#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:47:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179128 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/90/4309029.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_4309029
loop_
_publ_author_name
'Sheba D. Bergman'
'Israel Goldberg'
'Andrea Barbieri'
'Moshe Kol'
_publ_section_title
;
Mononuclear and Dinuclear Complexes of Isoeilatin
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2513
_journal_page_last               2523
_journal_paper_doi               10.1021/ic050002q
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety
'(C64 H44 N12 Ru2), 4(P F6), 2(H2 O), 2(C2 H3 N)'
_chemical_formula_sum            'C68 H54 F24 N14 O2 P4 Ru2'
_chemical_formula_weight         1881.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.2320(10)
_cell_angle_beta                 97.7970(10)
_cell_angle_gamma                110.9131(11)
_cell_formula_units_Z            1
_cell_length_a                   11.1200(3)
_cell_length_b                   12.6530(3)
_cell_length_c                   13.9580(5)
_cell_measurement_reflns_used    5942
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      1.99
_cell_volume                     1801.65(9)
_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 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi & Omega 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    0.0715
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7618
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_T_max  0.9117
_exptl_absorpt_correction_T_min  0.8196
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.220
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.0063(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         7618
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0703
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0991P)²+5.6887P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1793
_refine_ls_wR_factor_ref         0.1976
_reflns_number_gt                5942
_reflns_number_total             7618
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050002qsi20050224_104410_3.cif
_cod_data_source_block           mk99
_cod_database_code               4309029
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.98329(4) 0.29165(4) 0.26091(3) 0.03206(17) Uani 1 1 d . . .
P1 P 0.25439(16) 0.81793(13) 0.37233(11) 0.0428(4) Uani 1 1 d . . .
P2 P 0.6231(2) 0.7614(2) 0.07327(18) 0.0751(6) Uani 1 1 d . . .
F1 F 0.3672(4) 0.8056(4) 0.3174(3) 0.0676(12) Uani 1 1 d . . .
F2 F 0.1453(4) 0.8286(3) 0.4302(3) 0.0656(12) Uani 1 1 d . . .
F3 F 0.1485(4) 0.7202(4) 0.2945(3) 0.0654(11) Uani 1 1 d . . .
F4 F 0.3611(5) 0.9140(4) 0.4503(3) 0.0840(16) Uani 1 1 d . . .
F5 F 0.2655(5) 0.7207(4) 0.4367(3) 0.0722(12) Uani 1 1 d . . .
F6 F 0.2435(5) 0.9138(4) 0.3088(4) 0.0855(15) Uani 1 1 d . . .
F7 F 0.7335(6) 0.7579(5) 0.0162(5) 0.1012(18) Uani 1 1 d . . .
F8 F 0.7254(7) 0.8378(6) 0.1663(4) 0.121(2) Uani 1 1 d . . .
F9 F 0.5072(6) 0.7580(7) 0.1295(5) 0.123(2) Uani 1 1 d . . .
F10 F 0.6246(6) 0.8741(6) 0.0310(4) 0.104(2) Uani 1 1 d . . .
F11 F 0.6271(7) 0.6558(6) 0.1211(6) 0.127(2) Uani 1 1 d . . .
F12 F 0.5182(7) 0.6917(7) -0.0165(5) 0.134(3) Uani 1 1 d . . .
N1 N 0.9329(4) 0.4264(4) 0.3025(3) 0.0329(9) Uani 1 1 d . . .
N2 N 1.0390(4) 0.3130(4) 0.4151(3) 0.0328(9) Uani 1 1 d . . .
N3 N 0.7921(4) 0.1838(4) 0.2548(3) 0.0355(10) Uani 1 1 d . . .
N4 N 0.9117(5) 0.2828(4) 0.1159(4) 0.0430(11) Uani 1 1 d . . .
N5 N 1.1750(5) 0.3860(5) 0.2528(4) 0.0444(11) Uani 1 1 d . . .
N6 N 1.0443(5) 0.1627(4) 0.2097(3) 0.0395(10) Uani 1 1 d . . .
C1 C 0.7372(6) 0.1388(5) 0.3286(4) 0.0458(14) Uani 1 1 d . . .
H1 H 0.7896 0.1549 0.3915 0.055 Uiso 1 1 calc R . .
C2 C 0.6065(6) 0.0695(6) 0.3171(5) 0.0533(16) Uani 1 1 d . . .
H2 H 0.5710 0.0391 0.3717 0.064 Uiso 1 1 calc R . .
C3 C 0.5295(7) 0.0449(6) 0.2294(5) 0.0547(17) Uani 1 1 d . . .
H3 H 0.4407 -0.0054 0.2209 0.066 Uiso 1 1 calc R . .
C4 C 0.5820(6) 0.0944(5) 0.1509(5) 0.0491(15) Uani 1 1 d . . .
H4 H 0.5285 0.0812 0.0887 0.059 Uiso 1 1 calc R . .
C5 C 0.7126(6) 0.1626(5) 0.1651(4) 0.0434(13) Uani 1 1 d . . .
C6 C 0.7806(6) 0.2168(5) 0.0865(4) 0.0408(12) Uani 1 1 d . . .
C7 C 0.7185(7) 0.2050(6) -0.0084(4) 0.0513(15) Uani 1 1 d . . .
H7 H 0.6281 0.1600 -0.0275 0.062 Uiso 1 1 calc R . .
C8 C 0.7919(8) 0.2610(6) -0.0756(5) 0.0551(17) Uani 1 1 d . . .
H8 H 0.7503 0.2551 -0.1409 0.066 Uiso 1 1 calc R . .
C9 C 0.9217(7) 0.3238(6) -0.0496(4) 0.0520(16) Uani 1 1 d . . .
H9 H 0.9724 0.3600 -0.0958 0.062 Uiso 1 1 calc R . .
C10 C 0.9782(7) 0.3332(5) 0.0490(5) 0.0489(15) Uani 1 1 d . . .
H10 H 1.0686 0.3779 0.0686 0.059 Uiso 1 1 calc R . .
C11 C 0.9660(8) 0.0518(5) 0.1813(5) 0.0560(17) Uani 1 1 d . . .
H11 H 0.8769 0.0259 0.1888 0.067 Uiso 1 1 calc R . .
C12 C 1.0181(9) -0.0265(6) 0.1398(5) 0.063(2) Uani 1 1 d . . .
H12 H 0.9633 -0.1042 0.1195 0.076 Uiso 1 1 calc R . .
C13 C 1.1455(9) 0.0109(8) 0.1297(6) 0.069(2) Uani 1 1 d . . .
H13 H 1.1810 -0.0407 0.1036 0.083 Uiso 1 1 calc R . .
C14 C 1.2213(9) 0.1216(8) 0.1569(5) 0.066(2) Uani 1 1 d . . .
H14 H 1.3105 0.1488 0.1496 0.080 Uiso 1 1 calc R . .
C15 C 1.1688(7) 0.1957(6) 0.1955(4) 0.0470(15) Uani 1 1 d . . .
C16 C 1.2471(7) 0.3223(6) 0.2240(5) 0.0503(15) Uani 1 1 d . . .
C17 C 1.3779(7) 0.3739(7) 0.2184(6) 0.0634(19) Uani 1 1 d . . .
H17 H 1.4255 0.3299 0.1976 0.076 Uiso 1 1 calc R . .
C18 C 1.4394(8) 0.4931(8) 0.2441(7) 0.079(3) Uani 1 1 d . . .
H18 H 1.5294 0.5305 0.2411 0.095 Uiso 1 1 calc R . .
C19 C 1.3693(7) 0.5537(6) 0.2730(7) 0.068(2) Uani 1 1 d . . .
H19 H 1.4090 0.6341 0.2906 0.082 Uiso 1 1 calc R . .
C20 C 1.2371(7) 0.4958(6) 0.2766(6) 0.0571(17) Uani 1 1 d . . .
H20 H 1.1894 0.5394 0.2979 0.069 Uiso 1 1 calc R . .
C21 C 0.8713(5) 0.4815(5) 0.2437(4) 0.0351(11) Uani 1 1 d . . .
H21 H 0.8470 0.4551 0.1758 0.042 Uiso 1 1 calc R . .
C22 C 0.8437(5) 0.5716(5) 0.2784(4) 0.0365(11) Uani 1 1 d . . .
H22 H 0.8010 0.6063 0.2346 0.044 Uiso 1 1 calc R . .
C23 C 0.8772(5) 0.6145(5) 0.3782(4) 0.0336(11) Uani 1 1 d . . .
C24 C 0.9392(5) 0.5593(4) 0.4391(4) 0.0303(10) Uani 1 1 d . . .
C25 C 0.9637(5) 0.4654(4) 0.3987(4) 0.0296(10) Uani 1 1 d . . .
C26 C 1.0245(5) 0.4034(4) 0.4595(4) 0.0292(10) Uani 1 1 d . . .
C27 C 1.1407(5) 0.2878(5) 0.5770(4) 0.0363(11) Uani 1 1 d . . .
C28 C 1.2004(6) 0.2241(5) 0.6317(5) 0.0454(14) Uani 1 1 d . . .
H28 H 1.2349 0.2490 0.6990 0.054 Uiso 1 1 calc R . .
C29 C 1.2085(7) 0.1270(6) 0.5883(5) 0.0525(16) Uani 1 1 d . . .
H29 H 1.2491 0.0854 0.6258 0.063 Uiso 1 1 calc R . .
C30 C 1.1580(7) 0.0881(6) 0.4898(5) 0.0498(15) Uani 1 1 d . . .
H30 H 1.1618 0.0192 0.4610 0.060 Uiso 1 1 calc R . .
C31 C 1.1022(6) 0.1504(5) 0.4341(4) 0.0417(13) Uani 1 1 d . . .
H31 H 1.0687 0.1241 0.3668 0.050 Uiso 1 1 calc R . .
C32 C 1.0944(5) 0.2516(4) 0.4753(4) 0.0334(11) Uani 1 1 d . . .
O33 O 0.7500(6) 0.5110(6) 0.0176(4) 0.0879(19) Uani 1 1 d . . .
N34 N 0.6427(17) 0.363(2) 0.3643(17) 0.134(9) Uani 0.50 1 d P A 1
C35 C 0.5621(16) 0.314(2) 0.4007(16) 0.092(7) Uani 0.50 1 d P A 1
C36 C 0.451(2) 0.245(2) 0.444(2) 0.084(7) Uani 0.50 1 d P A 1
H36A H 0.3932 0.2867 0.4509 0.125 Uiso 0.50 1 calc PR A 1
H36B H 0.4839 0.2296 0.5081 0.125 Uiso 0.50 1 calc PR A 1
H36C H 0.4032 0.1727 0.4013 0.125 Uiso 0.50 1 calc PR A 1
N37 N 0.6357(17) 0.5038(19) 0.4903(16) 0.122(8) Uani 0.50 1 d P B 2
C38 C 0.5634(16) 0.416(2) 0.4800(16) 0.089(7) Uani 0.50 1 d P B 2
C39 C 0.463(3) 0.307(3) 0.472(3) 0.15(2) Uani 0.50 1 d P B 2
H39A H 0.4346 0.2953 0.5347 0.220 Uiso 0.50 1 calc PR B 2
H39B H 0.4964 0.2485 0.4520 0.220 Uiso 0.50 1 calc PR B 2
H39C H 0.3891 0.3029 0.4224 0.220 Uiso 0.50 1 calc PR B 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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N1 Ru N4 93.95(17) . . ?
N1 Ru N5 96.75(19) . . ?
N4 Ru N5 95.8(2) . . ?
N1 Ru N3 89.10(18) . . ?
N4 Ru N3 79.81(19) . . ?
N5 Ru N3 172.94(19) . . ?
N1 Ru N6 174.83(17) . . ?
N4 Ru N6 83.15(18) . . ?
N5 Ru N6 79.3(2) . . ?
N3 Ru N6 94.58(19) . . ?
N1 Ru N2 78.46(17) . . ?
N4 Ru N2 171.79(17) . . ?
N5 Ru N2 88.29(18) . . ?
N3 Ru N2 96.77(16) . . ?
N6 Ru N2 104.65(17) . . ?
F4 P1 F6 88.9(3) . . ?
F4 P1 F2 89.1(2) . . ?
F6 P1 F2 91.6(3) . . ?
F4 P1 F3 179.1(3) . . ?
F6 P1 F3 91.8(3) . . ?
F2 P1 F3 91.4(2) . . ?
F4 P1 F1 89.9(2) . . ?
F6 P1 F1 90.3(3) . . ?
F2 P1 F1 177.8(3) . . ?
F3 P1 F1 89.6(2) . . ?
F4 P1 F5 91.1(3) . . ?
F6 P1 F5 180.0(3) . . ?
F2 P1 F5 88.4(2) . . ?
F3 P1 F5 88.2(3) . . ?
F1 P1 F5 89.7(3) . . ?
F12 P2 F11 95.2(5) . . ?
F12 P2 F7 90.0(4) . . ?
F11 P2 F7 90.4(4) . . ?
F12 P2 F10 88.5(4) . . ?
F11 P2 F10 176.2(4) . . ?
F7 P2 F10 90.3(3) . . ?
F12 P2 F9 88.0(4) . . ?
F11 P2 F9 87.7(4) . . ?
F7 P2 F9 177.0(4) . . ?
F10 P2 F9 91.8(3) . . ?
F12 P2 F8 176.4(4) . . ?
F11 P2 F8 87.1(4) . . ?
F7 P2 F8 92.7(4) . . ?
F10 P2 F8 89.1(4) . . ?
F9 P2 F8 89.4(4) . . ?
C25 N1 C21 116.6(4) . . ?
C25 N1 Ru 115.9(3) . . ?
C21 N1 Ru 127.5(4) . . ?
C26 N2 C32 116.3(4) . . ?
C26 N2 Ru 113.0(3) . . ?
C32 N2 Ru 130.6(3) . . ?
C1 N3 C5 117.5(5) . . ?
C1 N3 Ru 127.0(4) . . ?
C5 N3 Ru 115.4(4) . . ?
C10 N4 C6 117.9(5) . . ?
C10 N4 Ru 126.7(5) . . ?
C6 N4 Ru 115.4(4) . . ?
C20 N5 C16 117.2(5) . . ?
C20 N5 Ru 127.6(4) . . ?
C16 N5 Ru 115.1(4) . . ?
C15 N6 C11 117.7(6) . . ?
C15 N6 Ru 116.5(4) . . ?
C11 N6 Ru 125.4(5) . . ?
N3 C1 C2 122.4(6) . . ?
N3 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 120.5(6) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 118.9(6) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.8(6) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 N3 121.7(5) . . ?
C4 C5 C6 123.8(6) . . ?
N3 C5 C6 114.4(5) . . ?
C7 C6 N4 121.8(5) . . ?
C7 C6 C5 123.3(6) . . ?
N4 C6 C5 114.9(5) . . ?
C6 C7 C8 118.2(6) . . ?
C6 C7 H7 120.9 . . ?
C8 C7 H7 120.9 . . ?
C9 C8 C7 121.3(7) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 117.3(6) . . ?
C8 C9 H9 121.4 . . ?
C10 C9 H9 121.4 . . ?
N4 C10 C9 123.5(6) . . ?
N4 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N6 C11 C12 119.9(7) . . ?
N6 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C13 C12 C11 119.8(7) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 119.5(7) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 119.7(8) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
N6 C15 C14 123.3(7) . . ?
N6 C15 C16 114.2(5) . . ?
C14 C15 C16 122.5(6) . . ?
C17 C16 N5 121.4(6) . . ?
C17 C16 C15 123.9(6) . . ?
N5 C16 C15 114.6(5) . . ?
C16 C17 C18 118.8(7) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 119.4(7) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 118.7(7) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 H19 120.6 . . ?
N5 C20 C19 124.5(6) . . ?
N5 C20 H20 117.8 . . ?
C19 C20 H20 117.8 . . ?
C22 C21 N1 123.0(5) . . ?
C22 C21 H21 118.5 . . ?
N1 C21 H21 118.5 . . ?
C21 C22 C23 121.1(5) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 116.7(5) . . ?
C24 C23 C27 116.8(5) . 2_766 ?
C22 C23 C27 126.4(5) . 2_766 ?
C23 C24 C25 119.4(5) . . ?
C23 C24 C26 120.4(5) . 2_766 ?
C25 C24 C26 120.2(4) . 2_766 ?
N1 C25 C24 123.2(4) . . ?
N1 C25 C26 115.6(4) . . ?
C24 C25 C26 121.3(4) . . ?
N2 C26 C24 124.6(4) . 2_766 ?
N2 C26 C25 116.9(4) . . ?
C24 C26 C25 118.5(4) 2_766 . ?
C28 C27 C32 118.9(5) . . ?
C28 C27 C23 121.8(5) . 2_766 ?
C32 C27 C23 119.4(5) . 2_766 ?
C29 C28 C27 120.5(6) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 121.0(6) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 119.6(6) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C30 C31 C32 121.1(6) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C31 C32 N2 118.9(5) . . ?
C31 C32 C27 118.8(5) . . ?
N2 C32 C27 122.3(5) . . ?
N34 C35 C36 177(3) . . ?
N37 C38 C39 175(3) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
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 N1 2.045(5) . ?
Ru N4 2.052(5) . ?
Ru N5 2.061(5) . ?
Ru N3 2.062(4) . ?
Ru N6 2.094(5) . ?
Ru N2 2.126(4) . ?
P1 F4 1.579(4) . ?
P1 F6 1.583(5) . ?
P1 F2 1.584(4) . ?
P1 F3 1.584(4) . ?
P1 F1 1.603(4) . ?
P1 F5 1.605(4) . ?
P2 F12 1.554(7) . ?
P2 F11 1.549(7) . ?
P2 F7 1.563(6) . ?
P2 F10 1.579(7) . ?
P2 F9 1.587(6) . ?
P2 F8 1.594(6) . ?
N1 C25 1.349(6) . ?
N1 C21 1.378(7) . ?
N2 C26 1.333(7) . ?
N2 C32 1.409(6) . ?
N3 C1 1.329(7) . ?
N3 C5 1.379(7) . ?
N4 C10 1.328(7) . ?
N4 C6 1.381(8) . ?
N5 C20 1.305(8) . ?
N5 C16 1.399(8) . ?
N6 C15 1.342(8) . ?
N6 C11 1.355(8) . ?
C1 C2 1.383(9) . ?
C1 H1 0.9500 . ?
C2 C3 1.340(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.487(8) . ?
C6 C7 1.380(9) . ?
C7 C8 1.393(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.357(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.410(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.439(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.355(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.344(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.516(10) . ?
C16 C17 1.381(9) . ?
C17 C18 1.410(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.351(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(10) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.355(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.407(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.399(7) . ?
C23 C27 1.433(8) 2_766 ?
C24 C25 1.406(7) . ?
C24 C26 1.413(7) 2_766 ?
C25 C26 1.454(7) . ?
C26 C24 1.413(7) 2_766 ?
C27 C28 1.417(8) . ?
C27 C32 1.423(8) . ?
C27 C23 1.433(8) 2_766 ?
C28 C29 1.367(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.386(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.401(8) . ?
C31 H31 0.9500 . ?
N34 C35 1.11(2) . ?
C35 C36 1.47(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N37 C38 1.10(3) . ?
C38 C39 1.41(3) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
