#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:40:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178719 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/30/4083086.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_4083086
loop_
_publ_author_name
'Norel, Lucie'
'Di Piazza, Emmanuel'
'Feng, Min'
'Vacher, Antoine'
'He, Xiaoyan'
'Roisnel, Thierry'
'Maury, Olivier'
'Rigaut, Stéphane'
_publ_section_title
;
 Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and
 Redox Commutation of Near-IR Luminescence
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4824
_journal_paper_doi               10.1021/om500059d
_journal_volume                  33
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C76 H62 N4 P4 Ru, 2(C H2 Cl2)'
_chemical_formula_sum            'C78 H66 Cl4 N4 P4 Ru'
_chemical_formula_weight         1426.1
_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
_cell_angle_alpha                95.889(3)
_cell_angle_beta                 108.422(3)
_cell_angle_gamma                96.071(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3922(6)
_cell_length_b                   13.4491(9)
_cell_length_c                   13.9372(9)
_cell_measurement_reflns_used    8295
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.31
_cell_measurement_wavelength     0.71073
_cell_volume                     1643.56(19)
_computing_cell_refinement       'Bruker SMART, 2006'
_computing_data_collection       'Bruker SMART, 2006'
_computing_data_reduction        'Bruker SAINT, 2006'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
           WinGX publication routines (Farrugia, 1999),
           CRYSCAL (T. Roisnel, local program)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26101
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             734
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.885
_refine_diff_density_min         -1.199
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         7507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0460P)²+2.3691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.096
_refine_ls_wR_factor_ref         0.0985
_reflns_number_gt                6945
_reflns_number_total             7507
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500059d_si_001.cif
_cod_data_source_block           AVSR8
_cod_database_code               4083086
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 0.5 0.5 0.5 0.00898(7) Uani 1 2 d S
P1 P 0.71995(5) 0.62213(4) 0.57380(4) 0.01071(11) Uani 1 1 d .
P2 P 0.59450(6) 0.48246(4) 0.36204(4) 0.01078(11) Uani 1 1 d .
C1 C 0.3525(2) 0.59616(15) 0.43449(15) 0.0124(4) Uani 1 1 d .
C2 C 0.2579(2) 0.64972(15) 0.39896(15) 0.0141(4) Uani 1 1 d .
C3 C 0.1384(2) 0.70164(15) 0.34568(16) 0.0138(4) Uani 1 1 d .
C4 C 0.0592(2) 0.76188(15) 0.39331(16) 0.0147(4) Uani 1 1 d .
H4 H 0.0891 0.7747 0.4657 0.018 Uiso 1 1 calc R
C5 C -0.0632(2) 0.80261(15) 0.33360(16) 0.0148(4) Uani 1 1 d .
H5 H -0.1173 0.8437 0.3648 0.018 Uiso 1 1 calc R
C6 C -0.1056(2) 0.78246(16) 0.22754(16) 0.0148(4) Uani 1 1 d .
N7 N -0.0287(2) 0.72698(14) 0.18017(14) 0.0174(4) Uani 1 1 d .
C8 C 0.0889(2) 0.68923(16) 0.23786(16) 0.0166(4) Uani 1 1 d .
H8 H 0.1435 0.6512 0.2042 0.02 Uiso 1 1 calc R
C9 C -0.2408(2) 0.81824(16) 0.15863(16) 0.0157(4) Uani 1 1 d .
C10 C -0.3001(2) 0.77544(17) 0.05577(17) 0.0182(4) Uani 1 1 d .
H10 H -0.2533 0.7249 0.0295 0.022 Uiso 1 1 calc R
C11 C -0.4281(3) 0.80763(18) -0.00768(17) 0.0208(4) Uani 1 1 d .
H11 H -0.4697 0.7803 -0.078 0.025 Uiso 1 1 calc R
C12 C -0.4932(3) 0.88042(18) 0.03431(18) 0.0226(5) Uani 1 1 d .
H12 H -0.5817 0.9034 -0.0065 0.027 Uiso 1 1 calc R
C13 C -0.4272(3) 0.91926(17) 0.13672(19) 0.0229(5) Uani 1 1 d .
H13 H -0.473 0.9695 0.1644 0.027 Uiso 1 1 calc R
N14 N -0.3019(2) 0.89029(14) 0.19979(15) 0.0199(4) Uani 1 1 d .
C21 C 0.8593(2) 0.57737(15) 0.51750(15) 0.0128(4) Uani 1 1 d .
H21A H 0.9525 0.6276 0.5386 0.015 Uiso 1 1 calc R
H21B H 0.8869 0.5125 0.5401 0.015 Uiso 1 1 calc R
C22 C 0.7830(2) 0.56344(16) 0.40119(15) 0.0141(4) Uani 1 1 d .
H22A H 0.8488 0.5318 0.3676 0.017 Uiso 1 1 calc R
H22B H 0.7697 0.6303 0.3786 0.017 Uiso 1 1 calc R
C23 C 0.8188(2) 0.63946(16) 0.71242(15) 0.0136(4) Uani 1 1 d .
C24 C 0.9009(2) 0.56575(16) 0.75722(16) 0.0164(4) Uani 1 1 d .
H24 H 0.9073 0.5071 0.7155 0.02 Uiso 1 1 calc R
C25 C 0.9736(3) 0.57746(18) 0.86271(17) 0.0205(4) Uani 1 1 d .
H25 H 1.0281 0.5265 0.8924 0.025 Uiso 1 1 calc R
C26 C 0.9665(3) 0.66317(19) 0.92444(17) 0.0229(5) Uani 1 1 d .
H26 H 1.0161 0.6711 0.9962 0.027 Uiso 1 1 calc R
C27 C 0.8862(3) 0.73755(19) 0.88036(17) 0.0229(5) Uani 1 1 d .
H27 H 0.8826 0.7969 0.9223 0.028 Uiso 1 1 calc R
C28 C 0.8114(2) 0.72574(17) 0.77549(16) 0.0179(4) Uani 1 1 d .
H28 H 0.755 0.7763 0.7464 0.021 Uiso 1 1 calc R
C29 C 0.7377(2) 0.75514(15) 0.54952(15) 0.0129(4) Uani 1 1 d .
C30 C 0.8797(2) 0.81634(16) 0.59167(16) 0.0168(4) Uani 1 1 d .
H30 H 0.9638 0.7892 0.6326 0.02 Uiso 1 1 calc R
C31 C 0.8987(3) 0.91609(17) 0.57439(17) 0.0202(4) Uani 1 1 d .
H31 H 0.9952 0.9567 0.6041 0.024 Uiso 1 1 calc R
C32 C 0.7770(3) 0.95668(17) 0.51381(18) 0.0219(5) Uani 1 1 d .
H32 H 0.7899 1.0249 0.502 0.026 Uiso 1 1 calc R
C33 C 0.6364(3) 0.89659(17) 0.47063(18) 0.0207(4) Uani 1 1 d .
H33 H 0.5532 0.9239 0.4287 0.025 Uiso 1 1 calc R
C34 C 0.6160(2) 0.79652(16) 0.48829(16) 0.0157(4) Uani 1 1 d .
H34 H 0.5191 0.7564 0.4586 0.019 Uiso 1 1 calc R
C35 C 0.4966(2) 0.52658(16) 0.24115(15) 0.0137(4) Uani 1 1 d .
C36 C 0.4885(2) 0.62989(17) 0.24181(17) 0.0184(4) Uani 1 1 d .
H36 H 0.5319 0.6748 0.3041 0.022 Uiso 1 1 calc R
C37 C 0.4174(3) 0.66766(17) 0.15205(18) 0.0207(4) Uani 1 1 d .
H37 H 0.4131 0.738 0.1534 0.025 Uiso 1 1 calc R
C38 C 0.3528(3) 0.60234(18) 0.06058(17) 0.0216(5) Uani 1 1 d .
H38 H 0.3061 0.6281 -0.0009 0.026 Uiso 1 1 calc R
C39 C 0.3569(3) 0.49971(19) 0.05956(17) 0.0226(5) Uani 1 1 d .
H39 H 0.3107 0.4549 -0.0026 0.027 Uiso 1 1 calc R
C40 C 0.4284(2) 0.46143(17) 0.14929(16) 0.0179(4) Uani 1 1 d .
H40 H 0.4305 0.3908 0.1478 0.022 Uiso 1 1 calc R
C41 C 0.6392(2) 0.35951(15) 0.31756(15) 0.0129(4) Uani 1 1 d .
C42 C 0.5859(2) 0.27054(16) 0.34662(16) 0.0157(4) Uani 1 1 d .
H42 H 0.5222 0.273 0.3876 0.019 Uiso 1 1 calc R
C43 C 0.6249(2) 0.17779(17) 0.31625(17) 0.0192(4) Uani 1 1 d .
H43 H 0.5873 0.1178 0.3363 0.023 Uiso 1 1 calc R
C44 C 0.7189(2) 0.17356(17) 0.25668(17) 0.0199(4) Uani 1 1 d .
H44 H 0.7474 0.1109 0.2372 0.024 Uiso 1 1 calc R
C45 C 0.7708(2) 0.26144(17) 0.22577(17) 0.0188(4) Uani 1 1 d .
H45 H 0.834 0.2586 0.1844 0.023 Uiso 1 1 calc R
C46 C 0.7305(2) 0.35359(16) 0.25517(16) 0.0159(4) Uani 1 1 d .
H46 H 0.7652 0.413 0.2328 0.019 Uiso 1 1 calc R
C101 C 0.1395(6) -0.0707(5) 0.1282(5) 0.124(3) Uani 1 1 d .
H10A H 0.0372 -0.0571 0.1263 0.149 Uiso 1 1 calc R
H10B H 0.1306 -0.143 0.1015 0.149 Uiso 1 1 calc R
Cl1 Cl 0.25487(16) -0.05014(12) 0.25145(9) 0.0992(5) Uani 1 1 d .
Cl2 Cl 0.19752(12) 0.00147(8) 0.04679(11) 0.0799(4) Uani 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 0 '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'
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
C1 Ru1 C1 180.00(7) . 2_666
C1 Ru1 P2 86.60(5) . 2_666
C1 Ru1 P2 93.40(5) 2_666 2_666
C1 Ru1 P2 93.40(5) . .
C1 Ru1 P2 86.60(5) 2_666 .
P2 Ru1 P2 179.999(9) 2_666 .
C1 Ru1 P1 97.71(6) . .
C1 Ru1 P1 82.29(6) 2_666 .
P2 Ru1 P1 96.999(18) 2_666 .
P2 Ru1 P1 83.002(18) . .
C1 Ru1 P1 82.29(6) . 2_666
C1 Ru1 P1 97.71(6) 2_666 2_666
P2 Ru1 P1 83.000(18) 2_666 2_666
P2 Ru1 P1 96.999(17) . 2_666
P1 Ru1 P1 180 . 2_666
C23 P1 C21 104.43(9) . .
C23 P1 C29 100.33(9) . .
C21 P1 C29 98.84(9) . .
C23 P1 Ru1 119.77(7) . .
C21 P1 Ru1 104.48(7) . .
C29 P1 Ru1 125.45(7) . .
C35 P2 C41 102.18(9) . .
C35 P2 C22 100.94(9) . .
C41 P2 C22 101.74(9) . .
C35 P2 Ru1 120.39(7) . .
C41 P2 Ru1 120.50(7) . .
C22 P2 Ru1 107.97(7) . .
C2 C1 Ru1 175.22(17) . .
C1 C2 C3 172.1(2) . .
C4 C3 C8 116.29(18) . .
C4 C3 C2 124.32(19) . .
C8 C3 C2 119.32(19) . .
C5 C4 C3 119.56(19) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 119.25(19) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
N7 C6 C5 122.19(19) . .
N7 C6 C9 115.45(18) . .
C5 C6 C9 122.35(19) . .
C8 N7 C6 118.08(18) . .
N7 C8 C3 124.57(19) . .
N7 C8 H8 117.7 . .
C3 C8 H8 117.7 . .
N14 C9 C10 122.88(19) . .
N14 C9 C6 117.55(19) . .
C10 C9 C6 119.56(19) . .
C11 C10 C9 119.3(2) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C12 C11 C10 118.2(2) . .
C12 C11 H11 120.9 . .
C10 C11 H11 120.9 . .
C11 C12 C13 118.9(2) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
N14 C13 C12 124.1(2) . .
N14 C13 H13 117.9 . .
C12 C13 H13 117.9 . .
C9 N14 C13 116.5(2) . .
C22 C21 P1 106.52(13) . .
C22 C21 H21A 110.4 . .
P1 C21 H21A 110.4 . .
C22 C21 H21B 110.4 . .
P1 C21 H21B 110.4 . .
H21A C21 H21B 108.6 . .
C21 C22 P2 110.84(13) . .
C21 C22 H22A 109.5 . .
P2 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
P2 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C24 C23 C28 118.73(19) . .
C24 C23 P1 120.35(16) . .
C28 C23 P1 120.92(16) . .
C25 C24 C23 120.6(2) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C26 C25 C24 120.3(2) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C25 C26 C27 119.5(2) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C28 C27 C26 120.6(2) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C27 C28 C23 120.2(2) . .
C27 C28 H28 119.9 . .
C23 C28 H28 119.9 . .
C34 C29 C30 118.42(19) . .
C34 C29 P1 122.62(15) . .
C30 C29 P1 118.94(15) . .
C31 C30 C29 120.9(2) . .
C31 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C30 C31 C32 120.3(2) . .
C30 C31 H31 119.9 . .
C32 C31 H31 119.9 . .
C33 C32 C31 119.4(2) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
C32 C33 C34 120.7(2) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C33 C34 C29 120.3(2) . .
C33 C34 H34 119.9 . .
C29 C34 H34 119.9 . .
C40 C35 C36 118.74(19) . .
C40 C35 P2 122.91(16) . .
C36 C35 P2 118.35(16) . .
C37 C36 C35 120.7(2) . .
C37 C36 H36 119.6 . .
C35 C36 H36 119.6 . .
C38 C37 C36 120.0(2) . .
C38 C37 H37 120 . .
C36 C37 H37 120 . .
C39 C38 C37 119.7(2) . .
C39 C38 H38 120.1 . .
C37 C38 H38 120.1 . .
C38 C39 C40 120.5(2) . .
C38 C39 H39 119.7 . .
C40 C39 H39 119.7 . .
C35 C40 C39 120.2(2) . .
C35 C40 H40 119.9 . .
C39 C40 H40 119.9 . .
C42 C41 C46 118.44(19) . .
C42 C41 P2 120.99(15) . .
C46 C41 P2 120.55(16) . .
C41 C42 C43 120.96(19) . .
C41 C42 H42 119.5 . .
C43 C42 H42 119.5 . .
C44 C43 C42 119.9(2) . .
C44 C43 H43 120 . .
C42 C43 H43 120 . .
C43 C44 C45 119.7(2) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C44 C45 C46 120.3(2) . .
C44 C45 H45 119.8 . .
C46 C45 H45 119.8 . .
C45 C46 C41 120.6(2) . .
C45 C46 H46 119.7 . .
C41 C46 H46 119.7 . .
Cl1 C101 Cl2 115.4(3) . .
Cl1 C101 H10A 108.4 . .
Cl2 C101 H10A 108.4 . .
Cl1 C101 H10B 108.4 . .
Cl2 C101 H10B 108.4 . .
H10A C101 H10B 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.061(2) .
Ru1 C1 2.061(2) 2_666
Ru1 P2 2.3601(5) 2_666
Ru1 P2 2.3602(5) .
Ru1 P1 2.3698(5) .
Ru1 P1 2.3698(5) 2_666
P1 C23 1.838(2) .
P1 C21 1.846(2) .
P1 C29 1.855(2) .
P2 C35 1.838(2) .
P2 C41 1.843(2) .
P2 C22 1.865(2) .
C1 C2 1.218(3) .
C2 C3 1.430(3) .
C3 C4 1.407(3) .
C3 C8 1.412(3) .
C4 C5 1.392(3) .
C4 H4 0.95 .
C5 C6 1.393(3) .
C5 H5 0.95 .
C6 N7 1.352(3) .
C6 C9 1.490(3) .
N7 C8 1.329(3) .
C8 H8 0.95 .
C9 N14 1.345(3) .
C9 C10 1.398(3) .
C10 C11 1.390(3) .
C10 H10 0.95 .
C11 C12 1.382(3) .
C11 H11 0.95 .
C12 C13 1.383(3) .
C12 H12 0.95 .
C13 N14 1.350(3) .
C13 H13 0.95 .
C21 C22 1.533(3) .
C21 H21A 0.99 .
C21 H21B 0.99 .
C22 H22A 0.99 .
C22 H22B 0.99 .
C23 C24 1.397(3) .
C23 C28 1.404(3) .
C24 C25 1.396(3) .
C24 H24 0.95 .
C25 C26 1.386(3) .
C25 H25 0.95 .
C26 C27 1.393(3) .
C26 H26 0.95 .
C27 C28 1.391(3) .
C27 H27 0.95 .
C28 H28 0.95 .
C29 C34 1.400(3) .
C29 C30 1.405(3) .
C30 C31 1.390(3) .
C30 H30 0.95 .
C31 C32 1.391(3) .
C31 H31 0.95 .
C32 C33 1.390(3) .
C32 H32 0.95 .
C33 C34 1.397(3) .
C33 H33 0.95 .
C34 H34 0.95 .
C35 C40 1.396(3) .
C35 C36 1.399(3) .
C36 C37 1.394(3) .
C36 H36 0.95 .
C37 C38 1.391(3) .
C37 H37 0.95 .
C38 C39 1.384(3) .
C38 H38 0.95 .
C39 C40 1.398(3) .
C39 H39 0.95 .
C40 H40 0.95 .
C41 C42 1.395(3) .
C41 C46 1.404(3) .
C42 C43 1.399(3) .
C42 H42 0.95 .
C43 C44 1.391(3) .
C43 H43 0.95 .
C44 C45 1.391(3) .
C44 H44 0.95 .
C45 C46 1.393(3) .
C45 H45 0.95 .
C46 H46 0.95 .
C101 Cl1 1.693(6) .
C101 Cl2 1.740(4) .
C101 H10A 0.99 .
C101 H10B 0.99 .
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_1
C1 Ru1 P1 C23 121.66(9) .
C1 Ru1 P1 C23 -58.34(9) 2_666
P2 Ru1 P1 C23 34.16(8) 2_666
P2 Ru1 P1 C23 -145.84(8) .
C1 Ru1 P1 C21 -121.97(9) .
C1 Ru1 P1 C21 58.03(9) 2_666
P2 Ru1 P1 C21 150.53(7) 2_666
P2 Ru1 P1 C21 -29.47(7) .
C1 Ru1 P1 C29 -9.71(10) .
C1 Ru1 P1 C29 170.29(10) 2_666
P2 Ru1 P1 C29 -97.21(8) 2_666
P2 Ru1 P1 C29 82.79(8) .
C1 Ru1 P2 C35 -12.66(10) .
C1 Ru1 P2 C35 167.34(10) 2_666
P1 Ru1 P2 C35 -110.02(8) .
P1 Ru1 P2 C35 69.98(8) 2_666
C1 Ru1 P2 C41 -141.67(9) .
C1 Ru1 P2 C41 38.33(9) 2_666
P1 Ru1 P2 C41 120.97(8) .
P1 Ru1 P2 C41 -59.03(8) 2_666
C1 Ru1 P2 C22 102.27(9) .
C1 Ru1 P2 C22 -77.73(9) 2_666
P1 Ru1 P2 C22 4.91(7) .
P1 Ru1 P2 C22 -175.09(7) 2_666
C8 C3 C4 C5 1.8(3) .
C2 C3 C4 C5 -174.96(19) .
C3 C4 C5 C6 0.3(3) .
C4 C5 C6 N7 -2.1(3) .
C4 C5 C6 C9 176.29(19) .
C5 C6 N7 C8 1.4(3) .
C9 C6 N7 C8 -177.04(18) .
C6 N7 C8 C3 1.0(3) .
C4 C3 C8 N7 -2.6(3) .
C2 C3 C8 N7 174.4(2) .
N7 C6 C9 N14 -166.39(19) .
C5 C6 C9 N14 15.1(3) .
N7 C6 C9 C10 14.6(3) .
C5 C6 C9 C10 -163.9(2) .
N14 C9 C10 C11 -0.3(3) .
C6 C9 C10 C11 178.68(19) .
C9 C10 C11 C12 -0.8(3) .
C10 C11 C12 C13 1.1(3) .
C11 C12 C13 N14 -0.3(4) .
C10 C9 N14 C13 1.0(3) .
C6 C9 N14 C13 -177.94(19) .
C12 C13 N14 C9 -0.8(3) .
C23 P1 C21 C22 -179.02(13) .
C29 P1 C21 C22 -75.88(14) .
Ru1 P1 C21 C22 54.39(13) .
P1 C21 C22 P2 -52.51(16) .
C35 P2 C22 C21 154.24(14) .
C41 P2 C22 C21 -100.71(15) .
Ru1 P2 C22 C21 27.06(15) .
C21 P1 C23 C24 -45.22(18) .
C29 P1 C23 C24 -147.24(17) .
Ru1 P1 C23 C24 71.18(17) .
C21 P1 C23 C28 135.87(17) .
C29 P1 C23 C28 33.85(18) .
Ru1 P1 C23 C28 -107.73(16) .
C28 C23 C24 C25 0.3(3) .
P1 C23 C24 C25 -178.65(16) .
C23 C24 C25 C26 -0.7(3) .
C24 C25 C26 C27 0.0(3) .
C25 C26 C27 C28 1.0(3) .
C26 C27 C28 C23 -1.4(3) .
C24 C23 C28 C27 0.8(3) .
P1 C23 C28 C27 179.70(16) .
C23 P1 C29 C34 -134.71(17) .
C21 P1 C29 C34 118.75(18) .
Ru1 P1 C29 C34 3.8(2) .
C23 P1 C29 C30 47.16(18) .
C21 P1 C29 C30 -59.37(18) .
Ru1 P1 C29 C30 -174.30(13) .
C34 C29 C30 C31 1.0(3) .
P1 C29 C30 C31 179.16(16) .
C29 C30 C31 C32 -0.7(3) .
C30 C31 C32 C33 -0.1(3) .
C31 C32 C33 C34 0.6(3) .
C32 C33 C34 C29 -0.3(3) .
C30 C29 C34 C33 -0.4(3) .
P1 C29 C34 C33 -178.57(16) .
C41 P2 C35 C40 21.30(19) .
C22 P2 C35 C40 126.00(18) .
Ru1 P2 C35 C40 -115.47(16) .
C41 P2 C35 C36 -159.59(16) .
C22 P2 C35 C36 -54.89(18) .
Ru1 P2 C35 C36 63.64(18) .
C40 C35 C36 C37 -1.8(3) .
P2 C35 C36 C37 179.09(17) .
C35 C36 C37 C38 0.4(3) .
C36 C37 C38 C39 1.3(3) .
C37 C38 C39 C40 -1.4(4) .
C36 C35 C40 C39 1.6(3) .
P2 C35 C40 C39 -179.31(17) .
C38 C39 C40 C35 0.0(3) .
C35 P2 C41 C42 -121.37(17) .
C22 P2 C41 C42 134.56(17) .
Ru1 P2 C41 C42 15.34(19) .
C35 P2 C41 C46 59.97(18) .
C22 P2 C41 C46 -44.10(18) .
Ru1 P2 C41 C46 -163.32(14) .
C46 C41 C42 C43 1.3(3) .
P2 C41 C42 C43 -177.37(16) .
C41 C42 C43 C44 0.4(3) .
C42 C43 C44 C45 -1.4(3) .
C43 C44 C45 C46 0.7(3) .
C44 C45 C46 C41 1.0(3) .
C42 C41 C46 C45 -2.0(3) .
P2 C41 C46 C45 176.70(16) .
