#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/04/4320459.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_4320459
loop_
_publ_author_name
'Céline Bonnefous'
'Abdellatif Chouai'
'Randolph P. Thummel'
_publ_section_title
;
 Cyclometalated Complexes of Ru(II) with 2-Aryl Derivatives of Quinoline
 and 1,10-Phenanthroline
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5851
_journal_page_last               5859
_journal_paper_doi               10.1021/ic0102844
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C45 H28 N5 Ru +, P F6 -'
_chemical_formula_sum            'C45 H28 F6 N5 P Ru'
_chemical_formula_weight         884.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 107.505(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.1102(11)
_cell_length_b                   8.4638(3)
_cell_length_c                   31.2908(12)
_cell_measurement_reflns_used    8166
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.51
_cell_measurement_theta_min      1.36
_cell_volume                     7099.9(5)
_computing_cell_refinement       'Bruker SAINT software (Bruker, 1999)'
_computing_data_collection       'Siemens SMART software (Siemens, 1996)'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 1K
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       CCD
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            32908
_diffrn_reflns_theta_full        23.51
_diffrn_reflns_theta_max         23.51
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_T_max  0.8322
_exptl_absorpt_correction_T_min  0.7566
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Very dark red'
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Column
_exptl_crystal_F_000             3568
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       0.00006(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1045
_refine_ls_number_reflns         10507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.241
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0333P)²+11.6540P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                8013
_reflns_number_total             11317
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic0102844_1.cif
_cod_data_source_block           k570
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C45 H28 N5 F6 P Ru'
_cod_database_code               4320459
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ru1 Ru 0.908182(9) 0.44628(3) 0.346194(9) 0.02121(8) Uani 1 1 d . . .
Ru2 Ru 0.662027(9) 0.28304(3) 0.594333(9) 0.02258(8) Uani 1 1 d . . .
N1 N 0.93101(10) 0.3716(3) 0.41639(9) 0.0237(6) Uani 1 1 d . . .
C2 C 0.97598(12) 0.3594(4) 0.44648(11) 0.0291(8) Uani 1 1 d . . .
H2 H 1.0043 0.3825 0.4375 0.035 Uiso 1 1 calc R . .
C3 C 0.98277(14) 0.3136(4) 0.49095(12) 0.0345(9) Uani 1 1 d . . .
H3 H 1.0151 0.3030 0.5109 0.041 Uiso 1 1 calc R . .
C4 C 0.94237(14) 0.2842(4) 0.50532(12) 0.0384(9) Uani 1 1 d . . .
H4 H 0.9468 0.2543 0.5352 0.046 Uiso 1 1 calc R . .
C5 C 0.89429(14) 0.2987(4) 0.47539(12) 0.0338(8) Uani 1 1 d . . .
C6 C 0.84877(15) 0.2719(5) 0.48577(13) 0.0448(10) Uani 1 1 d . . .
H6 H 0.8505 0.2426 0.5152 0.054 Uiso 1 1 calc R . .
C7 C 0.80343(15) 0.2867(5) 0.45517(13) 0.0436(10) Uani 1 1 d . . .
H7 H 0.7747 0.2687 0.4639 0.052 Uiso 1 1 calc R . .
C8 C 0.79836(13) 0.3294(4) 0.40957(12) 0.0324(8) Uani 1 1 d . . .
C9 C 0.75331(13) 0.3489(4) 0.37449(12) 0.0346(9) Uani 1 1 d . . .
H9 H 0.7227 0.3353 0.3804 0.042 Uiso 1 1 calc R . .
C10 C 0.75373(12) 0.3874(4) 0.33208(12) 0.0298(8) Uani 1 1 d . . .
C11 C 0.70918(12) 0.4200(5) 0.29199(12) 0.0365(9) Uani 1 1 d . . .
H11A H 0.7018 0.5334 0.2905 0.044 Uiso 1 1 calc R . .
H11B H 0.6801 0.3641 0.2956 0.044 Uiso 1 1 calc R . .
C12 C 0.71798(12) 0.3678(5) 0.24840(12) 0.0344(9) Uani 1 1 d . . .
H12A H 0.6907 0.4077 0.2232 0.041 Uiso 1 1 calc R . .
H12B H 0.7170 0.2522 0.2469 0.041 Uiso 1 1 calc R . .
C13 C 0.76745(12) 0.4245(4) 0.24298(12) 0.0279(8) Uani 1 1 d . . .
C14 C 0.77527(12) 0.4442(4) 0.20106(12) 0.0311(8) Uani 1 1 d . . .
C15 C 0.82325(12) 0.4957(4) 0.19974(11) 0.0277(8) Uani 1 1 d . . .
C16 C 0.83124(13) 0.5200(4) 0.15726(11) 0.0310(8) Uani 1 1 d . . .
C17 C 0.87786(14) 0.5789(4) 0.15468(12) 0.0326(8) Uani 1 1 d . . .
C18 C 0.91599(13) 0.6119(4) 0.19558(12) 0.0337(9) Uani 1 1 d . . .
H18 H 0.9462 0.6564 0.1945 0.040 Uiso 1 1 calc R . .
C19 C 0.90959(12) 0.5808(4) 0.23563(12) 0.0286(8) Uani 1 1 d . . .
H19 H 0.9363 0.5995 0.2616 0.034 Uiso 1 1 calc R . .
C20 C 0.86339(12) 0.5199(4) 0.24044(11) 0.0245(7) Uani 1 1 d . . .
C21 C 0.85752(12) 0.4850(4) 0.28280(11) 0.0239(7) Uani 1 1 d . . .
C22 C 0.80767(12) 0.4434(4) 0.28147(11) 0.0247(7) Uani 1 1 d . . .
C23 C 0.80042(12) 0.4064(4) 0.32417(11) 0.0252(8) Uani 1 1 d . . .
N24 N 0.84331(9) 0.3927(3) 0.35721(9) 0.0238(6) Uani 1 1 d . . .
C25 C 0.84291(12) 0.3538(4) 0.39904(11) 0.0258(8) Uani 1 1 d . . .
C26 C 0.89066(12) 0.3411(4) 0.43112(11) 0.0259(8) Uani 1 1 d . . .
C27 C 0.73757(14) 0.4125(5) 0.15924(13) 0.0431(10) Uani 1 1 d . . .
H27 H 0.7059 0.3783 0.1597 0.052 Uiso 1 1 calc R . .
C28 C 0.74607(15) 0.4300(5) 0.11974(13) 0.0479(11) Uani 1 1 d . . .
H28 H 0.7206 0.4055 0.0933 0.057 Uiso 1 1 calc R . .
C29 C 0.79295(15) 0.4848(5) 0.11668(12) 0.0387(9) Uani 1 1 d . . .
C30 C 0.80218(17) 0.5066(5) 0.07581(13) 0.0497(11) Uani 1 1 d . . .
H30 H 0.7771 0.4817 0.0491 0.060 Uiso 1 1 calc R . .
C31 C 0.84712(18) 0.5636(5) 0.07376(13) 0.0509(11) Uani 1 1 d . . .
H31 H 0.8525 0.5777 0.0458 0.061 Uiso 1 1 calc R . .
C32 C 0.88471(16) 0.6006(5) 0.11257(13) 0.0426(10) Uani 1 1 d . . .
H32 H 0.9152 0.6408 0.1106 0.051 Uiso 1 1 calc R . .
N33 N 0.92689(9) 0.2412(3) 0.31947(9) 0.0239(6) Uani 1 1 d . . .
C34 C 0.89960(12) 0.1089(4) 0.30743(11) 0.0288(8) Uani 1 1 d . . .
H34 H 0.8684 0.1035 0.3127 0.035 Uiso 1 1 calc R . .
C35 C 0.91500(13) -0.0189(4) 0.28777(12) 0.0323(8) Uani 1 1 d . . .
H35 H 0.8944 -0.1082 0.2794 0.039 Uiso 1 1 calc R . .
C36 C 0.96105(13) -0.0139(4) 0.28058(12) 0.0335(8) Uani 1 1 d . . .
H36 H 0.9726 -0.1007 0.2678 0.040 Uiso 1 1 calc R . .
C37 C 0.98988(13) 0.1197(4) 0.29238(11) 0.0325(8) Uani 1 1 d . . .
H37 H 1.0214 0.1248 0.2877 0.039 Uiso 1 1 calc R . .
C38 C 0.97228(12) 0.2467(4) 0.31115(11) 0.0260(8) Uani 1 1 d . . .
N39 N 0.97315(9) 0.5039(3) 0.33973(8) 0.0220(6) Uani 1 1 d . . .
C40 C 0.99905(12) 0.3970(4) 0.32305(11) 0.0256(8) Uani 1 1 d . . .
C41 C 1.04446(12) 0.4372(4) 0.31744(12) 0.0330(9) Uani 1 1 d . . .
H41 H 1.0625 0.3632 0.3062 0.040 Uiso 1 1 calc R . .
C42 C 1.06289(13) 0.5884(5) 0.32872(13) 0.0377(9) Uani 1 1 d . . .
H42 H 1.0928 0.6191 0.3235 0.045 Uiso 1 1 calc R . .
C43 C 1.03752(12) 0.6942(4) 0.34756(12) 0.0338(9) Uani 1 1 d . . .
H43 H 1.0506 0.7956 0.3561 0.041 Uiso 1 1 calc R . .
C44 C 0.99273(12) 0.6497(4) 0.35377(11) 0.0260(8) Uani 1 1 d . . .
N45 N 0.91626(9) 0.6725(3) 0.37202(9) 0.0247(6) Uani 1 1 d . . .
C46 C 0.96098(12) 0.7418(4) 0.37397(11) 0.0267(8) Uani 1 1 d . . .
C47 C 0.97521(14) 0.8850(4) 0.39591(12) 0.0339(9) Uani 1 1 d . . .
H47 H 1.0056 0.9324 0.3963 0.041 Uiso 1 1 calc R . .
C48 C 0.94455(14) 0.9570(4) 0.41711(13) 0.0398(9) Uani 1 1 d . . .
H48 H 0.9543 1.0520 0.4329 0.048 Uiso 1 1 calc R . .
C49 C 0.89942(14) 0.8880(4) 0.41480(13) 0.0399(9) Uani 1 1 d . . .
H49 H 0.8778 0.9359 0.4287 0.048 Uiso 1 1 calc R . .
C50 C 0.88656(13) 0.7483(4) 0.39195(12) 0.0312(8) Uani 1 1 d . . .
H50 H 0.8554 0.7033 0.3901 0.037 Uiso 1 1 calc R . .
N51 N 0.68142(10) 0.2051(3) 0.66375(9) 0.0255(6) Uani 1 1 d . . .
C52 C 0.72509(13) 0.1969(4) 0.69569(11) 0.0319(8) Uani 1 1 d . . .
H52 H 0.7537 0.2331 0.6891 0.038 Uiso 1 1 calc R . .
C53 C 0.73047(14) 0.1374(5) 0.73834(12) 0.0399(9) Uani 1 1 d . . .
H53 H 0.7622 0.1328 0.7596 0.048 Uiso 1 1 calc R . .
C54 C 0.68930(15) 0.0853(5) 0.74923(13) 0.0419(10) Uani 1 1 d . . .
H54 H 0.6927 0.0453 0.7780 0.050 Uiso 1 1 calc R . .
C55 C 0.64232(14) 0.0923(4) 0.71725(12) 0.0353(9) Uani 1 1 d . . .
C56 C 0.59667(15) 0.0396(5) 0.72336(13) 0.0444(10) Uani 1 1 d . . .
H56 H 0.5973 -0.0038 0.7512 0.053 Uiso 1 1 calc R . .
C57 C 0.55255(16) 0.0493(5) 0.69094(14) 0.0472(11) Uani 1 1 d . . .
H57 H 0.5234 0.0148 0.6969 0.057 Uiso 1 1 calc R . .
C58 C 0.54925(13) 0.1117(5) 0.64709(13) 0.0371(9) Uani 1 1 d . . .
C59 C 0.50562(13) 0.1252(5) 0.61026(14) 0.0416(10) Uani 1 1 d . . .
H59 H 0.4747 0.0950 0.6135 0.050 Uiso 1 1 calc R . .
C60 C 0.50775(13) 0.1816(4) 0.56983(13) 0.0351(9) Uani 1 1 d . . .
C61 C 0.46379(14) 0.2061(6) 0.52913(14) 0.0542(12) Uani 1 1 d . . .
H61A H 0.4416 0.1150 0.5263 0.065 Uiso 1 1 calc R . .
H61B H 0.4455 0.2991 0.5344 0.065 Uiso 1 1 calc R . .
C62 C 0.47393(14) 0.2280(6) 0.48580(15) 0.0563(12) Uani 1 1 d . . .
H62A H 0.4484 0.2997 0.4676 0.068 Uiso 1 1 calc R . .
H62B H 0.4691 0.1257 0.4705 0.068 Uiso 1 1 calc R . .
C63 C 0.52432(12) 0.2910(4) 0.48570(12) 0.0331(8) Uani 1 1 d . . .
C64 C 0.53304(13) 0.3500(4) 0.44718(12) 0.0368(9) Uani 1 1 d . . .
C65 C 0.58194(13) 0.4064(4) 0.44959(12) 0.0324(8) Uani 1 1 d . . .
C66 C 0.59006(14) 0.4787(4) 0.41126(12) 0.0348(9) Uani 1 1 d . . .
C67 C 0.63798(15) 0.5352(4) 0.41252(12) 0.0378(9) Uani 1 1 d . . .
C68 C 0.67806(14) 0.5120(4) 0.45272(12) 0.0363(9) Uani 1 1 d . . .
H68 H 0.7104 0.5442 0.4538 0.044 Uiso 1 1 calc R . .
C69 C 0.67051(13) 0.4447(4) 0.48926(12) 0.0318(8) Uani 1 1 d . . .
H69 H 0.6980 0.4313 0.5150 0.038 Uiso 1 1 calc R . .
C70 C 0.62227(12) 0.3926(4) 0.49069(11) 0.0269(8) Uani 1 1 d . . .
C71 C 0.61433(12) 0.3326(4) 0.53023(11) 0.0264(8) Uani 1 1 d . . .
C72 C 0.56377(12) 0.2871(4) 0.52565(11) 0.0274(8) Uani 1 1 d . . .
C73 C 0.55462(12) 0.2270(4) 0.56561(12) 0.0280(8) Uani 1 1 d . . .
N74 N 0.59604(10) 0.2187(3) 0.60075(9) 0.0262(6) Uani 1 1 d . . .
C75 C 0.59389(12) 0.1618(4) 0.64060(11) 0.0289(8) Uani 1 1 d . . .
C76 C 0.64036(12) 0.1539(4) 0.67507(11) 0.0279(8) Uani 1 1 d . . .
C77 C 0.49520(15) 0.3581(6) 0.40454(14) 0.0550(12) Uani 1 1 d . . .
H77 H 0.4639 0.3126 0.4016 0.066 Uiso 1 1 calc R . .
C78 C 0.50285(16) 0.4283(6) 0.36862(15) 0.0594(13) Uani 1 1 d . . .
H78 H 0.4766 0.4334 0.3416 0.071 Uiso 1 1 calc R . .
C79 C 0.54990(15) 0.4949(5) 0.37071(13) 0.0448(10) Uani 1 1 d . . .
C80 C 0.55834(18) 0.5738(6) 0.33441(14) 0.0568(12) Uani 1 1 d . . .
H80 H 0.5317 0.5884 0.3081 0.068 Uiso 1 1 calc R . .
C81 C 0.60482(19) 0.6307(6) 0.33643(14) 0.0581(12) Uani 1 1 d . . .
H81 H 0.6096 0.6831 0.3116 0.070 Uiso 1 1 calc R . .
C82 C 0.64450(17) 0.6112(5) 0.37490(13) 0.0479(11) Uani 1 1 d . . .
H82 H 0.6762 0.6494 0.3758 0.058 Uiso 1 1 calc R . .
N83 N 0.68219(10) 0.0777(3) 0.56943(9) 0.0257(6) Uani 1 1 d . . .
C84 C 0.65385(13) -0.0512(4) 0.55404(11) 0.0303(8) Uani 1 1 d . . .
H84 H 0.6209 -0.0528 0.5555 0.036 Uiso 1 1 calc R . .
C85 C 0.67105(14) -0.1798(4) 0.53643(12) 0.0351(9) Uani 1 1 d . . .
H85 H 0.6499 -0.2663 0.5255 0.042 Uiso 1 1 calc R . .
C86 C 0.71953(14) -0.1810(4) 0.53490(12) 0.0388(9) Uani 1 1 d . . .
H86 H 0.7320 -0.2688 0.5233 0.047 Uiso 1 1 calc R . .
C87 C 0.74935(14) -0.0523(4) 0.55052(12) 0.0344(9) Uani 1 1 d . . .
H87 H 0.7826 -0.0519 0.5500 0.041 Uiso 1 1 calc R . .
C88 C 0.73027(12) 0.0776(4) 0.56710(11) 0.0273(8) Uani 1 1 d . . .
N89 N 0.72950(9) 0.3368(3) 0.59343(9) 0.0246(6) Uani 1 1 d . . .
C90 C 0.75781(12) 0.2242(4) 0.58169(11) 0.0275(8) Uani 1 1 d . . .
C91 C 0.80639(13) 0.2585(5) 0.58291(12) 0.0358(9) Uani 1 1 d . . .
H91 H 0.8265 0.1802 0.5759 0.043 Uiso 1 1 calc R . .
C92 C 0.82487(13) 0.4083(5) 0.59451(13) 0.0425(10) Uani 1 1 d . . .
H92 H 0.8569 0.4346 0.5931 0.051 Uiso 1 1 calc R . .
C93 C 0.79670(13) 0.5201(5) 0.60816(12) 0.0365(9) Uani 1 1 d . . .
H93 H 0.8096 0.6215 0.6169 0.044 Uiso 1 1 calc R . .
C94 C 0.74910(12) 0.4806(4) 0.60877(11) 0.0272(8) Uani 1 1 d . . .
N95 N 0.66886(10) 0.5098(3) 0.61929(9) 0.0258(6) Uani 1 1 d . . .
C96 C 0.71460(12) 0.5778(4) 0.62429(11) 0.0278(8) Uani 1 1 d . . .
C97 C 0.72697(14) 0.7236(4) 0.64510(12) 0.0347(9) Uani 1 1 d . . .
H97 H 0.7584 0.7691 0.6482 0.042 Uiso 1 1 calc R . .
C98 C 0.69279(15) 0.8004(4) 0.66103(13) 0.0412(10) Uani 1 1 d . . .
H98 H 0.7007 0.8990 0.6752 0.049 Uiso 1 1 calc R . .
C99 C 0.64654(15) 0.7322(4) 0.65625(13) 0.0421(10) Uani 1 1 d . . .
H99 H 0.6228 0.7834 0.6671 0.050 Uiso 1 1 calc R . .
C100 C 0.63632(13) 0.5880(4) 0.63525(12) 0.0336(9) Uani 1 1 d . . .
H100 H 0.6050 0.5420 0.6319 0.040 Uiso 1 1 calc R . .
P1 P 0.89494(8) 0.8386(3) 0.54884(8) 0.0476(9) Uani 0.60 1 d PG A 1
F1 F 0.93267(11) 0.9128(4) 0.52534(12) 0.0484(11) Uani 0.60 1 d PG A 1
F2 F 0.85722(13) 0.7644(5) 0.57234(15) 0.0949(19) Uani 0.60 1 d PG A 1
F3 F 0.89007(16) 1.0056(4) 0.57041(13) 0.0722(17) Uani 0.60 1 d PG A 1
F4 F 0.89982(12) 0.6716(3) 0.52727(15) 0.0828(18) Uani 0.60 1 d PG A 1
F5 F 0.84944(10) 0.8822(4) 0.50617(11) 0.0742(15) Uani 0.60 1 d PG A 1
F6 F 0.94045(12) 0.7950(6) 0.59152(10) 0.0759(18) Uani 0.60 1 d PG A 1
P1' P 0.8793(3) 0.7805(9) 0.5355(3) 0.064(3) Uiso 0.16 1 d PG B 2
F1' F 0.9293(4) 0.8777(16) 0.5417(5) 0.087(3) Uiso 0.16 1 d PG B 2
F2' F 0.8293(4) 0.6833(15) 0.5293(5) 0.087(3) Uiso 0.16 1 d PG B 2
F3' F 0.8695(5) 0.8757(17) 0.5758(4) 0.087(3) Uiso 0.16 1 d PG B 2
F4' F 0.8892(5) 0.6853(16) 0.4951(4) 0.087(3) Uiso 0.16 1 d PG B 2
F5' F 0.8490(5) 0.9101(14) 0.5012(4) 0.087(3) Uiso 0.16 1 d PG B 2
F6' F 0.9096(5) 0.6509(15) 0.5697(4) 0.087(3) Uiso 0.16 1 d PG B 2
P1" P 0.8961(3) 0.8132(9) 0.5561(2) 0.052(2) Uiso 0.24 1 d PG C 3
F1" F 0.8697(4) 0.7713(15) 0.5929(3) 0.082(3) Uiso 0.24 1 d PG C 3
F2" F 0.9227(4) 0.8552(13) 0.5192(3) 0.082(3) Uiso 0.24 1 d PG C 3
F3" F 0.9035(4) 0.6302(9) 0.5485(4) 0.082(3) Uiso 0.24 1 d PG C 3
F4" F 0.8888(5) 0.9963(10) 0.5636(4) 0.082(3) Uiso 0.24 1 d PG C 3
F5" F 0.8436(3) 0.8087(13) 0.5183(3) 0.082(3) Uiso 0.24 1 d PG C 3
F6" F 0.9487(3) 0.8178(17) 0.5938(3) 0.082(3) Uiso 0.24 1 d PG C 3
P2 P 0.86829(10) 0.0298(4) 0.71654(10) 0.051(3) Uani 0.50 1 d PG D 1
F7 F 0.88831(18) 0.0635(6) 0.67498(14) 0.0591(16) Uani 0.50 1 d PG D 1
F8 F 0.8483(2) -0.0038(6) 0.75808(16) 0.085(2) Uani 0.50 1 d PG D 1
F9 F 0.81590(12) -0.0225(6) 0.68323(19) 0.0671(18) Uani 0.50 1 d PG D 1
F10 F 0.92068(13) 0.0822(9) 0.74983(16) 0.102(3) Uani 0.50 1 d PG D 1
F11 F 0.8876(2) -0.1474(5) 0.71849(19) 0.0748(14) Uani 0.50 1 d PG D 1
F12 F 0.84900(19) 0.2071(4) 0.71458(18) 0.062(2) Uani 0.50 1 d PG D 1
P2' P 0.8650(3) 0.0108(10) 0.7166(3) 0.060(5) Uiso 0.20 1 d PG E 2
F7' F 0.9029(5) 0.0695(18) 0.6911(5) 0.093(3) Uiso 0.20 1 d PG E 2
F8' F 0.8271(4) -0.0479(17) 0.7421(4) 0.093(3) Uiso 0.20 1 d PG E 2
F9' F 0.9104(4) -0.0192(16) 0.7606(3) 0.093(3) Uiso 0.20 1 d PG E 2
F10' F 0.8196(4) 0.0408(17) 0.6726(4) 0.093(3) Uiso 0.20 1 d PG E 2
F11' F 0.8601(5) 0.1867(11) 0.7326(5) 0.093(3) Uiso 0.20 1 d PG E 2
F12' F 0.8699(5) -0.1651(12) 0.7006(4) 0.093(3) Uiso 0.20 1 d PG E 2
P2" P 0.8711(2) 0.0317(10) 0.7216(2) 0.041(3) Uiso 0.30 1 d PG F 3
F7" F 0.8165(3) -0.0406(15) 0.7038(3) 0.091(3) Uiso 0.30 1 d PG F 3
F8" F 0.9257(3) 0.1039(17) 0.7393(4) 0.091(3) Uiso 0.30 1 d PG F 3
F9" F 0.8940(4) -0.1354(12) 0.7153(4) 0.091(3) Uiso 0.30 1 d PG F 3
F10" F 0.8482(5) 0.1987(11) 0.7278(4) 0.091(3) Uiso 0.30 1 d PG F 3
F11" F 0.8686(4) 0.0782(14) 0.6717(3) 0.091(3) Uiso 0.30 1 d PG F 3
F12" F 0.8736(4) -0.0149(14) 0.7714(2) 0.091(3) Uiso 0.30 1 d PG F 3
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'
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
_geom_angle_publ_flag
N39 Ru1 N24 176.03(11) . . ?
N39 Ru1 N45 79.24(11) . . ?
N24 Ru1 N45 98.11(11) . . ?
N39 Ru1 N33 78.94(10) . . ?
N24 Ru1 N33 103.60(10) . . ?
N45 Ru1 N33 158.13(10) . . ?
N39 Ru1 C21 104.66(11) . . ?
N24 Ru1 C21 78.68(11) . . ?
N45 Ru1 C21 100.92(11) . . ?
N33 Ru1 C21 86.05(11) . . ?
N39 Ru1 N1 100.05(10) . . ?
N24 Ru1 N1 76.68(10) . . ?
N45 Ru1 N1 84.87(10) . . ?
N33 Ru1 N1 97.49(10) . . ?
C21 Ru1 N1 155.25(11) . . ?
N89 Ru2 N74 174.71(11) . . ?
N89 Ru2 N83 79.17(11) . . ?
N74 Ru2 N83 100.25(11) . . ?
N89 Ru2 N95 78.98(11) . . ?
N74 Ru2 N95 101.48(11) . . ?
N83 Ru2 N95 158.15(10) . . ?
N89 Ru2 C71 106.48(12) . . ?
N74 Ru2 C71 78.73(12) . . ?
N83 Ru2 C71 88.64(11) . . ?
N95 Ru2 C71 97.85(11) . . ?
N89 Ru2 N51 97.58(10) . . ?
N74 Ru2 N51 77.23(11) . . ?
N83 Ru2 N51 96.15(10) . . ?
N95 Ru2 N51 86.40(10) . . ?
C71 Ru2 N51 155.95(11) . . ?
C2 N1 C26 116.9(3) . . ?
C2 N1 Ru1 131.3(2) . . ?
C26 N1 Ru1 111.7(2) . . ?
N1 C2 C3 122.7(3) . . ?
C4 C3 C2 120.0(3) . . ?
C3 C4 C5 119.7(3) . . ?
C4 C5 C26 116.8(3) . . ?
C4 C5 C6 125.7(3) . . ?
C26 C5 C6 117.4(3) . . ?
C7 C6 C5 122.9(4) . . ?
C6 C7 C8 121.2(3) . . ?
C25 C8 C9 117.0(3) . . ?
C25 C8 C7 116.2(3) . . ?
C9 C8 C7 126.8(3) . . ?
C10 C9 C8 120.9(3) . . ?
C9 C10 C23 118.3(3) . . ?
C9 C10 C11 127.1(3) . . ?
C23 C10 C11 114.5(3) . . ?
C10 C11 C12 112.0(3) . . ?
C11 C12 C13 114.0(3) . . ?
C22 C13 C14 118.7(3) . . ?
C22 C13 C12 118.0(3) . . ?
C14 C13 C12 123.0(3) . . ?
C13 C14 C15 118.5(3) . . ?
C13 C14 C27 123.2(3) . . ?
C15 C14 C27 118.2(3) . . ?
C16 C15 C14 119.0(3) . . ?
C16 C15 C20 120.1(3) . . ?
C14 C15 C20 120.9(3) . . ?
C29 C16 C15 120.7(3) . . ?
C29 C16 C17 118.8(3) . . ?
C15 C16 C17 120.5(3) . . ?
C32 C17 C18 122.6(4) . . ?
C32 C17 C16 119.2(4) . . ?
C18 C17 C16 118.2(3) . . ?
C19 C18 C17 121.5(3) . . ?
C18 C19 C20 122.9(3) . . ?
C21 C20 C15 121.2(3) . . ?
C21 C20 C19 122.2(3) . . ?
C15 C20 C19 116.6(3) . . ?
C20 C21 C22 114.4(3) . . ?
C20 C21 Ru1 133.1(2) . . ?
C22 C21 Ru1 111.7(2) . . ?
C13 C22 C21 125.9(3) . . ?
C13 C22 C23 118.1(3) . . ?
C21 C22 C23 115.8(3) . . ?
N24 C23 C10 121.5(3) . . ?
N24 C23 C22 112.9(3) . . ?
C10 C23 C22 125.6(3) . . ?
C23 N24 C25 120.1(3) . . ?
C23 N24 Ru1 120.2(2) . . ?
C25 N24 Ru1 119.6(2) . . ?
N24 C25 C8 122.1(3) . . ?
N24 C25 C26 114.9(3) . . ?
C8 C25 C26 123.0(3) . . ?
N1 C26 C5 123.9(3) . . ?
N1 C26 C25 116.8(3) . . ?
C5 C26 C25 119.3(3) . . ?
C28 C27 C14 122.2(4) . . ?
C27 C28 C29 121.6(4) . . ?
C30 C29 C16 119.4(4) . . ?
C30 C29 C28 122.4(4) . . ?
C16 C29 C28 118.2(3) . . ?
C31 C30 C29 121.2(4) . . ?
C30 C31 C32 120.6(4) . . ?
C31 C32 C17 120.8(4) . . ?
C34 N33 C38 117.3(3) . . ?
C34 N33 Ru1 128.3(2) . . ?
C38 N33 Ru1 114.3(2) . . ?
N33 C34 C35 123.3(3) . . ?
C34 C35 C36 119.0(3) . . ?
C37 C36 C35 119.2(3) . . ?
C36 C37 C38 119.7(3) . . ?
N33 C38 C37 121.5(3) . . ?
N33 C38 C40 114.5(3) . . ?
C37 C38 C40 124.0(3) . . ?
C40 N39 C44 120.9(3) . . ?
C40 N39 Ru1 119.8(2) . . ?
C44 N39 Ru1 119.2(2) . . ?
N39 C40 C41 120.4(3) . . ?
N39 C40 C38 112.4(3) . . ?
C41 C40 C38 127.1(3) . . ?
C40 C41 C42 118.9(3) . . ?
C43 C42 C41 120.4(3) . . ?
C44 C43 C42 119.4(3) . . ?
N39 C44 C43 119.7(3) . . ?
N39 C44 C46 112.3(3) . . ?
C43 C44 C46 127.9(3) . . ?
C50 N45 C46 117.6(3) . . ?
C50 N45 Ru1 127.8(2) . . ?
C46 N45 Ru1 113.9(2) . . ?
N45 C46 C47 121.2(3) . . ?
N45 C46 C44 115.0(3) . . ?
C47 C46 C44 123.7(3) . . ?
C48 C47 C46 119.6(3) . . ?
C49 C48 C47 119.1(3) . . ?
C50 C49 C48 119.1(4) . . ?
N45 C50 C49 123.3(3) . . ?
C52 N51 C76 116.5(3) . . ?
C52 N51 Ru2 131.5(2) . . ?
C76 N51 Ru2 112.0(2) . . ?
N51 C52 C53 123.3(3) . . ?
C54 C53 C52 119.8(4) . . ?
C53 C54 C55 119.6(4) . . ?
C54 C55 C76 116.7(3) . . ?
C54 C55 C56 125.9(4) . . ?
C76 C55 C56 117.4(3) . . ?
C57 C56 C55 122.8(4) . . ?
C56 C57 C58 121.2(3) . . ?
C75 C58 C59 117.0(3) . . ?
C75 C58 C57 116.4(3) . . ?
C59 C58 C57 126.5(3) . . ?
C60 C59 C58 120.9(3) . . ?
C59 C60 C73 118.7(3) . . ?
C59 C60 C61 125.4(3) . . ?
C73 C60 C61 115.8(3) . . ?
C62 C61 C60 117.3(3) . . ?
C61 C62 C63 119.0(4) . . ?
C64 C63 C72 118.9(3) . . ?
C64 C63 C62 122.4(3) . . ?
C72 C63 C62 118.7(3) . . ?
C63 C64 C65 119.2(3) . . ?
C63 C64 C77 123.2(4) . . ?
C65 C64 C77 117.6(4) . . ?
C66 C65 C64 119.5(3) . . ?
C66 C65 C70 120.3(3) . . ?
C64 C65 C70 120.3(3) . . ?
C67 C66 C65 120.8(3) . . ?
C67 C66 C79 118.8(4) . . ?
C65 C66 C79 120.3(3) . . ?
C82 C67 C66 119.6(4) . . ?
C82 C67 C68 122.4(4) . . ?
C66 C67 C68 118.0(3) . . ?
C69 C68 C67 121.4(3) . . ?
C68 C69 C70 123.0(3) . . ?
C71 C70 C65 121.4(3) . . ?
C71 C70 C69 122.3(3) . . ?
C65 C70 C69 116.3(3) . . ?
C70 C71 C72 114.8(3) . . ?
C70 C71 Ru2 133.3(2) . . ?
C72 C71 Ru2 111.8(2) . . ?
C63 C72 C71 125.2(3) . . ?
C63 C72 C73 118.8(3) . . ?
C71 C72 C73 115.9(3) . . ?
N74 C73 C60 120.8(3) . . ?
N74 C73 C72 113.1(3) . . ?
C60 C73 C72 126.1(3) . . ?
C73 N74 C75 120.3(3) . . ?
C73 N74 Ru2 120.4(2) . . ?
C75 N74 Ru2 119.2(2) . . ?
N74 C75 C58 122.2(3) . . ?
N74 C75 C76 115.4(3) . . ?
C58 C75 C76 122.4(3) . . ?
N51 C76 C55 124.1(3) . . ?
N51 C76 C75 116.1(3) . . ?
C55 C76 C75 119.8(3) . . ?
C78 C77 C64 122.5(4) . . ?
C77 C78 C79 121.2(4) . . ?
C80 C79 C78 122.3(4) . . ?
C80 C79 C66 119.0(4) . . ?
C78 C79 C66 118.6(4) . . ?
C81 C80 C79 121.4(4) . . ?
C80 C81 C82 120.3(4) . . ?
C81 C82 C67 120.8(4) . . ?
C84 N83 C88 117.7(3) . . ?
C84 N83 Ru2 128.2(2) . . ?
C88 N83 Ru2 114.1(2) . . ?
N83 C84 C85 122.8(3) . . ?
C84 C85 C86 119.4(3) . . ?
C87 C86 C85 119.1(3) . . ?
C86 C87 C88 119.9(3) . . ?
N83 C88 C87 121.0(3) . . ?
N83 C88 C90 114.8(3) . . ?
C87 C88 C90 124.1(3) . . ?
C90 N89 C94 120.9(3) . . ?
C90 N89 Ru2 119.3(2) . . ?
C94 N89 Ru2 119.5(2) . . ?
N89 C90 C91 119.9(3) . . ?
N89 C90 C88 112.4(3) . . ?
C91 C90 C88 127.7(3) . . ?
C92 C91 C90 119.4(3) . . ?
C91 C92 C93 120.4(3) . . ?
C92 C93 C94 119.0(4) . . ?
N89 C94 C93 120.0(3) . . ?
N89 C94 C96 112.4(3) . . ?
C93 C94 C96 127.5(3) . . ?
C100 N95 C96 118.0(3) . . ?
C100 N95 Ru2 127.2(2) . . ?
C96 N95 Ru2 114.3(2) . . ?
N95 C96 C97 121.3(3) . . ?
N95 C96 C94 114.7(3) . . ?
C97 C96 C94 123.9(3) . . ?
C98 C97 C96 119.1(4) . . ?
C97 C98 C99 120.0(4) . . ?
C100 C99 C98 118.3(4) . . ?
N95 C100 C99 123.3(4) . . ?
F5 P1 F4 90.0 . . ?
F5 P1 F2 90.0 . . ?
F4 P1 F2 90.0 . . ?
F5 P1 F3 90.0 . . ?
F4 P1 F3 180.0 . . ?
F2 P1 F3 90.0 . . ?
F5 P1 F6 180.00(17) . . ?
F4 P1 F6 90.0 . . ?
F2 P1 F6 90.0 . . ?
F3 P1 F6 90.0 . . ?
F5 P1 F1 90.0 . . ?
F4 P1 F1 90.0 . . ?
F2 P1 F1 180.0(2) . . ?
F3 P1 F1 90.0 . . ?
F6 P1 F1 90.0 . . ?
F3' P1' F1' 90.0 . . ?
F3' P1' F2' 90.0 . . ?
F1' P1' F2' 180.0 . . ?
F3' P1' F4' 180.0(4) . . ?
F1' P1' F4' 90.0 . . ?
F2' P1' F4' 90.0 . . ?
F3' P1' F6' 90.0 . . ?
F1' P1' F6' 90.0 . . ?
F2' P1' F6' 90.0 . . ?
F4' P1' F6' 90.0 . . ?
F3' P1' F5' 90.0 . . ?
F1' P1' F5' 90.0 . . ?
F2' P1' F5' 90.0 . . ?
F4' P1' F5' 90.0 . . ?
F6' P1' F5' 180.0 . . ?
F1" P1" F5" 90.0 . . ?
F1" P1" F6" 90.0 . . ?
F5" P1" F6" 180.0 . . ?
F1" P1" F4" 90.0 . . ?
F5" P1" F4" 90.0 . . ?
F6" P1" F4" 90.0 . . ?
F1" P1" F3" 90.0 . . ?
F5" P1" F3" 90.0 . . ?
F6" P1" F3" 90.0 . . ?
F4" P1" F3" 180.0 . . ?
F1" P1" F2" 180.0 . . ?
F5" P1" F2" 90.0 . . ?
F6" P1" F2" 90.0 . . ?
F4" P1" F2" 90.0 . . ?
F3" P1" F2" 90.0 . . ?
F10 P2 F8 90.0 . . ?
F10 P2 F11 90.0 . . ?
F8 P2 F11 90.0 . . ?
F10 P2 F9 180.0 . . ?
F8 P2 F9 90.0 . . ?
F11 P2 F9 90.0 . . ?
F10 P2 F12 90.0 . . ?
F8 P2 F12 90.0 . . ?
F11 P2 F12 180.0 . . ?
F9 P2 F12 90.0 . . ?
F10 P2 F7 90.0 . . ?
F8 P2 F7 180.0 . . ?
F11 P2 F7 90.0 . . ?
F9 P2 F7 90.0 . . ?
F12 P2 F7 90.0 . . ?
F8' P2' F9' 90.0 . . ?
F8' P2' F11' 90.0 . . ?
F9' P2' F11' 90.0 . . ?
F8' P2' F12' 90.0 . . ?
F9' P2' F12' 90.0 . . ?
F11' P2' F12' 180.0 . . ?
F8' P2' F10' 90.0 . . ?
F9' P2' F10' 180.0 . . ?
F11' P2' F10' 90.0 . . ?
F12' P2' F10' 90.0 . . ?
F8' P2' F7' 180.0(10) . . ?
F9' P2' F7' 90.0 . . ?
F11' P2' F7' 90.0 . . ?
F12' P2' F7' 90.0 . . ?
F10' P2' F7' 90.0 . . ?
F10" P2" F12" 90.0 . . ?
F10" P2" F8" 90.0 . . ?
F12" P2" F8" 90.0 . . ?
F10" P2" F7" 90.0 . . ?
F12" P2" F7" 90.0 . . ?
F8" P2" F7" 180.0 . . ?
F10" P2" F11" 90.0 . . ?
F12" P2" F11" 180.0 . . ?
F8" P2" F11" 90.0 . . ?
F7" P2" F11" 90.0 . . ?
F10" P2" F9" 180.0 . . ?
F12" P2" F9" 90.0 . . ?
F8" P2" F9" 90.0 . . ?
F7" P2" F9" 90.0 . . ?
F11" P2" F9" 90.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N39 1.959(3) . ?
Ru1 N24 2.007(3) . ?
Ru1 N45 2.064(3) . ?
Ru1 N33 2.063(3) . ?
Ru1 C21 2.091(3) . ?
Ru1 N1 2.188(3) . ?
Ru2 N89 1.959(3) . ?
Ru2 N74 2.000(3) . ?
Ru2 N83 2.053(3) . ?
Ru2 N95 2.059(3) . ?
Ru2 C71 2.092(3) . ?
Ru2 N51 2.177(3) . ?
N1 C2 1.334(4) . ?
N1 C26 1.371(4) . ?
C2 C3 1.401(5) . ?
C3 C4 1.364(5) . ?
C4 C5 1.399(5) . ?
C5 C26 1.405(5) . ?
C5 C6 1.430(5) . ?
C6 C7 1.350(5) . ?
C7 C8 1.437(5) . ?
C8 C25 1.403(5) . ?
C8 C9 1.414(5) . ?
C9 C10 1.370(5) . ?
C10 C23 1.416(4) . ?
C10 C11 1.508(5) . ?
C11 C12 1.523(5) . ?
C12 C13 1.528(4) . ?
C13 C22 1.391(5) . ?
C13 C14 1.404(5) . ?
C14 C15 1.430(5) . ?
C14 C27 1.440(5) . ?
C15 C16 1.428(5) . ?
C15 C20 1.440(5) . ?
C16 C29 1.427(5) . ?
C16 C17 1.427(5) . ?
C17 C32 1.400(5) . ?
C17 C18 1.428(5) . ?
C18 C19 1.345(5) . ?
C19 C20 1.447(5) . ?
C20 C21 1.415(4) . ?
C21 C22 1.433(4) . ?
C22 C23 1.445(5) . ?
C23 N24 1.336(4) . ?
N24 C25 1.353(4) . ?
C25 C26 1.418(5) . ?
C27 C28 1.336(5) . ?
C28 C29 1.427(6) . ?
C29 C30 1.392(5) . ?
C30 C31 1.372(6) . ?
C31 C32 1.385(6) . ?
N33 C34 1.345(4) . ?
N33 C38 1.378(4) . ?
C34 C35 1.377(5) . ?
C35 C36 1.379(5) . ?
C36 C37 1.375(5) . ?
C37 C38 1.386(5) . ?
C38 C40 1.467(5) . ?
N39 C40 1.360(4) . ?
N39 C44 1.369(4) . ?
C40 C41 1.382(5) . ?
C41 C42 1.386(5) . ?
C42 C43 1.382(5) . ?
C43 C44 1.383(5) . ?
C44 C46 1.464(5) . ?
N45 C50 1.346(4) . ?
N45 C46 1.372(4) . ?
C46 C47 1.391(5) . ?
C47 C48 1.378(5) . ?
C48 C49 1.379(5) . ?
C49 C50 1.373(5) . ?
N51 C52 1.331(4) . ?
N51 C76 1.375(4) . ?
C52 C53 1.391(5) . ?
C53 C54 1.374(5) . ?
C54 C55 1.398(5) . ?
C55 C76 1.405(5) . ?
C55 C56 1.425(5) . ?
C56 C57 1.348(6) . ?
C57 C58 1.447(5) . ?
C58 C75 1.396(5) . ?
C58 C59 1.413(5) . ?
C59 C60 1.370(5) . ?
C60 C73 1.416(5) . ?
C60 C61 1.498(5) . ?
C61 C62 1.479(6) . ?
C62 C63 1.514(5) . ?
C63 C64 1.393(5) . ?
C63 C72 1.400(5) . ?
C64 C65 1.436(5) . ?
C64 C77 1.436(5) . ?
C65 C66 1.425(5) . ?
C65 C70 1.441(5) . ?
C66 C67 1.419(5) . ?
C66 C79 1.429(5) . ?
C67 C82 1.401(5) . ?
C67 C68 1.427(5) . ?
C68 C69 1.350(5) . ?
C69 C70 1.439(5) . ?
C70 C71 1.416(5) . ?
C71 C72 1.437(4) . ?
C72 C73 1.443(5) . ?
C73 N74 1.341(4) . ?
N74 C75 1.355(4) . ?
C75 C76 1.423(5) . ?
C77 C78 1.345(6) . ?
C78 C79 1.421(6) . ?
C79 C80 1.398(6) . ?
C80 C81 1.376(6) . ?
C81 C82 1.383(6) . ?
N83 C84 1.351(4) . ?
N83 C88 1.375(4) . ?
C84 C85 1.372(5) . ?
C85 C86 1.378(5) . ?
C86 C87 1.372(5) . ?
C87 C88 1.390(5) . ?
C88 C90 1.461(5) . ?
N89 C90 1.360(4) . ?
N89 C94 1.363(4) . ?
C90 C91 1.385(5) . ?
C91 C92 1.377(5) . ?
C92 C93 1.381(5) . ?
C93 C94 1.385(5) . ?
C94 C96 1.462(5) . ?
N95 C100 1.341(4) . ?
N95 C96 1.374(4) . ?
C96 C97 1.390(5) . ?
C97 C98 1.372(5) . ?
C98 C99 1.389(5) . ?
C99 C100 1.375(5) . ?
P1 F5 1.5898 . ?
P1 F4 1.5900 . ?
P1 F2 1.5900 . ?
P1 F3 1.5900 . ?
P1 F6 1.5901 . ?
P1 F1 1.5902 . ?
P1' F3' 1.5899 . ?
P1' F1' 1.5899 . ?
P1' F2' 1.5900 . ?
P1' F4' 1.5900 . ?
P1' F6' 1.5900 . ?
P1' F5' 1.5901 . ?
P1" F1" 1.5897 . ?
P1" F5" 1.5899 . ?
P1" F6" 1.5899 . ?
P1" F4" 1.5899 . ?
P1" F3" 1.5901 . ?
P1" F2" 1.5904 . ?
P2 F10 1.5898 . ?
P2 F8 1.5899 . ?
P2 F11 1.5899 . ?
P2 F9 1.5901 . ?
P2 F12 1.5901 . ?
P2 F7 1.5901 . ?
P2' F8' 1.5898 . ?
P2' F9' 1.5899 . ?
P2' F11' 1.5899 . ?
P2' F12' 1.5900 . ?
P2' F10' 1.5901 . ?
P2' F7' 1.5901 . ?
P2" F10" 1.5898 . ?
P2" F12" 1.5898 . ?
P2" F8" 1.5900 . ?
P2" F7" 1.5901 . ?
P2" F11" 1.5901 . ?
P2" F9" 1.5902 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N39 Ru1 N1 C2 -3.1(3) . . . . ?
N24 Ru1 N1 C2 179.2(3) . . . . ?
N45 Ru1 N1 C2 -81.2(3) . . . . ?
N33 Ru1 N1 C2 77.0(3) . . . . ?
C21 Ru1 N1 C2 173.8(3) . . . . ?
N39 Ru1 N1 C26 173.1(2) . . . . ?
N24 Ru1 N1 C26 -4.6(2) . . . . ?
N45 Ru1 N1 C26 95.0(2) . . . . ?
N33 Ru1 N1 C26 -106.9(2) . . . . ?
C21 Ru1 N1 C26 -10.0(4) . . . . ?
C26 N1 C2 C3 1.8(5) . . . . ?
Ru1 N1 C2 C3 177.7(2) . . . . ?
N1 C2 C3 C4 -2.1(5) . . . . ?
C2 C3 C4 C5 0.6(6) . . . . ?
C3 C4 C5 C26 1.1(5) . . . . ?
C3 C4 C5 C6 -179.9(4) . . . . ?
C4 C5 C6 C7 -179.4(4) . . . . ?
C26 C5 C6 C7 -0.4(6) . . . . ?
C5 C6 C7 C8 0.7(7) . . . . ?
C6 C7 C8 C25 0.2(6) . . . . ?
C6 C7 C8 C9 -179.9(4) . . . . ?
C25 C8 C9 C10 1.1(5) . . . . ?
C7 C8 C9 C10 -178.9(4) . . . . ?
C8 C9 C10 C23 0.3(5) . . . . ?
C8 C9 C10 C11 -176.8(3) . . . . ?
C9 C10 C11 C12 -147.5(4) . . . . ?
C23 C10 C11 C12 35.3(4) . . . . ?
C10 C11 C12 C13 -48.7(4) . . . . ?
C11 C12 C13 C22 31.0(4) . . . . ?
C11 C12 C13 C14 -155.0(3) . . . . ?
C22 C13 C14 C15 -5.2(5) . . . . ?
C12 C13 C14 C15 -179.1(3) . . . . ?
C22 C13 C14 C27 173.7(3) . . . . ?
C12 C13 C14 C27 -0.2(5) . . . . ?
C13 C14 C15 C16 -178.4(3) . . . . ?
C27 C14 C15 C16 2.6(5) . . . . ?
C13 C14 C15 C20 2.8(5) . . . . ?
C27 C14 C15 C20 -176.1(3) . . . . ?
C14 C15 C16 C29 -3.6(5) . . . . ?
C20 C15 C16 C29 175.2(3) . . . . ?
C14 C15 C16 C17 176.9(3) . . . . ?
C20 C15 C16 C17 -4.4(5) . . . . ?
C29 C16 C17 C32 0.1(5) . . . . ?
C15 C16 C17 C32 179.6(3) . . . . ?
C29 C16 C17 C18 -179.4(3) . . . . ?
C15 C16 C17 C18 0.2(5) . . . . ?
C32 C17 C18 C19 -175.8(3) . . . . ?
C16 C17 C18 C19 3.6(5) . . . . ?
C17 C18 C19 C20 -3.2(5) . . . . ?
C16 C15 C20 C21 -175.1(3) . . . . ?
C14 C15 C20 C21 3.6(5) . . . . ?
C16 C15 C20 C19 4.7(5) . . . . ?
C14 C15 C20 C19 -176.5(3) . . . . ?
C18 C19 C20 C21 178.8(3) . . . . ?
C18 C19 C20 C15 -1.0(5) . . . . ?
C15 C20 C21 C22 -7.1(4) . . . . ?
C19 C20 C21 C22 173.1(3) . . . . ?
C15 C20 C21 Ru1 161.5(3) . . . . ?
C19 C20 C21 Ru1 -18.4(5) . . . . ?
N39 Ru1 C21 C20 9.5(3) . . . . ?
N24 Ru1 C21 C20 -172.7(3) . . . . ?
N45 Ru1 C21 C20 91.1(3) . . . . ?
N33 Ru1 C21 C20 -68.0(3) . . . . ?
N1 Ru1 C21 C20 -167.3(3) . . . . ?
N39 Ru1 C21 C22 178.2(2) . . . . ?
N24 Ru1 C21 C22 -4.0(2) . . . . ?
N45 Ru1 C21 C22 -100.2(2) . . . . ?
N33 Ru1 C21 C22 100.8(2) . . . . ?
N1 Ru1 C21 C22 1.4(4) . . . . ?
C14 C13 C22 C21 1.4(5) . . . . ?
C12 C13 C22 C21 175.6(3) . . . . ?
C14 C13 C22 C23 -173.5(3) . . . . ?
C12 C13 C22 C23 0.7(5) . . . . ?
C20 C21 C22 C13 4.8(5) . . . . ?
Ru1 C21 C22 C13 -166.2(3) . . . . ?
C20 C21 C22 C23 179.7(3) . . . . ?
Ru1 C21 C22 C23 8.7(4) . . . . ?
C9 C10 C23 N24 -2.3(5) . . . . ?
C11 C10 C23 N24 175.2(3) . . . . ?
C9 C10 C23 C22 178.6(3) . . . . ?
C11 C10 C23 C22 -3.9(5) . . . . ?
C13 C22 C23 N24 165.3(3) . . . . ?
C21 C22 C23 N24 -10.1(4) . . . . ?
C13 C22 C23 C10 -15.5(5) . . . . ?
C21 C22 C23 C10 169.1(3) . . . . ?
C10 C23 N24 C25 2.7(5) . . . . ?
C22 C23 N24 C25 -178.1(3) . . . . ?
C10 C23 N24 Ru1 -172.5(2) . . . . ?
C22 C23 N24 Ru1 6.7(4) . . . . ?
N39 Ru1 N24 C23 145.9(15) . . . . ?
N45 Ru1 N24 C23 98.0(2) . . . . ?
N33 Ru1 N24 C23 -84.7(3) . . . . ?
C21 Ru1 N24 C23 -1.6(2) . . . . ?
N1 Ru1 N24 C23 -179.3(3) . . . . ?
N39 Ru1 N24 C25 -29.3(17) . . . . ?
N45 Ru1 N24 C25 -77.2(2) . . . . ?
N33 Ru1 N24 C25 100.2(2) . . . . ?
C21 Ru1 N24 C25 -176.8(3) . . . . ?
N1 Ru1 N24 C25 5.5(2) . . . . ?
C23 N24 C25 C8 -1.1(5) . . . . ?
Ru1 N24 C25 C8 174.1(3) . . . . ?
C23 N24 C25 C26 179.3(3) . . . . ?
Ru1 N24 C25 C26 -5.5(4) . . . . ?
C9 C8 C25 N24 -0.8(5) . . . . ?
C7 C8 C25 N24 179.2(3) . . . . ?
C9 C8 C25 C26 178.8(3) . . . . ?
C7 C8 C25 C26 -1.2(5) . . . . ?
C2 N1 C26 C5 0.0(5) . . . . ?
Ru1 N1 C26 C5 -176.7(3) . . . . ?
C2 N1 C26 C25 -179.9(3) . . . . ?
Ru1 N1 C26 C25 3.4(4) . . . . ?
C4 C5 C26 N1 -1.4(5) . . . . ?
C6 C5 C26 N1 179.5(3) . . . . ?
C4 C5 C26 C25 178.5(3) . . . . ?
C6 C5 C26 C25 -0.6(5) . . . . ?
N24 C25 C26 N1 1.0(4) . . . . ?
C8 C25 C26 N1 -178.6(3) . . . . ?
N24 C25 C26 C5 -178.9(3) . . . . ?
C8 C25 C26 C5 1.5(5) . . . . ?
C13 C14 C27 C28 -179.1(4) . . . . ?
C15 C14 C27 C28 -0.1(6) . . . . ?
C14 C27 C28 C29 -1.4(7) . . . . ?
C15 C16 C29 C30 -178.7(3) . . . . ?
C17 C16 C29 C30 0.9(5) . . . . ?
C15 C16 C29 C28 2.1(5) . . . . ?
C17 C16 C29 C28 -178.4(3) . . . . ?
C27 C28 C29 C30 -178.8(4) . . . . ?
C27 C28 C29 C16 0.5(6) . . . . ?
C16 C29 C30 C31 -1.1(6) . . . . ?
C28 C29 C30 C31 178.2(4) . . . . ?
C29 C30 C31 C32 0.2(6) . . . . ?
C30 C31 C32 C17 0.7(6) . . . . ?
C18 C17 C32 C31 178.5(4) . . . . ?
C16 C17 C32 C31 -0.9(5) . . . . ?
N39 Ru1 N33 C34 -176.3(3) . . . . ?
N24 Ru1 N33 C34 6.8(3) . . . . ?
N45 Ru1 N33 C34 179.7(3) . . . . ?
C21 Ru1 N33 C34 -70.5(3) . . . . ?
N1 Ru1 N33 C34 84.8(3) . . . . ?
N39 Ru1 N33 C38 0.1(2) . . . . ?
N24 Ru1 N33 C38 -176.8(2) . . . . ?
N45 Ru1 N33 C38 -3.8(4) . . . . ?
C21 Ru1 N33 C38 105.9(2) . . . . ?
N1 Ru1 N33 C38 -98.7(2) . . . . ?
C38 N33 C34 C35 0.4(5) . . . . ?
Ru1 N33 C34 C35 176.7(2) . . . . ?
N33 C34 C35 C36 1.2(5) . . . . ?
C34 C35 C36 C37 -1.3(5) . . . . ?
C35 C36 C37 C38 -0.1(5) . . . . ?
C34 N33 C38 C37 -1.9(5) . . . . ?
Ru1 N33 C38 C37 -178.7(3) . . . . ?
C34 N33 C38 C40 177.2(3) . . . . ?
Ru1 N33 C38 C40 0.3(3) . . . . ?
C36 C37 C38 N33 1.7(5) . . . . ?
C36 C37 C38 C40 -177.2(3) . . . . ?
N24 Ru1 N39 C40 129.5(15) . . . . ?
N45 Ru1 N39 C40 177.9(2) . . . . ?
N33 Ru1 N39 C40 -0.6(2) . . . . ?
C21 Ru1 N39 C40 -83.5(2) . . . . ?
N1 Ru1 N39 C40 95.2(2) . . . . ?
N24 Ru1 N39 C44 -48.0(16) . . . . ?
N45 Ru1 N39 C44 0.4(2) . . . . ?
N33 Ru1 N39 C44 -178.1(2) . . . . ?
C21 Ru1 N39 C44 99.0(2) . . . . ?
N1 Ru1 N39 C44 -82.3(2) . . . . ?
C44 N39 C40 C41 -3.9(5) . . . . ?
Ru1 N39 C40 C41 178.6(2) . . . . ?
C44 N39 C40 C38 178.3(3) . . . . ?
Ru1 N39 C40 C38 0.9(4) . . . . ?
N33 C38 C40 N39 -0.8(4) . . . . ?
C37 C38 C40 N39 178.2(3) . . . . ?
N33 C38 C40 C41 -178.3(3) . . . . ?
C37 C38 C40 C41 0.7(6) . . . . ?
N39 C40 C41 C42 -0.5(5) . . . . ?
C38 C40 C41 C42 176.8(3) . . . . ?
C40 C41 C42 C43 3.5(5) . . . . ?
C41 C42 C43 C44 -2.0(6) . . . . ?
C40 N39 C44 C43 5.4(5) . . . . ?
Ru1 N39 C44 C43 -177.2(2) . . . . ?
C40 N39 C44 C46 -175.2(3) . . . . ?
Ru1 N39 C44 C46 2.2(4) . . . . ?
C42 C43 C44 N39 -2.4(5) . . . . ?
C42 C43 C44 C46 178.3(3) . . . . ?
N39 Ru1 N45 C50 -173.7(3) . . . . ?
N24 Ru1 N45 C50 3.3(3) . . . . ?
N33 Ru1 N45 C50 -169.8(3) . . . . ?
C21 Ru1 N45 C50 83.2(3) . . . . ?
N1 Ru1 N45 C50 -72.5(3) . . . . ?
N39 Ru1 N45 C46 -3.3(2) . . . . ?
N24 Ru1 N45 C46 173.8(2) . . . . ?
N33 Ru1 N45 C46 0.7(4) . . . . ?
C21 Ru1 N45 C46 -106.3(2) . . . . ?
N1 Ru1 N45 C46 98.0(2) . . . . ?
C50 N45 C46 C47 0.2(5) . . . . ?
Ru1 N45 C46 C47 -171.3(2) . . . . ?
C50 N45 C46 C44 176.9(3) . . . . ?
Ru1 N45 C46 C44 5.4(3) . . . . ?
N39 C44 C46 N45 -5.0(4) . . . . ?
C43 C44 C46 N45 174.4(3) . . . . ?
N39 C44 C46 C47 171.6(3) . . . . ?
C43 C44 C46 C47 -9.1(6) . . . . ?
N45 C46 C47 C48 1.7(5) . . . . ?
C44 C46 C47 C48 -174.7(3) . . . . ?
C46 C47 C48 C49 -2.2(5) . . . . ?
C47 C48 C49 C50 0.8(6) . . . . ?
C46 N45 C50 C49 -1.7(5) . . . . ?
Ru1 N45 C50 C49 168.5(3) . . . . ?
C48 C49 C50 N45 1.2(6) . . . . ?
N89 Ru2 N51 C52 0.3(3) . . . . ?
N74 Ru2 N51 C52 179.3(3) . . . . ?
N83 Ru2 N51 C52 80.1(3) . . . . ?
N95 Ru2 N51 C52 -78.1(3) . . . . ?
C71 Ru2 N51 C52 -179.3(3) . . . . ?
N89 Ru2 N51 C76 -178.6(2) . . . . ?
N74 Ru2 N51 C76 0.4(2) . . . . ?
N83 Ru2 N51 C76 -98.7(2) . . . . ?
N95 Ru2 N51 C76 103.0(2) . . . . ?
C71 Ru2 N51 C76 1.8(4) . . . . ?
C76 N51 C52 C53 1.3(5) . . . . ?
Ru2 N51 C52 C53 -177.5(3) . . . . ?
N51 C52 C53 C54 -0.8(6) . . . . ?
C52 C53 C54 C55 0.2(6) . . . . ?
C53 C54 C55 C76 -0.1(5) . . . . ?
C53 C54 C55 C56 178.5(4) . . . . ?
C54 C55 C56 C57 -179.7(4) . . . . ?
C76 C55 C56 C57 -1.1(6) . . . . ?
C55 C56 C57 C58 1.3(6) . . . . ?
C56 C57 C58 C75 -0.5(6) . . . . ?
C56 C57 C58 C59 178.7(4) . . . . ?
C75 C58 C59 C60 1.5(6) . . . . ?
C57 C58 C59 C60 -177.7(4) . . . . ?
C58 C59 C60 C73 -0.3(6) . . . . ?
C58 C59 C60 C61 -177.7(4) . . . . ?
C59 C60 C61 C62 -164.6(4) . . . . ?
C73 C60 C61 C62 17.9(6) . . . . ?
C60 C61 C62 C63 -24.9(7) . . . . ?
C61 C62 C63 C64 -164.4(4) . . . . ?
C61 C62 C63 C72 16.7(6) . . . . ?
C72 C63 C64 C65 -0.6(5) . . . . ?
C62 C63 C64 C65 -179.4(4) . . . . ?
C72 C63 C64 C77 179.6(4) . . . . ?
C62 C63 C64 C77 0.8(6) . . . . ?
C63 C64 C65 C66 -174.8(3) . . . . ?
C77 C64 C65 C66 4.9(5) . . . . ?
C63 C64 C65 C70 4.0(5) . . . . ?
C77 C64 C65 C70 -176.2(3) . . . . ?
C64 C65 C66 C67 -179.8(3) . . . . ?
C70 C65 C66 C67 1.3(5) . . . . ?
C64 C65 C66 C79 -0.1(5) . . . . ?
C70 C65 C66 C79 -178.9(3) . . . . ?
C65 C66 C67 C82 -177.6(3) . . . . ?
C79 C66 C67 C82 2.7(5) . . . . ?
C65 C66 C67 C68 2.3(5) . . . . ?
C79 C66 C67 C68 -177.4(3) . . . . ?
C82 C67 C68 C69 177.0(4) . . . . ?
C66 C67 C68 C69 -2.9(5) . . . . ?
C67 C68 C69 C70 -0.3(6) . . . . ?
C66 C65 C70 C71 175.0(3) . . . . ?
C64 C65 C70 C71 -3.9(5) . . . . ?
C66 C65 C70 C69 -4.3(5) . . . . ?
C64 C65 C70 C69 176.8(3) . . . . ?
C68 C69 C70 C71 -175.4(3) . . . . ?
C68 C69 C70 C65 3.9(5) . . . . ?
C65 C70 C71 C72 0.3(5) . . . . ?
C69 C70 C71 C72 179.6(3) . . . . ?
C65 C70 C71 Ru2 176.2(2) . . . . ?
C69 C70 C71 Ru2 -4.5(5) . . . . ?
N89 Ru2 C71 C70 -0.2(3) . . . . ?
N74 Ru2 C71 C70 -179.2(3) . . . . ?
N83 Ru2 C71 C70 -78.4(3) . . . . ?
N95 Ru2 C71 C70 80.6(3) . . . . ?
N51 Ru2 C71 C70 179.4(3) . . . . ?
N89 Ru2 C71 C72 175.8(2) . . . . ?
N74 Ru2 C71 C72 -3.2(2) . . . . ?
N83 Ru2 C71 C72 97.6(2) . . . . ?
N95 Ru2 C71 C72 -103.4(2) . . . . ?
N51 Ru2 C71 C72 -4.6(4) . . . . ?
C64 C63 C72 C71 -3.2(5) . . . . ?
C62 C63 C72 C71 175.7(4) . . . . ?
C64 C63 C72 C73 179.6(3) . . . . ?
C62 C63 C72 C73 -1.5(5) . . . . ?
C70 C71 C72 C63 3.3(5) . . . . ?
Ru2 C71 C72 C63 -173.5(3) . . . . ?
C70 C71 C72 C73 -179.4(3) . . . . ?
Ru2 C71 C72 C73 3.8(4) . . . . ?
C59 C60 C73 N74 -1.6(5) . . . . ?
C61 C60 C73 N74 176.1(3) . . . . ?
C59 C60 C73 C72 179.4(3) . . . . ?
C61 C60 C73 C72 -2.9(5) . . . . ?
C63 C72 C73 N74 175.4(3) . . . . ?
C71 C72 C73 N74 -2.0(4) . . . . ?
C63 C72 C73 C60 -5.5(5) . . . . ?
C71 C72 C73 C60 177.1(3) . . . . ?
C60 C73 N74 C75 2.1(5) . . . . ?
C72 C73 N74 C75 -178.8(3) . . . . ?
C60 C73 N74 Ru2 179.9(2) . . . . ?
C72 C73 N74 Ru2 -0.9(4) . . . . ?
N89 Ru2 N74 C73 -167.3(11) . . . . ?
N83 Ru2 N74 C73 -84.2(3) . . . . ?
N95 Ru2 N74 C73 98.2(3) . . . . ?
C71 Ru2 N74 C73 2.4(2) . . . . ?
N51 Ru2 N74 C73 -178.2(3) . . . . ?
N89 Ru2 N74 C75 10.5(13) . . . . ?
N83 Ru2 N74 C75 93.7(3) . . . . ?
N95 Ru2 N74 C75 -84.0(3) . . . . ?
C71 Ru2 N74 C75 -179.8(3) . . . . ?
N51 Ru2 N74 C75 -0.4(2) . . . . ?
C73 N74 C75 C58 -0.8(5) . . . . ?
Ru2 N74 C75 C58 -178.6(3) . . . . ?
C73 N74 C75 C76 178.1(3) . . . . ?
Ru2 N74 C75 C76 0.3(4) . . . . ?
C59 C58 C75 N74 -1.0(5) . . . . ?
C57 C58 C75 N74 178.3(3) . . . . ?
C59 C58 C75 C76 -179.8(3) . . . . ?
C57 C58 C75 C76 -0.6(5) . . . . ?
C52 N51 C76 C55 -1.3(5) . . . . ?
Ru2 N51 C76 C55 177.8(3) . . . . ?
C52 N51 C76 C75 -179.5(3) . . . . ?
Ru2 N51 C76 C75 -0.4(4) . . . . ?
C54 C55 C76 N51 0.7(5) . . . . ?
C56 C55 C76 N51 -178.0(3) . . . . ?
C54 C55 C76 C75 178.8(3) . . . . ?
C56 C55 C76 C75 0.1(5) . . . . ?
N74 C75 C76 N51 0.1(4) . . . . ?
C58 C75 C76 N51 179.0(3) . . . . ?
N74 C75 C76 C55 -178.1(3) . . . . ?
C58 C75 C76 C55 0.7(5) . . . . ?
C63 C64 C77 C78 173.8(4) . . . . ?
C65 C64 C77 C78 -6.0(7) . . . . ?
C64 C77 C78 C79 1.9(8) . . . . ?
C77 C78 C79 C80 -177.5(5) . . . . ?
C77 C78 C79 C66 3.2(7) . . . . ?
C67 C66 C79 C80 -3.7(6) . . . . ?
C65 C66 C79 C80 176.6(4) . . . . ?
C67 C66 C79 C78 175.6(4) . . . . ?
C65 C66 C79 C78 -4.1(6) . . . . ?
C78 C79 C80 C81 -176.8(4) . . . . ?
C66 C79 C80 C81 2.5(7) . . . . ?
C79 C80 C81 C82 -0.2(7) . . . . ?
C80 C81 C82 C67 -0.8(7) . . . . ?
C66 C67 C82 C81 -0.5(6) . . . . ?
C68 C67 C82 C81 179.6(4) . . . . ?
N89 Ru2 N83 C84 -174.3(3) . . . . ?
N74 Ru2 N83 C84 11.1(3) . . . . ?
N95 Ru2 N83 C84 -175.1(3) . . . . ?
C71 Ru2 N83 C84 -67.2(3) . . . . ?
N51 Ru2 N83 C84 89.2(3) . . . . ?
N89 Ru2 N83 C88 3.2(2) . . . . ?
N74 Ru2 N83 C88 -171.5(2) . . . . ?
N95 Ru2 N83 C88 2.3(4) . . . . ?
C71 Ru2 N83 C88 110.2(2) . . . . ?
N51 Ru2 N83 C88 -93.4(2) . . . . ?
C88 N83 C84 C85 -0.1(5) . . . . ?
Ru2 N83 C84 C85 177.3(3) . . . . ?
N83 C84 C85 C86 1.3(5) . . . . ?
C84 C85 C86 C87 -0.9(5) . . . . ?
C85 C86 C87 C88 -0.7(5) . . . . ?
C84 N83 C88 C87 -1.6(5) . . . . ?
Ru2 N83 C88 C87 -179.3(3) . . . . ?
C84 N83 C88 C90 176.4(3) . . . . ?
Ru2 N83 C88 C90 -1.4(4) . . . . ?
C86 C87 C88 N83 2.0(5) . . . . ?
C86 C87 C88 C90 -175.7(3) . . . . ?
N74 Ru2 N89 C90 79.4(12) . . . . ?
N83 Ru2 N89 C90 -4.8(2) . . . . ?
N95 Ru2 N89 C90 174.9(3) . . . . ?
C71 Ru2 N89 C90 -90.1(3) . . . . ?
N51 Ru2 N89 C90 90.1(2) . . . . ?
N74 Ru2 N89 C94 -94.1(12) . . . . ?
N83 Ru2 N89 C94 -178.3(3) . . . . ?
N95 Ru2 N89 C94 1.4(2) . . . . ?
C71 Ru2 N89 C94 96.4(2) . . . . ?
N51 Ru2 N89 C94 -83.4(2) . . . . ?
C94 N89 C90 C91 -3.6(5) . . . . ?
Ru2 N89 C90 C91 -177.0(3) . . . . ?
C94 N89 C90 C88 178.7(3) . . . . ?
Ru2 N89 C90 C88 5.3(4) . . . . ?
N83 C88 C90 N89 -2.3(4) . . . . ?
C87 C88 C90 N89 175.6(3) . . . . ?
N83 C88 C90 C91 -179.8(3) . . . . ?
C87 C88 C90 C91 -1.9(6) . . . . ?
N89 C90 C91 C92 -2.3(5) . . . . ?
C88 C90 C91 C92 175.0(3) . . . . ?
C90 C91 C92 C93 5.0(6) . . . . ?
C91 C92 C93 C94 -1.8(6) . . . . ?
C90 N89 C94 C93 6.8(5) . . . . ?
Ru2 N89 C94 C93 -179.8(2) . . . . ?
C90 N89 C94 C96 -173.5(3) . . . . ?
Ru2 N89 C94 C96 -0.1(4) . . . . ?
C92 C93 C94 N89 -4.1(5) . . . . ?
C92 C93 C94 C96 176.3(3) . . . . ?
N89 Ru2 N95 C100 -174.6(3) . . . . ?
N74 Ru2 N95 C100 0.0(3) . . . . ?
N83 Ru2 N95 C100 -173.8(3) . . . . ?
C71 Ru2 N95 C100 80.0(3) . . . . ?
N51 Ru2 N95 C100 -76.2(3) . . . . ?
N89 Ru2 N95 C96 -2.5(2) . . . . ?
N74 Ru2 N95 C96 172.1(2) . . . . ?
N83 Ru2 N95 C96 -1.6(4) . . . . ?
C71 Ru2 N95 C96 -107.8(2) . . . . ?
N51 Ru2 N95 C96 96.0(2) . . . . ?
C100 N95 C96 C97 -0.2(5) . . . . ?
Ru2 N95 C96 C97 -173.1(3) . . . . ?
C100 N95 C96 C94 176.1(3) . . . . ?
Ru2 N95 C96 C94 3.2(4) . . . . ?
N89 C94 C96 N95 -2.0(4) . . . . ?
C93 C94 C96 N95 177.6(3) . . . . ?
N89 C94 C96 C97 174.1(3) . . . . ?
C93 C94 C96 C97 -6.2(6) . . . . ?
N95 C96 C97 C98 0.2(5) . . . . ?
C94 C96 C97 C98 -175.7(3) . . . . ?
C96 C97 C98 C99 0.0(6) . . . . ?
C97 C98 C99 C100 -0.2(6) . . . . ?
C96 N95 C100 C99 0.0(5) . . . . ?
Ru2 N95 C100 C99 171.9(3) . . . . ?
C98 C99 C100 N95 0.2(6) . . . . ?
