#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:29:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179380 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/77/4327725.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_4327725
loop_
_publ_author_name
'Hiroyuki Nitadori'
'Takeshi Takahashi'
'Akiko Inagaki'
'Munetaka Akita'
_publ_section_title
;
 Enhanced Photocatalytic Activity of α-Methylstyrene Oligomerization
 through Effective Metal-to-Ligand Charge-Transfer Localization on the
 Bridging Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              51
_journal_page_last               62
_journal_paper_doi               10.1021/ic200291t
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C33 H30 Br2 Cl2 F12 N8 P2 Ru'
_chemical_formula_weight         1160.38
_chemical_name_systematic
; 
 ? 
;
_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                106.397(11)
_cell_angle_beta                 101.67(3)
_cell_angle_gamma                96.52(3)
_cell_formula_units_Z            2
_cell_length_a                   10.912(3)
_cell_length_b                   14.096(8)
_cell_length_c                   14.207(8)
_cell_measurement_temperature    213(2)
_cell_volume                     2018.9(17)
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode x-ray generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1581
_diffrn_reflns_av_sigmaI/netI    0.3034
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15577
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    2.674
_exptl_absorpt_correction_T_max  0.7758
_exptl_absorpt_correction_T_min  0.7758
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.182
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       0.0028(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.838
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         8293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.2469
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0726P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                2509
_reflns_number_total             8293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200291t_si_003.cif
_cod_data_source_block           string
_cod_original_cell_volume        2018.8(17)
_cod_database_code               4327725
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 0.73876(9) 0.69235(8) 0.27747(8) 0.0436(3) Uani 1 1 d .
Br1 Br 0.99414(12) 0.37142(11) 0.07331(12) 0.0692(5) Uani 1 1 d .
Br2 Br 0.31524(14) 0.84543(12) 0.07382(12) 0.0779(6) Uani 1 1 d .
N1 N 0.8563(9) 0.8167(7) 0.2760(8) 0.050(3) Uani 1 1 d .
N2 N 0.6916(8) 0.8022(7) 0.3852(7) 0.044(3) Uani 1 1 d .
N3 N 0.8645(10) 0.6715(8) 0.3982(8) 0.052(3) Uani 1 1 d .
N4 N 0.6342(8) 0.5750(7) 0.3010(7) 0.044(3) Uani 1 1 d .
N5 N 0.7780(9) 0.5885(8) 0.1578(7) 0.049(3) Uani 1 1 d .
N6 N 0.6082(7) 0.7023(7) 0.1589(7) 0.042(3) Uani 1 1 d .
N7 N 0.7036(10) 0.5055(8) -0.0192(8) 0.063(3) Uani 1 1 d .
N8 N 0.5315(9) 0.6352(8) -0.0226(8) 0.058(3) Uani 1 1 d .
C1 C 0.9296(11) 0.8167(11) 0.2137(11) 0.060(4) Uani 1 1 d .
H1 H 0.9303 0.7558 0.1651 0.071 Uiso 1 1 calc R
C2 C 1.0075(12) 0.9048(11) 0.2169(10) 0.061(4) Uani 1 1 d .
H2 H 1.0630 0.9007 0.1738 0.074 Uiso 1 1 calc R
C3 C 1.0037(11) 0.9982(10) 0.2830(11) 0.055(4) Uani 1 1 d .
C4 C 0.9229(11) 0.9949(10) 0.3464(10) 0.056(4) Uani 1 1 d .
H4 H 0.9176 1.0553 0.3938 0.067 Uiso 1 1 calc R
C5 C 0.8500(11) 0.9067(9) 0.3428(10) 0.051(3) Uani 1 1 d .
C6 C 0.7644(12) 0.8978(10) 0.4085(9) 0.050(3) Uani 1 1 d .
C7 C 0.7473(13) 0.9777(9) 0.4862(10) 0.061(4) Uani 1 1 d .
H7 H 0.7933 1.0425 0.4993 0.073 Uiso 1 1 calc R
C8 C 0.6639(13) 0.9632(10) 0.5442(11) 0.064(4) Uani 1 1 d .
C9 C 0.5918(11) 0.8647(9) 0.5193(10) 0.055(4) Uani 1 1 d .
H9 H 0.5331 0.8512 0.5561 0.066 Uiso 1 1 calc R
C10 C 0.6103(12) 0.7900(10) 0.4399(9) 0.054(4) Uani 1 1 d .
H10 H 0.5616 0.7255 0.4235 0.065 Uiso 1 1 calc R
C11 C 1.0801(13) 1.0954(10) 0.2865(12) 0.085(5) Uani 1 1 d .
H11A H 1.0638 1.1504 0.3386 0.102 Uiso 1 1 calc R
H11B H 1.0557 1.1064 0.2215 0.102 Uiso 1 1 calc R
H11C H 1.1699 1.0920 0.3018 0.102 Uiso 1 1 calc R
C12 C 0.6510(12) 1.0497(10) 0.6350(10) 0.073(5) Uani 1 1 d .
H12A H 0.5894 1.0248 0.6670 0.087 Uiso 1 1 calc R
H12B H 0.6226 1.1035 0.6113 0.087 Uiso 1 1 calc R
H12C H 0.7328 1.0749 0.6837 0.087 Uiso 1 1 calc R
C13 C 0.9813(11) 0.7266(9) 0.4474(10) 0.051(3) Uani 1 1 d .
H13 H 1.0179 0.7725 0.4196 0.061 Uiso 1 1 calc R
C14 C 1.0492(12) 0.7180(10) 0.5374(10) 0.058(4) Uani 1 1 d .
H14 H 1.1292 0.7591 0.5703 0.070 Uiso 1 1 calc R
C15 C 1.0014(12) 0.6514(10) 0.5779(11) 0.057(4) Uani 1 1 d .
C16 C 0.8839(13) 0.5942(9) 0.5280(9) 0.059(4) Uani 1 1 d .
H16 H 0.8485 0.5466 0.5545 0.071 Uiso 1 1 calc R
C17 C 0.8141(11) 0.6054(9) 0.4369(10) 0.046(3) Uani 1 1 d .
C18 C 0.6840(11) 0.5435(10) 0.3811(10) 0.052(3) Uani 1 1 d .
C19 C 0.6249(12) 0.4679(10) 0.4039(10) 0.057(4) Uani 1 1 d .
H19 H 0.6635 0.4510 0.4609 0.068 Uiso 1 1 calc R
C20 C 0.5070(14) 0.4140(10) 0.3442(12) 0.063(4) Uani 1 1 d .
C21 C 0.4587(13) 0.4416(11) 0.2602(11) 0.064(4) Uani 1 1 d .
H21 H 0.3805 0.4061 0.2158 0.076 Uiso 1 1 calc R
C22 C 0.5222(12) 0.5186(10) 0.2415(10) 0.055(4) Uani 1 1 d .
H22 H 0.4864 0.5344 0.1830 0.066 Uiso 1 1 calc R
C23 C 1.0709(12) 0.6440(11) 0.6781(10) 0.077(5) Uani 1 1 d .
H23A H 1.0225 0.5915 0.6946 0.092 Uiso 1 1 calc R
H23B H 1.0808 0.7077 0.7305 0.092 Uiso 1 1 calc R
H23C H 1.1541 0.6279 0.6735 0.092 Uiso 1 1 calc R
C24 C 0.4332(14) 0.3272(11) 0.3680(11) 0.083(5) Uani 1 1 d .
H24A H 0.4818 0.3183 0.4292 0.099 Uiso 1 1 calc R
H24B H 0.4198 0.2656 0.3121 0.099 Uiso 1 1 calc R
H24C H 0.3515 0.3430 0.3779 0.099 Uiso 1 1 calc R
C25 C 0.8681(12) 0.5277(9) 0.1599(10) 0.053(3) Uani 1 1 d .
H25 H 0.9267 0.5362 0.2213 0.064 Uiso 1 1 calc R
C26 C 0.8742(11) 0.4545(9) 0.0735(9) 0.048(3) Uani 1 1 d .
C27 C 0.7917(12) 0.4455(10) -0.0160(10) 0.063(4) Uani 1 1 d .
H27 H 0.7962 0.3974 -0.0758 0.076 Uiso 1 1 calc R
C28 C 0.7018(11) 0.5758(9) 0.0658(10) 0.052(3) Uani 1 1 d .
C29 C 0.6056(11) 0.6424(9) 0.0662(10) 0.048(3) Uani 1 1 d .
C30 C 0.5234(10) 0.7645(9) 0.1599(9) 0.048(3) Uani 1 1 d .
H30 H 0.5206 0.8089 0.2224 0.058 Uiso 1 1 calc R
C31 C 0.4405(11) 0.7660(8) 0.0734(10) 0.049(3) Uani 1 1 d .
C32 C 0.4487(12) 0.7000(10) -0.0194(11) 0.061(4) Uani 1 1 d .
H32 H 0.3958 0.7010 -0.0801 0.073 Uiso 1 1 calc R
P1 P 0.3839(4) 0.8959(4) -0.2284(4) 0.0811(14) Uani 1 1 d .
F1 F 0.5294(7) 0.9037(6) -0.2363(7) 0.096(3) Uiso 1 1 d .
F2 F 0.2386(8) 0.8863(7) -0.2230(7) 0.108(3) Uiso 1 1 d .
F3 F 0.384(3) 1.001(3) -0.253(3) 0.166(15) Uiso 0.50 1 d P
F3A F 0.3898(17) 1.0124(16) -0.2101(18) 0.074(6) Uiso 0.50 1 d P
F4 F 0.4328(18) 0.9552(17) -0.1113(17) 0.093(7) Uiso 0.50 1 d P
F4A F 0.4235(18) 0.9051(17) -0.1108(17) 0.098(7) Uiso 0.50 1 d P
F5 F 0.390(2) 0.7841(19) -0.211(2) 0.104(9) Uiso 0.50 1 d P
F5A F 0.367(2) 0.7765(18) -0.256(2) 0.100(8) Uiso 0.50 1 d P
F6 F 0.347(2) 0.840(2) -0.348(2) 0.123(10) Uiso 0.50 1 d P
F6A F 0.3348(18) 0.8823(17) -0.3488(17) 0.089(7) Uiso 0.50 1 d P
P2 P 0.7597(3) 0.3544(3) 0.6786(3) 0.0593(11) Uani 1 1 d .
F7 F 0.8642(7) 0.4112(5) 0.6396(6) 0.077(2) Uani 1 1 d .
F8 F 0.6571(6) 0.2987(6) 0.7193(6) 0.077(2) Uani 1 1 d .
F9 F 0.7697(7) 0.4550(6) 0.7674(6) 0.082(3) Uani 1 1 d .
F10 F 0.8695(7) 0.3232(6) 0.7488(7) 0.092(3) Uani 1 1 d .
F11 F 0.7504(7) 0.2538(5) 0.5897(6) 0.081(3) Uani 1 1 d .
F12 F 0.6503(7) 0.3856(6) 0.6081(6) 0.082(2) Uani 1 1 d .
C33 C 0.2688(17) 0.0811(16) 0.0066(16) 0.129(7) Uiso 1 1 d .
Cl1 Cl 0.2209(11) 0.1968(9) 0.0532(10) 0.321(4) Uiso 1 1 d .
Cl2 Cl 0.1152(10) 0.0029(9) 0.0051(10) 0.321(4) Uiso 1 1 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'
Br Br -0.2901 2.4595 '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'
F F 0.0171 0.0103 '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_3
N6 Ru1 N2 96.0(4) .
N6 Ru1 N4 97.1(4) .
N2 Ru1 N4 95.5(4) .
N6 Ru1 N1 90.3(4) .
N2 Ru1 N1 79.7(4) .
N4 Ru1 N1 171.7(4) .
N6 Ru1 N5 78.5(4) .
N2 Ru1 N5 174.0(4) .
N4 Ru1 N5 87.5(4) .
N1 Ru1 N5 97.8(4) .
N6 Ru1 N3 175.5(4) .
N2 Ru1 N3 85.5(4) .
N4 Ru1 N3 78.5(4) .
N1 Ru1 N3 94.2(4) .
N5 Ru1 N3 100.3(4) .
C1 N1 C5 118.6(12) .
C1 N1 Ru1 125.4(9) .
C5 N1 Ru1 115.9(8) .
C10 N2 C6 118.3(10) .
C10 N2 Ru1 126.9(8) .
C6 N2 Ru1 114.5(8) .
C17 N3 C13 118.5(12) .
C17 N3 Ru1 114.0(8) .
C13 N3 Ru1 126.8(10) .
C22 N4 C18 114.4(11) .
C22 N4 Ru1 127.0(10) .
C18 N4 Ru1 118.5(8) .
C28 N5 C25 115.9(10) .
C28 N5 Ru1 115.5(8) .
C25 N5 Ru1 128.5(8) .
C29 N6 C30 114.0(10) .
C29 N6 Ru1 117.8(7) .
C30 N6 Ru1 128.1(8) .
C28 N7 C27 118.8(12) .
C29 N8 C32 115.0(11) .
N1 C1 C2 122.3(13) .
C3 C2 C1 121.1(12) .
C4 C3 C2 114.6(12) .
C4 C3 C11 121.9(12) .
C2 C3 C11 123.6(12) .
C5 C4 C3 122.7(13) .
N1 C5 C4 120.6(12) .
N1 C5 C6 114.0(11) .
C4 C5 C6 125.4(12) .
C7 C6 N2 119.8(12) .
C7 C6 C5 124.8(13) .
N2 C6 C5 115.4(10) .
C8 C7 C6 121.2(13) .
C7 C8 C9 117.7(12) .
C7 C8 C12 121.5(13) .
C9 C8 C12 120.8(13) .
C10 C9 C8 118.3(12) .
N2 C10 C9 124.7(12) .
N3 C13 C14 122.4(13) .
C15 C14 C13 120.4(13) .
C14 C15 C16 117.6(14) .
C14 C15 C23 121.3(13) .
C16 C15 C23 121.0(14) .
C15 C16 C17 121.4(14) .
N3 C17 C16 119.6(12) .
N3 C17 C18 118.2(12) .
C16 C17 C18 122.2(13) .
C19 C18 N4 123.9(12) .
C19 C18 C17 126.0(13) .
N4 C18 C17 110.1(12) .
C18 C19 C20 120.6(14) .
C21 C20 C19 116.1(14) .
C21 C20 C24 121.1(14) .
C19 C20 C24 122.8(15) .
C22 C21 C20 120.6(14) .
C21 C22 N4 124.3(14) .
N5 C25 C26 121.4(12) .
C27 C26 C25 118.7(12) .
C27 C26 Br1 118.6(9) .
C25 C26 Br1 122.7(10) .
N7 C27 C26 120.4(12) .
N7 C28 N5 124.6(12) .
N7 C28 C29 120.7(12) .
N5 C28 C29 114.6(11) .
N8 C29 N6 129.6(11) .
N8 C29 C28 116.9(11) .
N6 C29 C28 113.6(11) .
N6 C30 C31 123.0(11) .
C30 C31 C32 117.3(12) .
C30 C31 Br2 123.7(9) .
C32 C31 Br2 119.0(10) .
N8 C32 C31 121.1(13) .
F3A P1 F4 70.1(11) .
F3A P1 F6 108.3(14) .
F4 P1 F6 174.8(12) .
F3A P1 F5A 174.4(13) .
F4 P1 F5A 114.7(14) .
F6 P1 F5A 67.2(12) .
F3A P1 F2 88.8(8) .
F4 P1 F2 92.3(8) .
F6 P1 F2 92.6(10) .
F5A P1 F2 88.1(9) .
F3A P1 F4A 95.3(12) .
F4 P1 F4A 25.6(10) .
F6 P1 F4A 156.4(14) .
F5A P1 F4A 89.3(13) .
F2 P1 F4A 89.0(8) .
F3A P1 F1 91.8(8) .
F4 P1 F1 88.9(8) .
F6 P1 F1 86.2(9) .
F5A P1 F1 91.2(9) .
F2 P1 F1 178.8(6) .
F4A P1 F1 92.0(8) .
F3A P1 F3 20.7(15) .
F4 P1 F3 90.3(15) .
F6 P1 F3 87.7(16) .
F5A P1 F3 155.0(16) .
F2 P1 F3 92.5(12) .
F4A P1 F3 115.8(15) .
F1 P1 F3 87.7(12) .
F3A P1 F6A 86.4(12) .
F4 P1 F6A 156.4(12) .
F6 P1 F6A 22.3(12) .
F5A P1 F6A 88.9(13) .
F2 P1 F6A 87.8(8) .
F4A P1 F6A 176.3(11) .
F1 P1 F6A 91.2(8) .
F3 P1 F6A 66.2(13) .
F3A P1 F5 163.3(13) .
F4 P1 F5 93.3(12) .
F6 P1 F5 88.4(14) .
F5A P1 F5 21.5(12) .
F2 P1 F5 90.9(9) .
F4A P1 F5 68.0(12) .
F1 P1 F5 88.8(8) .
F3 P1 F5 175.0(15) .
F6A P1 F5 110.3(12) .
F3A F3 P1 76(5) .
F3A F3 F6A 131(6) .
P1 F3 F6A 57.3(14) .
F3 F3A P1 84(5) .
F4A F4 P1 79(3) .
F4 F4A P1 76(3) .
F5A F5 P1 73(4) .
F5 F5A P1 86(4) .
F5 F5A F6 141(5) .
P1 F5A F6 56.4(12) .
F6A F6 P1 82(4) .
F6A F6 F5A 136(5) .
P1 F6 F5A 56.4(13) .
F6 F6A P1 75(4) .
F6 F6A F3 130(5) .
P1 F6A F3 56.6(14) .
F12 P2 F10 179.7(5) .
F12 P2 F9 90.3(4) .
F10 P2 F9 89.9(5) .
F12 P2 F11 89.8(5) .
F10 P2 F11 90.0(5) .
F9 P2 F11 179.7(5) .
F12 P2 F8 90.5(4) .
F10 P2 F8 89.8(5) .
F9 P2 F8 89.9(4) .
F11 P2 F8 90.3(4) .
F12 P2 F7 90.2(5) .
F10 P2 F7 89.6(4) .
F9 P2 F7 89.4(4) .
F11 P2 F7 90.3(4) .
F8 P2 F7 179.1(5) .
Cl1 C33 Cl2 94.3(10) .
C33 Cl2 Cl2 145.6(11) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N6 2.023(9) .
Ru1 N2 2.042(9) .
Ru1 N4 2.046(10) .
Ru1 N1 2.059(11) .
Ru1 N5 2.061(9) .
Ru1 N3 2.082(11) .
Br1 C26 1.852(11) .
Br2 C31 1.862(11) .
N1 C1 1.308(15) .
N1 C5 1.372(13) .
N2 C10 1.319(14) .
N2 C6 1.399(14) .
N3 C17 1.330(15) .
N3 C13 1.351(13) .
N4 C22 1.350(14) .
N4 C18 1.370(15) .
N5 C28 1.351(14) .
N5 C25 1.377(14) .
N6 C29 1.342(13) .
N6 C30 1.345(13) .
N7 C28 1.334(14) .
N7 C27 1.353(14) .
N8 C29 1.323(14) .
N8 C32 1.355(14) .
C1 C2 1.406(17) .
C2 C3 1.395(16) .
C3 C4 1.388(16) .
C3 C11 1.502(16) .
C4 C5 1.381(15) .
C5 C6 1.466(16) .
C6 C7 1.397(15) .
C7 C8 1.380(17) .
C8 C9 1.425(16) .
C8 C12 1.548(16) .
C9 C10 1.375(15) .
C13 C14 1.387(17) .
C14 C15 1.341(18) .
C15 C16 1.368(16) .
C15 C23 1.509(18) .
C16 C17 1.422(16) .
C17 C18 1.509(16) .
C18 C19 1.335(16) .
C19 C20 1.387(17) .
C20 C21 1.382(19) .
C20 C24 1.543(17) .
C21 C22 1.341(17) .
C25 C26 1.382(15) .
C26 C27 1.366(16) .
C28 C29 1.485(16) .
C30 C31 1.377(16) .
C31 C32 1.410(16) .
P1 F3A 1.58(2) .
P1 F4 1.58(2) .
P1 F6 1.59(3) .
P1 F5A 1.60(2) .
P1 F2 1.595(9) .
P1 F4A 1.60(2) .
P1 F1 1.608(8) .
P1 F3 1.62(4) .
P1 F6A 1.63(2) .
P1 F5 1.67(3) .
F3 F3A 0.58(4) .
F3 F6A 1.78(4) .
F4 F4A 0.70(3) .
F5 F5A 0.61(3) .
F5A F6 1.77(3) .
F6 F6A 0.63(3) .
P2 F12 1.583(8) .
P2 F10 1.584(8) .
P2 F9 1.585(8) .
P2 F11 1.588(8) .
P2 F8 1.589(8) .
P2 F7 1.596(8) .
C33 Cl1 1.76(2) .
C33 Cl2 1.89(2) .
Cl2 Cl2 2.48(2) 2
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_site_symmetry_4
N6 Ru1 N1 C1 -79.4(11) .
N2 Ru1 N1 C1 -175.4(11) .
N4 Ru1 N1 C1 129(2) .
N5 Ru1 N1 C1 -1.0(11) .
N3 Ru1 N1 C1 100.0(11) .
N6 Ru1 N1 C5 96.8(9) .
N2 Ru1 N1 C5 0.8(9) .
N4 Ru1 N1 C5 -55(3) .
N5 Ru1 N1 C5 175.2(9) .
N3 Ru1 N1 C5 -83.8(9) .
N6 Ru1 N2 C10 92.9(10) .
N4 Ru1 N2 C10 -4.8(11) .
N1 Ru1 N2 C10 -177.9(11) .
N5 Ru1 N2 C10 116(4) .
N3 Ru1 N2 C10 -82.8(11) .
N6 Ru1 N2 C6 -94.0(8) .
N4 Ru1 N2 C6 168.3(8) .
N1 Ru1 N2 C6 -4.8(8) .
N5 Ru1 N2 C6 -71(4) .
N3 Ru1 N2 C6 90.3(8) .
N6 Ru1 N3 C17 -19(5) .
N2 Ru1 N3 C17 89.4(8) .
N4 Ru1 N3 C17 -7.2(8) .
N1 Ru1 N3 C17 168.7(8) .
N5 Ru1 N3 C17 -92.5(8) .
N6 Ru1 N3 C13 170(4) .
N2 Ru1 N3 C13 -81.0(9) .
N4 Ru1 N3 C13 -177.6(9) .
N1 Ru1 N3 C13 -1.7(9) .
N5 Ru1 N3 C13 97.1(9) .
N6 Ru1 N4 C22 8.2(9) .
N2 Ru1 N4 C22 104.9(9) .
N1 Ru1 N4 C22 160(2) .
N5 Ru1 N4 C22 -69.9(9) .
N3 Ru1 N4 C22 -170.9(9) .
N6 Ru1 N4 C18 -176.6(8) .
N2 Ru1 N4 C18 -79.9(9) .
N1 Ru1 N4 C18 -25(3) .
N5 Ru1 N4 C18 105.3(8) .
N3 Ru1 N4 C18 4.3(8) .
N6 Ru1 N5 C28 -1.7(9) .
N2 Ru1 N5 C28 -25(4) .
N4 Ru1 N5 C28 96.0(9) .
N1 Ru1 N5 C28 -90.3(9) .
N3 Ru1 N5 C28 173.9(9) .
N6 Ru1 N5 C25 -178.9(10) .
N2 Ru1 N5 C25 158(3) .
N4 Ru1 N5 C25 -81.1(10) .
N1 Ru1 N5 C25 92.5(10) .
N3 Ru1 N5 C25 -3.3(11) .
N2 Ru1 N6 C29 178.3(9) .
N4 Ru1 N6 C29 -85.4(9) .
N1 Ru1 N6 C29 98.6(9) .
N5 Ru1 N6 C29 0.6(9) .
N3 Ru1 N6 C29 -74(5) .
N2 Ru1 N6 C30 0.4(10) .
N4 Ru1 N6 C30 96.8(10) .
N1 Ru1 N6 C30 -79.3(10) .
N5 Ru1 N6 C30 -177.2(10) .
N3 Ru1 N6 C30 109(5) .
C5 N1 C1 C2 4(2) .
Ru1 N1 C1 C2 179.9(9) .
N1 C1 C2 C3 -4(2) .
C1 C2 C3 C4 3(2) .
C1 C2 C3 C11 -177.1(13) .
C2 C3 C4 C5 -1(2) .
C11 C3 C4 C5 178.6(13) .
C1 N1 C5 C4 -2.1(19) .
Ru1 N1 C5 C4 -178.6(10) .
C1 N1 C5 C6 179.6(11) .
Ru1 N1 C5 C6 3.1(14) .
C3 C4 C5 N1 1(2) .
C3 C4 C5 C6 179.1(12) .
C10 N2 C6 C7 -1.7(17) .
Ru1 N2 C6 C7 -175.4(9) .
C10 N2 C6 C5 -178.3(11) .
Ru1 N2 C6 C5 8.0(13) .
N1 C5 C6 C7 176.3(12) .
C4 C5 C6 C7 -2(2) .
N1 C5 C6 N2 -7.3(16) .
C4 C5 C6 N2 174.6(12) .
N2 C6 C7 C8 3(2) .
C5 C6 C7 C8 179.5(12) .
C6 C7 C8 C9 -3(2) .
C6 C7 C8 C12 175.9(12) .
C7 C8 C9 C10 1(2) .
C12 C8 C9 C10 -177.8(12) .
C6 N2 C10 C9 -0.3(19) .
Ru1 N2 C10 C9 172.5(10) .
C8 C9 C10 N2 1(2) .
C17 N3 C13 C14 -1.2(17) .
Ru1 N3 C13 C14 168.8(9) .
N3 C13 C14 C15 1.8(19) .
C13 C14 C15 C16 -0.9(19) .
C13 C14 C15 C23 -177.2(12) .
C14 C15 C16 C17 -0.5(19) .
C23 C15 C16 C17 175.9(11) .
C13 N3 C17 C16 -0.2(16) .
Ru1 N3 C17 C16 -171.4(8) .
C13 N3 C17 C18 -179.6(9) .
Ru1 N3 C17 C18 9.2(13) .
C15 C16 C17 N3 1.0(18) .
C15 C16 C17 C18 -179.6(11) .
C22 N4 C18 C19 -4.2(18) .
Ru1 N4 C18 C19 -180.0(9) .
C22 N4 C18 C17 174.8(9) .
Ru1 N4 C18 C17 -0.9(12) .
N3 C17 C18 C19 173.4(12) .
C16 C17 C18 C19 -6.0(19) .
N3 C17 C18 N4 -5.6(15) .
C16 C17 C18 N4 175.0(10) .
N4 C18 C19 C20 1(2) .
C17 C18 C19 C20 -177.4(11) .
C18 C19 C20 C21 1.9(19) .
C18 C19 C20 C24 -178.8(12) .
C19 C20 C21 C22 -2.2(19) .
C24 C20 C21 C22 178.5(11) .
C20 C21 C22 N4 -1(2) .
C18 N4 C22 C21 3.8(17) .
Ru1 N4 C22 C21 179.2(9) .
C28 N5 C25 C26 -3.7(17) .
Ru1 N5 C25 C26 173.5(9) .
N5 C25 C26 C27 2.6(19) .
N5 C25 C26 Br1 179.9(9) .
C28 N7 C27 C26 2(2) .
C25 C26 C27 N7 -2(2) .
Br1 C26 C27 N7 -179.3(10) .
C27 N7 C28 N5 -4(2) .
C27 N7 C28 C29 -179.1(11) .
C25 N5 C28 N7 4.5(18) .
Ru1 N5 C28 N7 -173.0(10) .
C25 N5 C28 C29 179.9(10) .
Ru1 N5 C28 C29 2.4(14) .
C32 N8 C29 N6 2(2) .
C32 N8 C29 C28 -177.4(11) .
C30 N6 C29 N8 -1.0(19) .
Ru1 N6 C29 N8 -179.2(11) .
C30 N6 C29 C28 178.6(10) .
Ru1 N6 C29 C28 0.4(14) .
N7 C28 C29 N8 -6.6(18) .
N5 C28 C29 N8 177.8(11) .
N7 C28 C29 N6 173.8(12) .
N5 C28 C29 N6 -1.8(16) .
C29 N6 C30 C31 0.5(17) .
Ru1 N6 C30 C31 178.5(9) .
N6 C30 C31 C32 -1.3(19) .
N6 C30 C31 Br2 175.8(9) .
C29 N8 C32 C31 -2.8(18) .
C30 C31 C32 N8 2.5(19) .
Br2 C31 C32 N8 -174.7(9) .
F4 P1 F3 F3A -12(4) .
F6 P1 F3 F3A 173(4) .
F5A P1 F3 F3A 171(3) .
F2 P1 F3 F3A 80(4) .
F4A P1 F3 F3A -10(5) .
F1 P1 F3 F3A -101(4) .
F6A P1 F3 F3A 167(5) .
F5 P1 F3 F3A -148(14) .
F3A P1 F3 F6A -167(5) .
F4 P1 F3 F6A -178.8(11) .
F6 P1 F3 F6A 6.0(15) .
F5A P1 F3 F6A 4(4) .
F2 P1 F3 F6A -86.5(10) .
F4A P1 F3 F6A -176.5(11) .
F1 P1 F3 F6A 92.3(10) .
F5 P1 F3 F6A 46(17) .
F6A F3 F3A P1 15(5) .
F4 P1 F3A F3 167(5) .
F6 P1 F3A F3 -8(5) .
F5A P1 F3A F3 -44(14) .
F2 P1 F3A F3 -100(4) .
F4A P1 F3A F3 171(4) .
F1 P1 F3A F3 79(4) .
F6A P1 F3A F3 -12(4) .
F5 P1 F3A F3 171(4) .
F3A P1 F4 F4A 171(3) .
F6 P1 F4 F4A -117(15) .
F5A P1 F4 F4A -6(3) .
F2 P1 F4 F4A 83(3) .
F1 P1 F4 F4A -97(3) .
F3 P1 F4 F4A 175(3) .
F6A P1 F4 F4A 173(2) .
F5 P1 F4 F4A -8(3) .
F3A P1 F4A F4 -9(3) .
F6 P1 F4A F4 168(3) .
F5A P1 F4A F4 174(3) .
F2 P1 F4A F4 -97(3) .
F1 P1 F4A F4 83(3) .
F3 P1 F4A F4 -5(3) .
F6A P1 F4A F4 -126(18) .
F5 P1 F4A F4 171(3) .
F3A P1 F5 F5A 171(3) .
F4 P1 F5 F5A 175(4) .
F6 P1 F5 F5A -10(4) .
F2 P1 F5 F5A 82(4) .
F4A P1 F5 F5A 171(4) .
F1 P1 F5 F5A -96(4) .
F3 P1 F5 F5A -50(18) .
F6A P1 F5 F5A -6(4) .
P1 F5 F5A F6 15(5) .
F3A P1 F5A F5 -154(11) .
F4 P1 F5A F5 -6(4) .
F6 P1 F5A F5 169(4) .
F2 P1 F5A F5 -97(4) .
F4A P1 F5A F5 -8(4) .
F1 P1 F5A F5 84(4) .
F3 P1 F5A F5 171(4) .
F6A P1 F5A F5 175(4) .
F3A P1 F5A F6 37(13) .
F4 P1 F5A F6 -174.8(12) .
F2 P1 F5A F6 93.6(11) .
F4A P1 F5A F6 -177.4(12) .
F1 P1 F5A F6 -85.4(11) .
F3 P1 F5A F6 2(3) .
F6A P1 F5A F6 5.8(15) .
F5 P1 F5A F6 -169(4) .
F3A P1 F6 F6A -12(4) .
F4 P1 F6 F6A -82(16) .
F5A P1 F6 F6A 165(4) .
F2 P1 F6 F6A 78(4) .
F4A P1 F6 F6A 171(3) .
F1 P1 F6 F6A -102(4) .
F3 P1 F6 F6A -15(4) .
F5 P1 F6 F6A 169(4) .
F3A P1 F6 F5A -176.4(11) .
F4 P1 F6 F5A 113(15) .
F2 P1 F6 F5A -86.8(10) .
F4A P1 F6 F5A 6(3) .
F1 P1 F6 F5A 92.9(10) .
F3 P1 F6 F5A -179.2(15) .
F6A P1 F6 F5A -165(4) .
F5 P1 F6 F5A 4.0(15) .
F5 F5A F6 F6A -40(10) .
P1 F5A F6 F6A -22(6) .
F5 F5A F6 P1 -18(6) .
F5A F6 F6A P1 19(5) .
P1 F6 F6A F3 17(5) .
F5A F6 F6A F3 36(9) .
F3A P1 F6A F6 169(4) .
F4 P1 F6A F6 167(3) .
F5A P1 F6A F6 -14(4) .
F2 P1 F6A F6 -102(4) .
F4A P1 F6A F6 -74(19) .
F1 P1 F6A F6 77(4) .
F3 P1 F6A F6 164(4) .
F5 P1 F6A F6 -12(4) .
F3A P1 F6A F3 4.7(17) .
F4 P1 F6A F3 3(3) .
F6 P1 F6A F3 -164(4) .
F5A P1 F6A F3 -178.2(15) .
F2 P1 F6A F3 93.7(13) .
F4A P1 F6A F3 122(18) .
F1 P1 F6A F3 -87.0(13) .
F5 P1 F6A F3 -176.1(15) .
F3A F3 F6A F6 -38(10) .
P1 F3 F6A F6 -20(5) .
F3A F3 F6A P1 -17(6) .
Cl1 C33 Cl2 Cl2 25(2) 2
