(14) 0.0228(6) Uani 1 1 d U
C422 C 0.2262(3) 1.1228(3) 0.83163(15) 0.0316(7) Uani 1 1 d U
H422 H 0.2315 1.0499 0.8442 0.038 Uiso 1 1 calc R
C423 C 0.2008(4) 1.2048(3) 0.87679(17) 0.0399(8) Uani 1 1 d U
H423 H 0.1884 1.1879 0.9201 0.048 Uiso 1 1 calc R
C424 C 0.1931(4) 1.3110(3) 0.85941(18) 0.0416(9) Uani 1 1 d U
H424 H 0.1744 1.3671 0.8904 0.050 Uiso 1 1 calc R
C425 C 0.2125(4) 1.3349(3) 0.79745(18) 0.0434(9) Uani 1 1 d U
H425 H 0.2087 1.4085 0.7855 0.052 Uiso 1 1 calc R
C426 C 0.2376(4) 1.2534(3) 0.75152(16) 0.0357(8) Uani 1 1 d U
H426 H 0.2504 1.2712 0.7084 0.043 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_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
C1 Ru1 P11 86.01(9) . .
C1 Ru1 P31 100.67(8) . .
P11 Ru1 P31 95.00(3) . .
C1 Ru1 P41 92.13(9) . .
P11 Ru1 P41 177.01(2) . .
P31 Ru1 P41 83.03(3) . .
C1 Ru1 P21 79.98(8) . .
P11 Ru1 P21 83.15(3) . .
P31 Ru1 P21 178.01(3) . .
P41 Ru1 P21 98.84(3) . .
C1 Ru1 Cl1 178.49(9) . .
P11 Ru1 Cl1 95.49(3) . .
P31 Ru1 Cl1 79.41(3) . .
P41 Ru1 Cl1 86.38(3) . .
P21 Ru1 Cl1 99.99(3) . .
F13 P1 F13 180.0 . 2
F13 P1 F11 90.37(15) . .
F13 P1 F11 89.63(15) 2 .
F13 P1 F11 89.63(15) . 2
F13 P1 F11 90.37(15) 2 2
F11 P1 F11 180.00(19) . 2
F13 P1 F12 90.26(12) . .
F13 P1 F12 89.74(12) 2 .
F11 P1 F12 89.70(11) . .
F11 P1 F12 90.30(11) 2 .
F13 P1 F12 89.74(12) . 2
F13 P1 F12 90.26(12) 2 2
F11 P1 F12 90.30(11) . 2
F11 P1 F12 89.70(11) 2 2
F12 P1 F12 180.0(2) . 2
C11 P11 C121 99.00(12) . .
C11 P11 C111 104.21(13) . .
C121 P11 C111 102.38(13) . .
C11 P11 Ru1 106.69(10) . .
C121 P11 Ru1 126.12(10) . .
C111 P11 Ru1 115.44(9) . .
C21 P21 C211 102.76(14) . .
C21 P21 C221 101.18(13) . .
C211 P21 C221 100.24(12) . .
C21 P21 Ru1 106.13(9) . .
C211 P21 Ru1 119.51(9) . .
C221 P21 Ru1 123.86(10) . .
C311 P31 C31 103.67(14) . .
C311 P31 C321 102.71(13) . .
C31 P31 C321 99.78(13) . .
C311 P31 Ru1 119.16(9) . .
C31 P31 Ru1 106.21(9) . .
C321 P31 Ru1 122.25(10) . .
C421 P41 C411 104.19(13) . .
C421 P41 C41 98.10(12) . .
C411 P41 C41 102.96(13) . .
C421 P41 Ru1 126.06(10) . .
C411 P41 Ru1 115.63(9) . .
C41 P41 Ru1 106.25(10) . .
C2 C1 Ru1 174.4(2) . .
C1 C2 C3 178.3(3) . .
C2 C3 C4 134.2(3) . .
C2 C3 C4 134.1(3) . 2_677
C4 C3 C4 91.7(3) . 2_677
C2 C3 C3 179.7(3) . 2_677
C4 C3 C3 45.89(18) . 2_677
C4 C3 C3 45.80(19) 2_677 2_677
C3 C4 C3 88.3(3) . 2_677
C21 C11 P11 109.48(18) . .
C11 C21 P21 108.8(2) . .
C41 C31 P31 107.4(2) . .
C31 C41 P41 109.54(18) . .
C116 C111 C112 118.7(3) . .
C116 C111 P11 123.2(2) . .
C112 C111 P11 118.1(2) . .
C113 C112 C111 120.5(3) . .
C114 C113 C112 120.3(3) . .
C113 C114 C115 119.8(3) . .
C114 C115 C116 120.0(3) . .
C111 C116 C115 120.7(3) . .
C122 C121 C126 118.8(3) . .
C122 C121 P11 118.8(2) . .
C126 C121 P11 122.2(2) . .
C123 C122 C121 120.4(3) . .
C124 C123 C122 120.5(3) . .
C123 C124 C125 119.9(3) . .
C124 C125 C126 120.2(3) . .
C125 C126 C121 120.1(3) . .
C212 C211 C216 118.9(3) . .
C212 C211 P21 122.2(2) . .
C216 C211 P21 119.0(2) . .
C211 C212 C213 120.3(3) . .
C214 C213 C212 120.0(4) . .
C213 C214 C215 120.4(3) . .
C214 C215 C216 119.6(3) . .
C211 C216 C215 120.9(3) . .
C226 C221 C222 118.5(3) . .
C226 C221 P21 121.3(2) . .
C222 C221 P21 120.2(2) . .
C223 C222 C221 120.4(3) . .
C224 C223 C222 120.4(3) . .
C223 C224 C225 120.6(3) . .
C224 C225 C226 119.5(3) . .
C221 C226 C225 120.6(3) . .
C316 C311 C312 118.1(3) . .
C316 C311 P31 120.7(2) . .
C312 C311 P31 121.2(2) . .
C313 C312 C311 121.0(3) . .
C314 C313 C312 120.0(3) . .
C315 C314 C313 120.0(3) . .
C314 C315 C316 120.7(3) . .
C311 C316 C315 120.2(3) . .
C326 C321 C322 118.7(3) . .
C326 C321 P31 120.0(2) . .
C322 C321 P31 121.3(2) . .
C323 C322 C321 119.8(3) . .
C324 C323 C322 120.8(3) . .
C323 C324 C325 120.2(3) . .
C324 C325 C326 119.7(3) . .
C325 C326 C321 120.8(3) . .
C416 C411 C412 118.1(3) . .
C416 C411 P41 122.9(2) . .
C412 C411 P41 118.9(2) . .
C413 C412 C411 121.0(3) . .
C414 C413 C412 119.9(3) . .
C415 C414 C413 119.6(3) . .
C414 C415 C416 120.5(3) . .
C411 C416 C415 120.8(3) . .
C422 C421 C426 118.4(3) . .
C422 C421 P41 119.2(2) . .
C426 C421 P41 122.2(2) . .
C423 C422 C421 120.6(3) . .
C424 C423 C422 120.4(3) . .
C425 C424 C423 119.4(3) . .
C424 C425 C426 120.8(3) . .
C425 C426 C421 120.3(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 1.933(3) .
Ru1 P11 2.3789(8) .
Ru1 P31 2.3940(8) .
Ru1 P41 2.3978(8) .
Ru1 P21 2.4064(8) .
Ru1 Cl1 2.4948(7) .
P1 F13 1.580(2) .
P1 F13 1.580(2) 2
P1 F11 1.583(2) .
P1 F11 1.583(2) 2
P1 F12 1.604(2) .
P1 F12 1.604(2) 2
P11 C11 1.834(3) .
P11 C121 1.834(3) .
P11 C111 1.841(3) .
P21 C21 1.834(3) .
P21 C211 1.842(3) .
P21 C221 1.846(3) .
P31 C311 1.830(3) .
P31 C31 1.839(3) .
P31 C321 1.843(3) .
P41 C421 1.834(3) .
P41 C411 1.837(3) .
P41 C41 1.844(3) .
C1 C2 1.225(4) .
C2 C3 1.372(4) .
C3 C4 1.457(5) .
C3 C4 1.459(5) 2_677
C3 C3 2.031(5) 2_677
C4 C3 1.459(5) 2_677
C11 C21 1.515(4) .
C31 C41 1.520(4) .
C111 C116 1.378(4) .
C111 C112 1.392(4) .
C112 C113 1.387(4) .
C113 C114 1.375(5) .
C114 C115 1.378(4) .
C115 C116 1.396(4) .
C121 C122 1.387(4) .
C121 C126 1.390(4) .
C122 C123 1.378(4) .
C123 C124 1.369(5) .
C124 C125 1.375(5) .
C125 C126 1.385(4) .
C211 C212 1.377(5) .
C211 C216 1.382(4) .
C212 C213 1.395(5) .
C213 C214 1.370(6) .
C214 C215 1.370(5) .
C215 C216 1.389(4) .
C221 C226 1.388(4) .
C221 C222 1.391(4) .
C222 C223 1.389(4) .
C223 C224 1.360(5) .
C224 C225 1.377(5) .
C225 C226 1.396(4) .
C311 C316 1.384(4) .
C311 C312 1.391(4) .
C312 C313 1.382(4) .
C313 C314 1.368(5) .
C314 C315 1.362(5) .
C315 C316 1.389(4) .
C321 C326 1.390(4) .
C321 C322 1.397(4) .
C322 C323 1.386(4) .
C323 C324 1.365(5) .
C324 C325 1.382(5) .
C325 C326 1.383(4) .
C411 C416 1.376(4) .
C411 C412 1.394(4) .
C412 C413 1.382(4) .
C413 C414 1.379(5) .
C414 C415 1.371(5) .
C415 C416 1.387(4) .
C421 C422 1.383(4) .
C421 C426 1.387(4) .
C422 C423 1.381(4) .
C423 C424 1.378(5) .
C424 C425 1.361(5) .
C425 C426 1.386(5) .
