#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:40:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179198 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/36/4313679.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_4313679
loop_
_publ_author_name
'Dalia Gut'
'Israel Goldberg'
'Moshe Kol'
_publ_section_title
;
 Eilatin as a Bridging Ligand in Ruthenium(II) Complexes: Synthesis,
 Crystal Structures, Absorption Spectra, and Electrochemical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3483
_journal_page_last               3491
_journal_paper_doi               10.1021/ic020703c
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C59 H52 F12 N8 P2 Ru'
_chemical_formula_weight         1264.10
_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                 102.2020(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.3060(9)
_cell_length_b                   14.7720(4)
_cell_length_c                   21.2170(7)
_cell_measurement_reflns_used    6521
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.26
_cell_volume                     11121.9(6)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF-96
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean '56 microns'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '0.8 deg. Phi scans'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0729
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9657
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.428
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             5152
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.234
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         9657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1107
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.193
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1305P)²+27.6496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1803
_refine_ls_wR_factor_ref         0.2109
_reflns_number_gt                6521
_reflns_number_total             9657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020703c_1.cif
_cod_data_source_block           compound-3
_cod_original_cell_volume        11121.9(5)
_cod_database_code               4313679
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 0.105537(12) 0.22429(3) 0.02778(2) 0.02745(18) Uani 1 1 d . . .
P1 P 0.63954(5) 0.28398(11) 0.04416(11) 0.0501(5) Uani 1 1 d . . .
P2 P 1.0000 0.07921(18) 0.7500 0.0478(6) Uani 1 2 d S . .
P3 P 1.0000 0.4596(2) 0.2500 0.0635(8) Uani 1 2 d S . .
F1 F 0.63415(11) 0.3643(3) -0.0076(2) 0.0637(12) Uani 1 1 d . . .
F2 F 0.64476(12) 0.2031(3) 0.0949(2) 0.0693(12) Uani 1 1 d . . .
F3 F 0.64920(13) 0.2153(3) -0.0079(2) 0.0722(13) Uani 1 1 d . . .
F4 F 0.59612(12) 0.2582(3) 0.0208(3) 0.0764(15) Uani 1 1 d . . .
F5 F 0.68345(10) 0.3080(3) 0.0658(3) 0.0736(14) Uani 1 1 d . . .
F6 F 0.62996(14) 0.3520(3) 0.0950(2) 0.0796(14) Uani 1 1 d . . .
F7 F 1.04168(12) 0.0781(3) 0.73755(19) 0.0652(12) Uani 1 1 d . . .
F8 F 1.0000 0.1870(4) 0.7500 0.0666(17) Uani 1 2 d S . .
F9 F 0.98333(13) 0.0804(4) 0.67475(18) 0.0793(15) Uani 1 1 d . . .
F10 F 1.0000 -0.0270(5) 0.7500 0.091(2) Uani 1 2 d S . .
F11 F 1.03699(14) 0.4616(3) 0.3064(2) 0.0818(14) Uani 1 1 d . . .
F12 F 1.0000 0.5656(5) 0.2500 0.132(4) Uani 1 2 d S . .
F13 F 1.02548(18) 0.4596(6) 0.1989(3) 0.136(3) Uani 1 1 d . . .
F14 F 1.0000 0.3548(5) 0.2500 0.141(4) Uani 1 2 d S . .
N1 N 0.14314(12) 0.3313(3) 0.0420(2) 0.0286(10) Uani 1 1 d . . .
N2 N 0.15576(12) 0.1565(3) 0.0466(2) 0.0282(10) Uani 1 1 d . . .
N3 N 0.07507(12) 0.1066(3) 0.0282(2) 0.0302(11) Uani 1 1 d . . .
N4 N 0.10138(13) 0.2190(3) 0.1231(2) 0.0318(11) Uani 1 1 d . . .
N5 N 0.10058(12) 0.2308(3) -0.0713(2) 0.0297(11) Uani 1 1 d . . .
N6 N 0.05622(13) 0.2983(3) 0.0005(2) 0.0301(11) Uani 1 1 d . . .
N7 N 0.27695(12) 0.3912(3) 0.0856(2) 0.0288(10) Uani 1 1 d . . .
N8 N 0.29023(13) 0.2074(3) 0.0910(2) 0.0304(11) Uani 1 1 d . . .
C1 C 0.16153(17) 0.0647(4) 0.0496(3) 0.0346(14) Uani 1 1 d . . .
H1 H 0.1402 0.0258 0.0429 0.042 Uiso 1 1 calc R . .
C2 C 0.19644(17) 0.0270(4) 0.0615(3) 0.0347(14) Uani 1 1 d . . .
H2 H 0.1990 -0.0370 0.0630 0.042 Uiso 1 1 calc R . .
C3 C 0.22884(16) 0.0816(4) 0.0717(2) 0.0289(12) Uani 1 1 d . . .
C4 C 0.26717(16) 0.0492(4) 0.0828(3) 0.0319(13) Uani 1 1 d . . .
C5 C 0.27653(18) -0.0425(4) 0.0828(3) 0.0384(15) Uani 1 1 d . . .
H5 H 0.2572 -0.0868 0.0769 0.046 Uiso 1 1 calc R . .
C6 C 0.31360(18) -0.0692(4) 0.0912(3) 0.0428(16) Uani 1 1 d . . .
H6 H 0.3196 -0.1316 0.0891 0.051 Uiso 1 1 calc R . .
C7 C 0.34235(18) -0.0049(4) 0.1030(3) 0.0427(16) Uani 1 1 d . . .
H7 H 0.3679 -0.0241 0.1108 0.051 Uiso 1 1 calc R . .
C8 C 0.33416(17) 0.0860(4) 0.1035(3) 0.0392(15) Uani 1 1 d . . .
H8 H 0.3540 0.1292 0.1111 0.047 Uiso 1 1 calc R . .
C9 C 0.29620(16) 0.1150(4) 0.0926(3) 0.0307(13) Uani 1 1 d . . .
C10 C 0.25543(15) 0.2360(4) 0.0798(2) 0.0269(12) Uani 1 1 d . . .
C11 C 0.22340(15) 0.1766(4) 0.0697(2) 0.0278(12) Uani 1 1 d . . .
C12 C 0.18632(15) 0.2100(3) 0.0568(2) 0.0255(12) Uani 1 1 d . . .
C13 C 0.17967(15) 0.3060(4) 0.0548(3) 0.0273(12) Uani 1 1 d . . .
C14 C 0.20983(16) 0.3671(4) 0.0669(3) 0.0292(12) Uani 1 1 d . . .
C15 C 0.24824(15) 0.3363(3) 0.0777(2) 0.0259(12) Uani 1 1 d . . .
C16 C 0.27016(15) 0.4841(4) 0.0852(3) 0.0298(13) Uani 1 1 d . . .
C17 C 0.30128(16) 0.5422(4) 0.0911(3) 0.0365(14) Uani 1 1 d . . .
H17 H 0.3258 0.5172 0.0958 0.044 Uiso 1 1 calc R . .
C18 C 0.29691(18) 0.6342(4) 0.0901(3) 0.0466(16) Uani 1 1 d . . .
H18 H 0.3181 0.6728 0.0929 0.056 Uiso 1 1 calc R . .
C19 C 0.26096(18) 0.6705(4) 0.0850(3) 0.0457(16) Uani 1 1 d . . .
H19 H 0.2580 0.7343 0.0856 0.055 Uiso 1 1 calc R . .
C20 C 0.23030(17) 0.6168(4) 0.0794(3) 0.0365(14) Uani 1 1 d . . .
H20 H 0.2061 0.6433 0.0762 0.044 Uiso 1 1 calc R . .
C21 C 0.23387(15) 0.5222(4) 0.0781(3) 0.0292(12) Uani 1 1 d . . .
C22 C 0.20202(15) 0.4607(4) 0.0679(3) 0.0290(12) Uani 1 1 d . . .
C23 C 0.16390(15) 0.4850(4) 0.0556(3) 0.0339(13) Uani 1 1 d . . .
H23 H 0.1572 0.5471 0.0562 0.041 Uiso 1 1 calc R . .
C24 C 0.13641(17) 0.4219(4) 0.0430(3) 0.0364(14) Uani 1 1 d . . .
H24 H 0.1110 0.4419 0.0344 0.044 Uiso 1 1 calc R . .
C25 C 0.06363(15) 0.0486(4) -0.0208(3) 0.0320(13) Uani 1 1 d . . .
H25 H 0.0669 0.0661 -0.0624 0.038 Uiso 1 1 calc R . .
C26 C 0.04740(15) -0.0347(4) -0.0150(3) 0.0338(14) Uani 1 1 d . . .
C27 C 0.03727(19) -0.0963(4) -0.0719(3) 0.0480(17) Uani 1 1 d . . .
H27A H 0.0534 -0.1501 -0.0648 0.072 Uiso 1 1 calc R . .
H27B H 0.0410 -0.0646 -0.1106 0.072 Uiso 1 1 calc R . .
H27C H 0.0108 -0.1145 -0.0775 0.072 Uiso 1 1 calc R . .
C28 C 0.04214(15) -0.0599(4) 0.0454(3) 0.0346(14) Uani 1 1 d . . .
C29 C 0.02502(18) -0.1490(4) 0.0579(3) 0.0467(16) Uani 1 1 d . . .
H29A H 0.0028 -0.1609 0.0238 0.070 Uiso 1 1 calc R . .
H29B H 0.0176 -0.1467 0.0997 0.070 Uiso 1 1 calc R . .
H29C H 0.0435 -0.1975 0.0585 0.070 Uiso 1 1 calc R . .
C30 C 0.05318(16) -0.0009(4) 0.0967(3) 0.0358(14) Uani 1 1 d . . .
H30 H 0.0493 -0.0168 0.1382 0.043 Uiso 1 1 calc R . .
C31 C 0.06975(15) 0.0809(4) 0.0877(3) 0.0320(13) Uani 1 1 d . . .
C32 C 0.08194(17) 0.1485(4) 0.1390(3) 0.0370(14) Uani 1 1 d . . .
C33 C 0.0732(2) 0.1424(5) 0.1993(3) 0.060(2) Uani 1 1 d . . .
H33 H 0.0594 0.0919 0.2097 0.072 Uiso 1 1 calc R . .
C34 C 0.0847(3) 0.2106(6) 0.2451(3) 0.068(2) Uani 1 1 d . . .
C35 C 0.0752(3) 0.2058(7) 0.3095(4) 0.106(4) Uani 1 1 d . . .
H35A H 0.0982 0.1963 0.3424 0.159 Uiso 1 1 calc R . .
H35B H 0.0578 0.1553 0.3105 0.159 Uiso 1 1 calc R . .
H35C H 0.0632 0.2626 0.3183 0.159 Uiso 1 1 calc R . .
C36 C 0.1048(2) 0.2833(5) 0.2273(3) 0.057(2) Uani 1 1 d . . .
C37 C 0.1180(3) 0.3593(7) 0.2748(4) 0.088(3) Uani 1 1 d . . .
H37A H 0.1362 0.3356 0.3118 0.132 Uiso 1 1 calc R . .
H37B H 0.0964 0.3848 0.2895 0.132 Uiso 1 1 calc R . .
H37C H 0.1299 0.4067 0.2536 0.132 Uiso 1 1 calc R . .
C38 C 0.11277(18) 0.2833(5) 0.1675(3) 0.0464(17) Uani 1 1 d . . .
H38 H 0.1274 0.3319 0.1566 0.056 Uiso 1 1 calc R . .
C39 C 0.12345(15) 0.1942(4) -0.1062(3) 0.0317(13) Uani 1 1 d . . .
H39 H 0.1441 0.1589 -0.0843 0.038 Uiso 1 1 calc R . .
C40 C 0.11878(17) 0.2046(4) -0.1726(3) 0.0361(14) Uani 1 1 d . . .
C41 C 0.14521(19) 0.1556(5) -0.2072(3) 0.0531(18) Uani 1 1 d . . .
H41A H 0.1636 0.1211 -0.1759 0.080 Uiso 1 1 calc R . .
H41B H 0.1584 0.1997 -0.2289 0.080 Uiso 1 1 calc R . .
H41C H 0.1308 0.1142 -0.2392 0.080 Uiso 1 1 calc R . .
C42 C 0.08970(17) 0.2588(4) -0.2046(3) 0.0377(14) Uani 1 1 d . . .
C43 C 0.0834(2) 0.2754(5) -0.2761(3) 0.057(2) Uani 1 1 d . . .
H43A H 0.1060 0.3025 -0.2864 0.086 Uiso 1 1 calc R . .
H43B H 0.0620 0.3166 -0.2894 0.086 Uiso 1 1 calc R . .
H43C H 0.0779 0.2178 -0.2992 0.086 Uiso 1 1 calc R . .
C44 C 0.06624(17) 0.2985(4) -0.1684(3) 0.0401(15) Uani 1 1 d . . .
H44 H 0.0463 0.3367 -0.1892 0.048 Uiso 1 1 calc R . .
C45 C 0.07130(16) 0.2836(4) -0.1031(3) 0.0317(13) Uani 1 1 d . . .
C46 C 0.04575(15) 0.3174(4) -0.0627(3) 0.0304(13) Uani 1 1 d . . .
C47 C 0.01217(15) 0.3621(4) -0.0878(3) 0.0345(14) Uani 1 1 d . . .
H47 H 0.0061 0.3776 -0.1323 0.041 Uiso 1 1 calc R . .
C48 C -0.01247(16) 0.3842(4) -0.0486(3) 0.0364(14) Uani 1 1 d . . .
C49 C -0.04988(16) 0.4292(4) -0.0766(3) 0.0464(17) Uani 1 1 d . . .
H49A H -0.0703 0.3852 -0.0786 0.070 Uiso 1 1 calc R . .
H49B H -0.0498 0.4513 -0.1201 0.070 Uiso 1 1 calc R . .
H49C H -0.0538 0.4802 -0.0491 0.070 Uiso 1 1 calc R . .
C50 C -0.00224(16) 0.3630(4) 0.0164(3) 0.0352(14) Uani 1 1 d . . .
C51 C -0.02774(18) 0.3817(4) 0.0631(3) 0.0461(16) Uani 1 1 d . . .
H51A H -0.0330 0.4467 0.0637 0.069 Uiso 1 1 calc R . .
H51B H -0.0152 0.3619 0.1065 0.069 Uiso 1 1 calc R . .
H51C H -0.0514 0.3485 0.0494 0.069 Uiso 1 1 calc R . .
C52 C 0.03235(16) 0.3220(4) 0.0393(3) 0.0354(14) Uani 1 1 d . . .
H52 H 0.0397 0.3098 0.0841 0.042 Uiso 1 1 calc R . .
C53 C 0.7902(9) 0.481(2) 0.7533(14) 0.150(10) Uiso 0.50 1 d P . .
C54 C 0.7667(4) 0.3940(11) 0.7505(7) 0.057(4) Uiso 0.50 1 d P . .
C55 C 0.7571(9) 0.297(2) 0.7442(14) 0.143(10) Uiso 0.50 1 d P . .
C56 C 0.7124(6) 0.2815(14) 0.7307(10) 0.094(6) Uiso 0.50 1 d P . .
C57 C 0.6955(4) 0.3606(11) 0.7265(7) 0.057(4) Uiso 0.50 1 d P . .
C58 C 0.7108(6) 0.4415(14) 0.7318(9) 0.088(6) Uiso 0.50 1 d P . .
C59 C 0.7456(9) 0.456(2) 0.7411(13) 0.139(10) Uiso 0.50 1 d P . .
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'
F F 0.0171 0.0103 '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'
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
N2 Ru N4 92.10(18) . . ?
N2 Ru N3 92.47(17) . . ?
N4 Ru N3 79.23(17) . . ?
N2 Ru N1 79.16(17) . . ?
N4 Ru N1 93.94(17) . . ?
N3 Ru N1 169.07(17) . . ?
N2 Ru N5 95.96(17) . . ?
N4 Ru N5 171.02(17) . . ?
N3 Ru N5 96.42(17) . . ?
N1 Ru N5 91.47(17) . . ?
N2 Ru N6 174.21(18) . . ?
N4 Ru N6 93.20(18) . . ?
N3 Ru N6 90.78(17) . . ?
N1 Ru N6 98.17(17) . . ?
N5 Ru N6 78.92(18) . . ?
F6 P1 F2 91.6(3) . . ?
F6 P1 F3 179.6(3) . . ?
F2 P1 F3 88.8(2) . . ?
F6 P1 F4 91.1(3) . . ?
F2 P1 F4 90.0(3) . . ?
F3 P1 F4 88.9(3) . . ?
F6 P1 F1 89.1(2) . . ?
F2 P1 F1 179.2(3) . . ?
F3 P1 F1 90.5(3) . . ?
F4 P1 F1 89.7(2) . . ?
F6 P1 F5 90.7(3) . . ?
F2 P1 F5 90.2(2) . . ?
F3 P1 F5 89.3(3) . . ?
F4 P1 F5 178.2(3) . . ?
F1 P1 F5 90.2(2) . . ?
F10 P2 F9 90.6(2) . 2_756 ?
F10 P2 F9 90.6(2) . . ?
F9 P2 F9 178.7(4) 2_756 . ?
F10 P2 F7 89.40(18) . . ?
F9 P2 F7 89.6(2) 2_756 . ?
F9 P2 F7 90.4(2) . . ?
F10 P2 F7 89.40(18) . 2_756 ?
F9 P2 F7 90.4(2) 2_756 2_756 ?
F9 P2 F7 89.6(2) . 2_756 ?
F7 P2 F7 178.8(4) . 2_756 ?
F10 P2 F8 180.000(3) . . ?
F9 P2 F8 89.4(2) 2_756 . ?
F9 P2 F8 89.4(2) . . ?
F7 P2 F8 90.60(18) . . ?
F7 P2 F8 90.60(18) 2_756 . ?
F14 P3 F12 179.992(1) . . ?
F14 P3 F13 90.0(3) . . ?
F12 P3 F13 90.0(3) . . ?
F14 P3 F13 90.0(3) . 2_755 ?
F12 P3 F13 90.0(3) . 2_755 ?
F13 P3 F13 180.0(7) . 2_755 ?
F14 P3 F11 91.0(2) . . ?
F12 P3 F11 89.0(2) . . ?
F13 P3 F11 89.5(3) . . ?
F13 P3 F11 90.5(3) 2_755 . ?
F14 P3 F11 91.0(2) . 2_755 ?
F12 P3 F11 89.0(2) . 2_755 ?
F13 P3 F11 90.5(3) . 2_755 ?
F13 P3 F11 89.5(3) 2_755 2_755 ?
F11 P3 F11 177.9(4) . 2_755 ?
C13 N1 C24 116.2(5) . . ?
C13 N1 Ru 114.1(3) . . ?
C24 N1 Ru 129.7(4) . . ?
C12 N2 C1 117.5(5) . . ?
C12 N2 Ru 114.6(3) . . ?
C1 N2 Ru 127.9(4) . . ?
C25 N3 C31 117.1(5) . . ?
C25 N3 Ru 127.8(4) . . ?
C31 N3 Ru 114.7(4) . . ?
C38 N4 C32 118.2(5) . . ?
C38 N4 Ru 126.0(4) . . ?
C32 N4 Ru 115.4(4) . . ?
C39 N5 C45 117.6(5) . . ?
C39 N5 Ru 127.7(4) . . ?
C45 N5 Ru 114.6(4) . . ?
C46 N6 C52 117.9(5) . . ?
C46 N6 Ru 115.7(4) . . ?
C52 N6 Ru 126.1(4) . . ?
C15 N7 C16 118.4(5) . . ?
C10 N8 C9 117.7(5) . . ?
C2 C1 N2 122.8(5) . . ?
C2 C1 H1 118.6 . . ?
N2 C1 H1 118.6 . . ?
C1 C2 C3 120.8(5) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C2 C3 C11 117.2(5) . . ?
C2 C3 C4 125.7(5) . . ?
C11 C3 C4 117.1(5) . . ?
C5 C4 C9 119.5(5) . . ?
C5 C4 C3 123.2(6) . . ?
C9 C4 C3 117.3(5) . . ?
C6 C5 C4 120.6(6) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 120.1(6) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 120.7(6) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 119.9(6) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
N8 C9 C8 116.5(5) . . ?
N8 C9 C4 124.5(5) . . ?
C8 C9 C4 119.0(5) . . ?
N8 C10 C11 123.5(5) . . ?
N8 C10 C15 118.7(5) . . ?
C11 C10 C15 117.9(5) . . ?
C12 C11 C3 118.4(5) . . ?
C12 C11 C10 121.8(5) . . ?
C3 C11 C10 119.8(5) . . ?
N2 C12 C11 123.4(5) . . ?
N2 C12 C13 116.6(5) . . ?
C11 C12 C13 120.0(5) . . ?
N1 C13 C14 123.8(5) . . ?
N1 C13 C12 115.5(5) . . ?
C14 C13 C12 120.7(5) . . ?
C13 C14 C22 118.8(5) . . ?
C13 C14 C15 121.3(5) . . ?
C22 C14 C15 119.9(5) . . ?
N7 C15 C14 123.0(5) . . ?
N7 C15 C10 118.7(5) . . ?
C14 C15 C10 118.2(5) . . ?
N7 C16 C17 117.6(5) . . ?
N7 C16 C21 123.6(5) . . ?
C17 C16 C21 118.8(5) . . ?
C18 C17 C16 121.2(6) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 119.2(6) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 121.4(6) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C19 C20 C21 120.5(6) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C16 118.9(5) . . ?
C20 C21 C22 123.5(5) . . ?
C16 C21 C22 117.6(5) . . ?
C23 C22 C14 116.2(5) . . ?
C23 C22 C21 126.4(5) . . ?
C14 C22 C21 117.3(5) . . ?
C24 C23 C22 121.4(5) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 N1 123.6(5) . . ?
C23 C24 H24 118.2 . . ?
N1 C24 H24 118.2 . . ?
N3 C25 C26 124.5(6) . . ?
N3 C25 H25 117.7 . . ?
C26 C25 H25 117.7 . . ?
C25 C26 C28 117.8(5) . . ?
C25 C26 C27 120.5(6) . . ?
C28 C26 C27 121.7(5) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 C30 119.0(5) . . ?
C26 C28 C29 122.8(5) . . ?
C30 C28 C29 118.2(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C28 120.2(6) . . ?
C31 C30 H30 119.9 . . ?
C28 C30 H30 119.9 . . ?
N3 C31 C30 121.4(5) . . ?
N3 C31 C32 114.5(5) . . ?
C30 C31 C32 124.1(5) . . ?
N4 C32 C33 121.2(5) . . ?
N4 C32 C31 115.5(5) . . ?
C33 C32 C31 123.2(6) . . ?
C32 C33 C34 120.1(6) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C36 C34 C33 117.6(6) . . ?
C36 C34 C35 121.6(7) . . ?
C33 C34 C35 120.8(7) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 C34 118.7(6) . . ?
C38 C36 C37 121.3(7) . . ?
C34 C36 C37 120.1(7) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N4 C38 C36 124.2(6) . . ?
N4 C38 H38 117.9 . . ?
C36 C38 H38 117.9 . . ?
N5 C39 C40 124.0(5) . . ?
N5 C39 H39 118.0 . . ?
C40 C39 H39 118.0 . . ?
C42 C40 C39 118.5(5) . . ?
C42 C40 C41 122.5(5) . . ?
C39 C40 C41 119.0(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 C44 117.7(5) . . ?
C40 C42 C43 121.8(6) . . ?
C44 C42 C43 120.5(6) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C42 121.4(6) . . ?
C45 C44 H44 119.3 . . ?
C42 C44 H44 119.3 . . ?
N5 C45 C44 120.7(5) . . ?
N5 C45 C46 115.0(5) . . ?
C44 C45 C46 124.3(5) . . ?
N6 C46 C47 121.5(5) . . ?
N6 C46 C45 115.4(5) . . ?
C47 C46 C45 123.1(5) . . ?
C48 C47 C46 120.5(6) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C50 118.3(5) . . ?
C47 C48 C49 120.5(6) . . ?
C50 C48 C49 121.2(5) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 C52 118.6(5) . . ?
C48 C50 C51 122.5(6) . . ?
C52 C50 C51 118.9(6) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N6 C52 C50 123.1(6) . . ?
N6 C52 H52 118.4 . . ?
C50 C52 H52 118.4 . . ?
C54 C53 C59 43.7(14) . . ?
C59 C54 C55 127(2) . . ?
C59 C54 C53 72(2) . . ?
C55 C54 C53 159(2) . . ?
C54 C55 C56 111(2) . . ?
C57 C56 C55 109(2) . . ?
C58 C57 C56 128.3(18) . . ?
C59 C58 C57 124(2) . . ?
C54 C59 C58 120(3) . . ?
C54 C59 C53 64(2) . . ?
C58 C59 C53 177(3) . . ?
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
Ru N2 2.044(4) . ?
Ru N4 2.060(5) . ?
Ru N3 2.062(4) . ?
Ru N1 2.068(4) . ?
Ru N5 2.073(5) . ?
Ru N6 2.074(5) . ?
P1 F6 1.566(5) . ?
P1 F2 1.592(5) . ?
P1 F3 1.594(5) . ?
P1 F4 1.595(4) . ?
P1 F1 1.600(4) . ?
P1 F5 1.603(4) . ?
P2 F10 1.569(7) . ?
P2 F9 1.583(4) 2_756 ?
P2 F9 1.583(4) . ?
P2 F7 1.590(4) . ?
P2 F7 1.590(4) 2_756 ?
P2 F8 1.593(6) . ?
P3 F14 1.549(8) . ?
P3 F12 1.565(8) . ?
P3 F13 1.567(5) . ?
P3 F13 1.567(5) 2_755 ?
P3 F11 1.599(5) . ?
P3 F11 1.599(5) 2_755 ?
N1 C13 1.349(7) . ?
N1 C24 1.363(7) . ?
N2 C12 1.342(7) . ?
N2 C1 1.372(7) . ?
N3 C25 1.344(7) . ?
N3 C31 1.370(7) . ?
N4 C38 1.341(7) . ?
N4 C32 1.342(7) . ?
N5 C39 1.338(7) . ?
N5 C45 1.375(7) . ?
N6 C46 1.343(7) . ?
N6 C52 1.361(7) . ?
N7 C15 1.304(7) . ?
N7 C16 1.394(7) . ?
N8 C10 1.306(7) . ?
N8 C9 1.381(7) . ?
C1 C2 1.358(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.404(8) . ?
C2 H2 0.9500 . ?
C3 C11 1.417(7) . ?
C3 C4 1.443(8) . ?
C4 C5 1.396(8) . ?
C4 C9 1.416(8) . ?
C5 C6 1.377(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.394(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.376(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.415(8) . ?
C8 H8 0.9500 . ?
C10 C11 1.436(8) . ?
C10 C15 1.503(7) . ?
C11 C12 1.405(7) . ?
C12 C13 1.437(7) . ?
C13 C14 1.400(8) . ?
C14 C22 1.413(7) . ?
C14 C15 1.439(8) . ?
C16 C17 1.404(8) . ?
C16 C21 1.411(8) . ?
C17 C18 1.367(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.394(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.352(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.405(8) . ?
C20 H20 0.9500 . ?
C21 C22 1.450(7) . ?
C22 C23 1.399(8) . ?
C23 C24 1.350(8) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.381(8) . ?
C25 H25 0.9500 . ?
C26 C28 1.386(8) . ?
C26 C27 1.493(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.387(8) . ?
C28 C29 1.504(8) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.381(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.474(8) . ?
C32 C33 1.385(9) . ?
C33 C34 1.400(10) . ?
C33 H33 0.9500 . ?
C34 C36 1.393(10) . ?
C34 C35 1.482(10) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C38 1.360(9) . ?
C36 C37 1.517(10) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 0.9500 . ?
C39 C40 1.393(8) . ?
C39 H39 0.9500 . ?
C40 C42 1.383(8) . ?
C40 C41 1.509(9) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C44 1.392(9) . ?
C42 C43 1.505(9) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.377(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.477(8) . ?
C46 C47 1.390(8) . ?
C47 C48 1.384(8) . ?
C47 H47 0.9500 . ?
C48 C50 1.386(9) . ?
C48 C49 1.516(8) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C52 1.387(8) . ?
C50 C51 1.517(8) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52 0.9500 . ?
C53 C54 1.53(3) . ?
C53 C59 1.63(4) . ?
C54 C59 1.18(3) . ?
C54 C55 1.48(3) . ?
C55 C56 1.60(4) . ?
C56 C57 1.32(2) . ?
C57 C58 1.31(2) . ?
C58 C59 1.26(3) . ?
