#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/46/4074668.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_4074668
loop_
_publ_author_name
'Gao, Li-Bin'
'Liu, Sheng-Hua'
'Zhang, Li-Yi'
'Shi, Lin-Xi'
'Chen, Zhong-Ning'
_publ_section_title
;
 Preparation, Characterization, Redox Properties, and
 UV−Vis−NIR Spectra of Binuclear Ruthenium Complexes
 [{(Phtpy)(PPh3)2Ru}2{C⋮C−(CHCH)m−C⋮C}]n+(Phtpy
 =
 4‘-phenyl-2,2‘:6‘,2‘ ‘-terpyridine)
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              506
_journal_paper_doi               10.1021/om050765l
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C59 H46 F6 N3 O0.5 P3 Ru'
_chemical_formula_weight         1112.97
_chemical_name_systematic
; 
 ? 
;
_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                 131.978(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.214(3)
_cell_length_b                   13.1766(8)
_cell_length_c                   28.174(2)
_cell_measurement_reflns_used    7674
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0494
_cell_volume                     10822.2(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            33614
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.441
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8941
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4544
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.188
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         9498
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1223P)²+30.5163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1973
_refine_ls_wR_factor_ref         0.2055
_reflns_number_gt                8513
_reflns_number_total             9498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050765lsi20050903_112406.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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      C2/c
_cod_original_formula_sum        'C59 H46 F6 N3 O0.50 P3 Ru'
_cod_database_code               4074668
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_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
Ru Ru 0.891688(11) -0.11445(3) 0.730790(16) 0.04250(16) Uani 1 1 d . . .
P1 P 0.91216(5) 0.04916(9) 0.77825(6) 0.0542(3) Uani 1 1 d . . .
P2 P 0.87895(4) -0.27685(9) 0.68504(6) 0.0485(3) Uani 1 1 d . . .
P3 P 0.80305(13) 0.7253(4) 0.92233(14) 0.184(2) Uani 1 1 d D . .
F1 F 0.7868(6) 0.7195(18) 0.9604(6) 0.432(15) Uani 1 1 d D . .
F2 F 0.8357(5) 0.7979(14) 0.9795(8) 0.325(8) Uani 1 1 d D . .
F3 F 0.8203(6) 0.6177(15) 0.9453(9) 0.423(14) Uani 1 1 d D . .
F4 F 0.8237(7) 0.7295(12) 0.8974(10) 0.440(13) Uani 1 1 d D . .
F5 F 0.7590(3) 0.6804(8) 0.8686(4) 0.220(4) Uani 1 1 d D . .
F6 F 0.7868(10) 0.8264(13) 0.8960(8) 0.57(2) Uani 1 1 d D . .
N1 N 0.91793(14) -0.1786(3) 0.81759(19) 0.0575(10) Uani 1 1 d . . .
N2 N 0.83565(14) -0.1218(3) 0.7192(2) 0.0532(9) Uani 1 1 d . A .
N3 N 0.84262(13) -0.0500(3) 0.64054(17) 0.0488(8) Uani 1 1 d . . .
C1 C 0.94700(15) -0.1026(3) 0.7406(2) 0.0453(10) Uani 1 1 d . . .
C2 C 0.98084(15) -0.0965(3) 0.7463(2) 0.0479(10) Uani 1 1 d . . .
C11 C 0.84898(19) -0.0073(4) 0.6042(2) 0.0576(11) Uani 1 1 d . . .
H11A H 0.8783 -0.0070 0.6186 0.069 Uiso 1 1 calc R . .
C12 C 0.8137(2) 0.0367(5) 0.5461(3) 0.0793(17) Uani 1 1 d . . .
H12A H 0.8191 0.0644 0.5214 0.095 Uiso 1 1 calc R . .
C13 C 0.7711(3) 0.0391(6) 0.5254(3) 0.098(2) Uani 1 1 d . . .
H13A H 0.7472 0.0700 0.4867 0.118 Uiso 1 1 calc R . .
C14 C 0.7632(2) -0.0043(6) 0.5619(3) 0.0845(19) Uani 1 1 d . . .
H14A H 0.7340 -0.0040 0.5478 0.101 Uiso 1 1 calc R . .
C15 C 0.79937(16) -0.0482(4) 0.6197(2) 0.0575(12) Uani 1 1 d . . .
C16 C 0.79552(17) -0.0887(4) 0.6646(3) 0.0623(13) Uani 1 1 d . . .
C17 C 0.7568(2) -0.0879(6) 0.6568(3) 0.090(2) Uani 1 1 d . A .
H17A H 0.7291 -0.0637 0.6191 0.108 Uiso 1 1 calc R . .
C18 C 0.7592(3) -0.1234(7) 0.7054(4) 0.105(3) Uani 1 1 d . . .
C19 C 0.8012(3) -0.1589(6) 0.7612(4) 0.093(2) Uani 1 1 d . A .
H19A H 0.8035 -0.1843 0.7940 0.111 Uiso 1 1 calc R . .
C20 C 0.8392(2) -0.1567(5) 0.7677(3) 0.0680(14) Uani 1 1 d . . .
C21 C 0.8861(2) -0.1868(5) 0.8239(3) 0.0707(14) Uani 1 1 d . A .
C22 C 0.8990(3) -0.2220(7) 0.8801(4) 0.106(3) Uani 1 1 d . . .
H22A H 0.8770 -0.2291 0.8834 0.128 Uiso 1 1 calc R A .
C23 C 0.9436(4) -0.2465(9) 0.9309(4) 0.134(4) Uani 1 1 d . A .
H23A H 0.9525 -0.2673 0.9694 0.161 Uiso 1 1 calc R . .
C24 C 0.9748(3) -0.2399(7) 0.9240(4) 0.123(3) Uani 1 1 d . . .
H24A H 1.0052 -0.2583 0.9576 0.147 Uiso 1 1 calc R A .
C25 C 0.9614(2) -0.2061(5) 0.8676(3) 0.0781(16) Uani 1 1 d . A .
H25A H 0.9832 -0.2021 0.8638 0.094 Uiso 1 1 calc R . .
C101 C 0.8886(3) 0.0713(5) 0.8162(3) 0.0822(18) Uani 1 1 d . . .
C102 C 0.9182(4) 0.0543(7) 0.8817(4) 0.125(3) Uani 1 1 d . . .
H10A H 0.9494 0.0450 0.9058 0.150 Uiso 1 1 calc R . .
C103 C 0.8994(6) 0.0514(11) 0.9114(7) 0.187(6) Uani 1 1 d . . .
H10C H 0.9183 0.0386 0.9549 0.224 Uiso 1 1 calc R . .
C104 C 0.8538(5) 0.0676(9) 0.8752(7) 0.156(3) Uani 1 1 d . . .
H10D H 0.8415 0.0649 0.8942 0.187 Uiso 1 1 calc R . .
C105 C 0.8251(5) 0.0882(8) 0.8103(7) 0.156(3) Uani 1 1 d . . .
H10E H 0.7943 0.1031 0.7868 0.187 Uiso 1 1 calc R . .
C106 C 0.8426(5) 0.0864(8) 0.7810(7) 0.156(3) Uani 1 1 d . . .
H10F H 0.8230 0.0954 0.7371 0.187 Uiso 1 1 calc R . .
C111 C 0.8942(2) 0.1502(4) 0.7209(2) 0.0620(13) Uani 1 1 d . . .
C112 C 0.9225(3) 0.1653(4) 0.7084(3) 0.0787(16) Uani 1 1 d . . .
H11B H 0.9500 0.1300 0.7314 0.094 Uiso 1 1 calc R . .
C113 C 0.9091(4) 0.2352(5) 0.6603(4) 0.104(3) Uani 1 1 d . . .
H11C H 0.9281 0.2459 0.6520 0.125 Uiso 1 1 calc R . .
C114 C 0.8691(4) 0.2862(5) 0.6265(4) 0.107(3) Uani 1 1 d . . .
H11D H 0.8605 0.3315 0.5948 0.128 Uiso 1 1 calc R . .
C115 C 0.8419(3) 0.2714(6) 0.6388(4) 0.110(3) Uani 1 1 d . . .
H11E H 0.8144 0.3071 0.6155 0.132 Uiso 1 1 calc R . .
C116 C 0.8537(2) 0.2033(5) 0.6861(3) 0.0842(17) Uani 1 1 d . . .
H11F H 0.8343 0.1941 0.6939 0.101 Uiso 1 1 calc R . .
C121 C 0.9720(2) 0.0865(5) 0.8427(3) 0.0687(14) Uani 1 1 d . . .
C122 C 1.0083(2) 0.0215(6) 0.8701(3) 0.0833(18) Uani 1 1 d . . .
H12B H 1.0027 -0.0451 0.8557 0.100 Uiso 1 1 calc R . .
C123 C 1.0538(3) 0.0539(9) 0.9196(3) 0.122(3) Uani 1 1 d . . .
H12C H 1.0783 0.0098 0.9378 0.146 Uiso 1 1 calc R . .
C124 C 1.0609(4) 0.1529(11) 0.9404(5) 0.144(5) Uani 1 1 d . . .
H12E H 1.0907 0.1746 0.9741 0.173 Uiso 1 1 calc R . .
C125 C 1.0268(5) 0.2177(8) 0.9139(4) 0.142(5) Uani 1 1 d . . .
H12F H 1.0327 0.2849 0.9274 0.170 Uiso 1 1 calc R . .
C126 C 0.9815(3) 0.1848(5) 0.8651(3) 0.104(3) Uani 1 1 d . . .
H12G H 0.9575 0.2301 0.8477 0.125 Uiso 1 1 calc R . .
C201 C 0.91995(18) -0.3777(3) 0.7373(2) 0.0565(12) Uani 1 1 d . . .
C202 C 0.96632(19) -0.3552(4) 0.7765(3) 0.0661(13) Uani 1 1 d . . .
H20A H 0.9753 -0.2886 0.7792 0.079 Uiso 1 1 calc R . .
C203 C 0.9992(2) -0.4295(5) 0.8113(3) 0.0827(17) Uani 1 1 d . . .
H20B H 1.0302 -0.4131 0.8377 0.099 Uiso 1 1 calc R . .
C204 C 0.9860(3) -0.5287(5) 0.8068(3) 0.091(2) Uani 1 1 d . . .
H20C H 1.0080 -0.5796 0.8296 0.109 Uiso 1 1 calc R . .
C205 C 0.9403(3) -0.5521(5) 0.7685(4) 0.092(2) Uani 1 1 d . . .
H20D H 0.9315 -0.6188 0.7663 0.110 Uiso 1 1 calc R . .
C206 C 0.9072(2) -0.4780(4) 0.7334(3) 0.0769(16) Uani 1 1 d . . .
H20E H 0.8763 -0.4950 0.7070 0.092 Uiso 1 1 calc R . .
C211 C 0.87707(15) -0.2952(4) 0.6185(2) 0.0549(11) Uani 1 1 d . . .
C212 C 0.8616(2) -0.3851(5) 0.5854(3) 0.0742(16) Uani 1 1 d . . .
H21A H 0.8493 -0.4337 0.5942 0.089 Uiso 1 1 calc R . .
C213 C 0.8637(2) -0.4054(6) 0.5396(4) 0.096(2) Uani 1 1 d . . .
H21B H 0.8533 -0.4671 0.5180 0.115 Uiso 1 1 calc R . .
C214 C 0.8816(3) -0.3318(7) 0.5261(4) 0.105(2) Uani 1 1 d . . .
H21C H 0.8832 -0.3443 0.4951 0.126 Uiso 1 1 calc R . .
C215 C 0.8970(3) -0.2413(6) 0.5580(4) 0.0894(19) Uani 1 1 d . . .
H21D H 0.9085 -0.1919 0.5484 0.107 Uiso 1 1 calc R . .
C216 C 0.89525(19) -0.2244(4) 0.6046(3) 0.0668(13) Uani 1 1 d . . .
H21E H 0.9066 -0.1637 0.6273 0.080 Uiso 1 1 calc R . .
C221 C 0.82256(17) -0.3241(4) 0.6512(3) 0.0625(13) Uani 1 1 d . . .
C222 C 0.8162(2) -0.3664(5) 0.6891(4) 0.0845(18) Uani 1 1 d . . .
H22B H 0.8412 -0.3799 0.7319 0.101 Uiso 1 1 calc R . .
C223 C 0.7712(3) -0.3892(6) 0.6625(5) 0.111(3) Uani 1 1 d . . .
H22C H 0.7669 -0.4201 0.6878 0.134 Uiso 1 1 calc R . .
C224 C 0.7348(3) -0.3670(7) 0.6016(5) 0.113(3) Uani 1 1 d . . .
H22D H 0.7054 -0.3804 0.5855 0.136 Uiso 1 1 calc R . .
C225 C 0.7401(2) -0.3257(6) 0.5636(4) 0.097(2) Uani 1 1 d . . .
H22E H 0.7147 -0.3120 0.5211 0.116 Uiso 1 1 calc R . .
C226 C 0.78407(18) -0.3034(5) 0.5883(3) 0.0729(15) Uani 1 1 d . . .
H22F H 0.7877 -0.2739 0.5618 0.087 Uiso 1 1 calc R . .
O O 1.0130(14) -0.5044(12) 0.9695(12) 0.35(2) Uani 0.50 1 d P . .
C31 C 0.7169(5) -0.0895(11) 0.6954(8) 0.087(5) Uani 0.499(10) 1 d PD A 1
C32 C 0.7125(12) -0.149(2) 0.7326(13) 0.109(8) Uani 0.499(10) 1 d PD A 1
C33 C 0.6758(10) -0.132(3) 0.7293(18) 0.128(8) Uani 0.499(10) 1 d PD A 1
C34 C 0.6428(6) -0.0594(16) 0.6865(10) 0.128(7) Uani 0.499(10) 1 d PD A 1
C35 C 0.6493(6) 0.0044(14) 0.6538(10) 0.127(7) Uani 0.499(10) 1 d PD A 1
C36 C 0.6861(5) -0.0101(10) 0.6571(8) 0.100(5) Uani 0.499(10) 1 d PD A 1
C31' C 0.7205(5) -0.1523(11) 0.7036(7) 0.078(4) Uani 0.501(10) 1 d PD A 2
C32' C 0.7251(14) -0.131(2) 0.7562(15) 0.109(8) Uani 0.50 1 d PD A 2
C33' C 0.6869(9) -0.132(3) 0.7501(18) 0.128(8) Uani 0.50 1 d PD A 2
C34' C 0.6446(6) -0.1566(13) 0.6911(10) 0.110(6) Uani 0.501(10) 1 d PD A 2
C35' C 0.6390(6) -0.1758(14) 0.6381(10) 0.124(7) Uani 0.501(10) 1 d PD A 2
C36' C 0.6777(4) -0.1742(12) 0.6446(8) 0.103(5) Uani 0.501(10) 1 d PD A 2
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'
O O 0.0106 0.0060 '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_3
N2 Ru C1 178.02(17) .
N2 Ru N3 78.66(15) .
C1 Ru N3 99.68(16) .
N2 Ru N1 78.39(17) .
C1 Ru N1 103.24(17) .
N3 Ru N1 157.00(16) .
N2 Ru P2 93.36(12) .
C1 Ru P2 87.72(12) .
N3 Ru P2 91.00(11) .
N1 Ru P2 91.77(12) .
N2 Ru P1 93.26(12) .
C1 Ru P1 85.66(13) .
N3 Ru P1 90.32(11) .
N1 Ru P1 89.53(12) .
P2 Ru P1 173.38(4) .
C121 P1 C111 99.3(3) .
C121 P1 C101 100.8(3) .
C111 P1 C101 110.6(3) .
C121 P1 Ru 122.0(2) .
C111 P1 Ru 112.13(17) .
C101 P1 Ru 111.0(2) .
C201 P2 C221 106.0(2) .
C201 P2 C211 98.0(2) .
C221 P2 C211 102.3(2) .
C201 P2 Ru 117.72(17) .
C221 P2 Ru 109.33(17) .
C211 P2 Ru 121.47(17) .
F4 P3 F6 84.7(13) .
F4 P3 F5 100.2(10) .
F6 P3 F5 91.8(10) .
F4 P3 F3 90.4(11) .
F6 P3 F3 174.7(13) .
F5 P3 F3 86.8(9) .
F4 P3 F2 98.5(9) .
F6 P3 F2 74.9(10) .
F5 P3 F2 155.9(8) .
F3 P3 F2 108.1(11) .
F4 P3 F1 171.7(13) .
F6 P3 F1 98.9(16) .
F5 P3 F1 87.2(6) .
F3 P3 F1 86.2(10) .
F2 P3 F1 75.5(7) .
C25 N1 C21 117.8(5) .
C25 N1 Ru 128.4(4) .
C21 N1 Ru 113.7(3) .
C16 N2 C20 121.1(4) .
C16 N2 Ru 119.4(3) .
C20 N2 Ru 119.4(4) .
C11 N3 C15 118.5(4) .
C11 N3 Ru 128.0(3) .
C15 N3 Ru 113.4(3) .
C2 C1 Ru 179.2(4) .
C1 C2 C2 176.1(3) 2_756
N3 C11 C12 122.4(5) .
C13 C12 C11 119.5(6) .
C12 C13 C14 119.7(5) .
C13 C14 C15 119.2(6) .
N3 C15 C14 120.7(5) .
N3 C15 C16 115.7(4) .
C14 C15 C16 123.5(5) .
N2 C16 C17 120.4(5) .
N2 C16 C15 112.9(4) .
C17 C16 C15 126.5(5) .
C16 C17 C18 119.8(6) .
C17 C18 C19 118.5(6) .
C17 C18 C31' 129.6(8) .
C19 C18 C31' 110.5(8) .
C17 C18 C31 111.4(9) .
C19 C18 C31 127.9(8) .
C31' C18 C31 31.8(6) .
C20 C19 C18 120.0(6) .
N2 C20 C19 120.0(6) .
N2 C20 C21 112.8(4) .
C19 C20 C21 127.1(5) .
N1 C21 C22 120.4(6) .
N1 C21 C20 115.5(4) .
C22 C21 C20 124.1(6) .
C23 C22 C21 120.7(7) .
C22 C23 C24 118.6(7) .
C23 C24 C25 120.0(8) .
N1 C25 C24 122.5(7) .
C106 C101 C102 120.4(7) .
C106 C101 P1 122.0(7) .
C102 C101 P1 116.7(6) .
C101 C102 C103 118.7(10) .
C104 C103 C102 119.3(11) .
C103 C104 C105 121.3(9) .
C106 C105 C104 119.5(12) .
C101 C106 C105 120.6(12) .
C116 C111 C112 119.1(5) .
C116 C111 P1 125.2(5) .
C112 C111 P1 115.4(4) .
C111 C112 C113 119.4(7) .
C114 C113 C112 120.6(8) .
C115 C114 C113 119.8(7) .
C114 C115 C116 121.6(8) .
C111 C116 C115 119.5(7) .
C122 C121 C126 117.8(7) .
C122 C121 P1 123.3(5) .
C126 C121 P1 118.9(6) .
C121 C122 C123 121.2(8) .
C124 C123 C122 118.1(10) .
C125 C124 C123 122.0(9) .
C124 C125 C126 119.7(9) .
C121 C126 C125 121.1(9) .
C202 C201 C206 118.4(5) .
C202 C201 P2 117.6(4) .
C206 C201 P2 123.4(4) .
C203 C202 C201 121.4(6) .
C202 C203 C204 119.4(6) .
C205 C204 C203 120.0(6) .
C204 C205 C206 120.8(6) .
C205 C206 C201 120.0(6) .
C212 C211 C216 118.1(5) .
C212 C211 P2 120.2(4) .
C216 C211 P2 121.4(4) .
C211 C212 C213 121.9(6) .
C212 C213 C214 118.7(6) .
C215 C214 C213 120.7(6) .
C214 C215 C216 119.0(7) .
C211 C216 C215 121.6(6) .
C222 C221 C226 117.9(5) .
C222 C221 P2 121.3(5) .
C226 C221 P2 120.0(4) .
C221 C222 C223 119.3(7) .
C224 C223 C222 121.1(7) .
C225 C224 C223 120.7(7) .
C224 C225 C226 119.5(7) .
C221 C226 C225 121.5(6) .
C32 C31 C36 121.1(19) .
C32 C31 C18 111(2) .
C36 C31 C18 128.1(12) .
C33 C32 C31 120(3) .
C34 C33 C32 119(3) .
C35 C34 C33 121(2) .
C34 C35 C36 120.8(15) .
C35 C36 C31 118.1(13) .
C36' C31' C32' 121(2) .
C36' C31' C18 117.8(11) .
C32' C31' C18 119.5(19) .
C33' C32' C31' 120(3) .
C34' C33' C32' 118(4) .
C35' C34' C33' 122(3) .
C34' C35' C36' 118.8(16) .
C31' C36' C35' 119.6(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru N2 1.996(4) .
Ru C1 2.000(5) .
Ru N3 2.084(4) .
Ru N1 2.095(4) .
Ru P2 2.3725(12) .
Ru P1 2.3757(13) .
P1 C121 1.828(6) .
P1 C111 1.833(5) .
P1 C101 1.843(6) .
P2 C201 1.831(5) .
P2 C221 1.835(5) .
P2 C211 1.843(5) .
P3 F4 1.382(8) .
P3 F6 1.449(18) .
P3 F5 1.459(7) .
P3 F3 1.517(15) .
P3 F2 1.546(12) .
P3 F1 1.572(13) .
N1 C25 1.346(7) .
N1 C21 1.376(7) .
N2 C16 1.340(7) .
N2 C20 1.357(7) .
N3 C11 1.329(6) .
N3 C15 1.375(6) .
C1 C2 1.229(7) .
C2 C2 1.371(9) 2_756
C11 C12 1.378(8) .
C12 C13 1.352(10) .
C13 C14 1.380(10) .
C14 C15 1.381(7) .
C15 C16 1.470(7) .
C16 C17 1.382(7) .
C17 C18 1.389(11) .
C18 C19 1.391(11) .
C18 C31' 1.534(14) .
C18 C31 1.555(13) .
C19 C20 1.376(8) .
C20 C21 1.468(8) .
C21 C22 1.382(8) .
C22 C23 1.364(12) .
C23 C24 1.367(12) .
C24 C25 1.371(10) .
C101 C106 1.373(14) .
C101 C102 1.393(11) .
C102 C103 1.435(11) .
C103 C104 1.360(17) .
C104 C105 1.388(17) .
C105 C106 1.384(11) .
C111 C116 1.375(8) .
C111 C112 1.380(8) .
C112 C113 1.417(9) .
C113 C114 1.350(12) .
C114 C115 1.339(12) .
C115 C116 1.402(10) .
C121 C122 1.375(9) .
C121 C126 1.378(9) .
C122 C123 1.407(9) .
C123 C124 1.380(16) .
C124 C125 1.320(16) .
C125 C126 1.402(13) .
C201 C202 1.389(8) .
C201 C206 1.391(7) .
C202 C203 1.376(8) .
C203 C204 1.381(10) .
C204 C205 1.372(10) .
C205 C206 1.378(9) .
C211 C212 1.372(7) .
C211 C216 1.379(7) .
C212 C213 1.373(9) .
C213 C214 1.393(11) .
C214 C215 1.366(11) .
C215 C216 1.381(8) .
C221 C222 1.366(8) .
C221 C226 1.385(8) .
C222 C223 1.413(10) .
C223 C224 1.340(12) .
C224 C225 1.335(12) .
C225 C226 1.393(8) .
C31 C32 1.403(18) .
C31 C36 1.404(15) .
C32 C33 1.399(17) .
C33 C34 1.396(19) .
C34 C35 1.393(16) .
C35 C36 1.395(13) .
C31' C36' 1.390(15) .
C31' C32' 1.395(18) .
C32' C33' 1.391(16) .
C33' C34' 1.389(18) .
C34' C35' 1.382(16) .
C35' C36' 1.402(13) .
