#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:50:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179734 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/30/7003063.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_7003063
loop_
_publ_author_name
'Rajendiran, Venugopal'
'Murali, Mariappan'
'Suresh, Eringathodi'
'Sinha, Sarika'
'Somasundaram, Kumaravel'
'Palaniandavar, Mallayan'
_publ_section_title
;
 Mixed ligand ruthenium(ii) complexes of
 bis(pyrid-2-yl)-/bis(benzimidazol-2-yl)-dithioether and diimines:
 Study of non-covalent DNA binding and cytotoxicity
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              148
_journal_paper_doi               10.1039/b710578a
_journal_year                    2008
_chemical_formula_sum            'C34 H35 F12 N7 O P2 Ru S2'
_chemical_formula_weight         1012.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 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                 115.44(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.886(4)
_cell_length_b                   18.276(8)
_cell_length_c                   16.665(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4094(2)
_computing_molecular_graphics    ZORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.863
_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  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0740
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6720
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    0.657
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2040
_refine_diff_density_max         0.909
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         6422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.1276
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0439P)²+41.2994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.2064
_reflns_number_gt                4095
_reflns_number_total             6422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710578a.txt
_cod_data_source_block           sag
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0439P)^2^+41.2994P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0439P)^2^+41.2994P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P21/a
_cod_database_code               7003063
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.78564(6) 0.91385(4) 0.26299(5) 0.0320(2) Uani 1 d . . .
N1 N 0.8244(6) 0.9191(5) 0.1553(5) 0.0363(19) Uani 1 d . . .
N2 N 0.8748(7) 0.9661(5) 0.0591(6) 0.051(2) Uani 1 d . . .
H2 H 0.9018 0.9960 0.0362 0.062(6) Uiso 1 calc R . .
N3 N 0.7537(6) 0.9047(5) 0.3760(5) 0.039(2) Uani 1 d . . .
N4 N 0.7288(8) 0.8516(6) 0.4839(7) 0.068(3) Uani 1 d . . .
H4 H 0.7221 0.8175 0.5165 0.062(6) Uiso 1 calc R . .
N5 N 0.6387(6) 0.8760(4) 0.1840(5) 0.0365(19) Uani 1 d . . .
N6 N 0.7082(6) 1.0129(4) 0.2187(5) 0.0344(19) Uani 1 d . . .
S1 S 0.8684(2) 0.80221(14) 0.29345(17) 0.0440(7) Uani 1 d . . .
S2 S 0.9347(2) 0.96725(17) 0.35591(18) 0.0499(7) Uani 1 d . . .
C1 C 0.7354(9) 1.0348(6) 0.4233(7) 0.055(3) Uani 1 d . . .
H1 H 0.7459 1.0589 0.3788 0.062(6) Uiso 1 calc R . .
C2 C 0.7160(10) 1.0737(7) 0.4839(9) 0.068(4) Uani 1 d . . .
H2A H 0.7113 1.1245 0.4797 0.062(6) Uiso 1 calc R . .
C3 C 0.7033(12) 1.0382(9) 0.5514(10) 0.088(5) Uani 1 d . . .
H3 H 0.6917 1.0661 0.5927 0.062(6) Uiso 1 calc R . .
C4 C 0.7072(12) 0.9642(9) 0.5600(9) 0.084(5) Uani 1 d . . .
H4A H 0.6991 0.9408 0.6060 0.062(6) Uiso 1 calc R . .
C5 C 0.7239(9) 0.9260(7) 0.4966(7) 0.060(3) Uani 1 d . . .
C6 C 0.7394(7) 0.9599(6) 0.4284(6) 0.042(3) Uani 1 d . . .
C7 C 0.7459(8) 0.8418(6) 0.4125(7) 0.050(3) Uani 1 d . . .
C8 C 0.7569(9) 0.7663(6) 0.3850(8) 0.059(3) Uani 1 d . . .
H8A H 0.7034 0.7568 0.3268 0.062(6) Uiso 1 calc R . .
H8B H 0.7501 0.7319 0.4264 0.062(6) Uiso 1 calc R . .
C9 C 0.8544(9) 0.7525(6) 0.3810(7) 0.054(3) Uani 1 d . . .
H9A H 0.8604 0.7006 0.3725 0.062(6) Uiso 1 calc R . .
H9B H 0.9081 0.7661 0.4376 0.062(6) Uiso 1 calc R . .
C10 C 0.9992(8) 0.8265(7) 0.3539(9) 0.065(4) Uani 1 d . . .
H10A H 1.0356 0.7849 0.3888 0.062(6) Uiso 1 calc R . .
H10B H 1.0262 0.8382 0.3118 0.062(6) Uiso 1 calc R . .
C11 C 1.0131(9) 0.8908(7) 0.4143(8) 0.070(4) Uani 1 d . . .
H11A H 1.0822 0.9060 0.4395 0.062(6) Uiso 1 calc R . .
H11B H 0.9974 0.8762 0.4628 0.062(6) Uiso 1 calc R . .
C12 C 1.0034(9) 0.9976(7) 0.2959(8) 0.063(3) Uani 1 d . . .
H12A H 1.0497 1.0353 0.3307 0.062(6) Uiso 1 calc R . .
H12B H 1.0422 0.9568 0.2907 0.062(6) Uiso 1 calc R . .
C13 C 0.9408(9) 1.0280(7) 0.2032(8) 0.057(3) Uani 1 d . . .
H13A H 0.8986 1.0667 0.2074 0.062(6) Uiso 1 calc R . .
H13B H 0.9847 1.0491 0.1801 0.062(6) Uiso 1 calc R . .
C14 C 0.8780(8) 0.9716(6) 0.1406(7) 0.045(3) Uani 1 d . . .
C15 C 0.8216(7) 0.9049(6) 0.0185(7) 0.042(2) Uani 1 d . . .
C16 C 0.7902(7) 0.8742(6) 0.0783(6) 0.037(2) Uani 1 d . . .
C17 C 0.7380(8) 0.8086(6) 0.0591(6) 0.045(3) Uani 1 d . . .
H17 H 0.7193 0.7860 0.0996 0.062(6) Uiso 1 calc R . .
C18 C 0.7155(8) 0.7789(6) -0.0233(8) 0.054(3) Uani 1 d . . .
H18 H 0.6800 0.7353 -0.0386 0.062(6) Uiso 1 calc R . .
C19 C 0.7436(9) 0.8115(7) -0.0846(7) 0.057(3) Uani 1 d . . .
H19 H 0.7253 0.7897 -0.1399 0.062(6) Uiso 1 calc R . .
C20 C 0.7981(9) 0.8756(7) -0.0647(7) 0.059(3) Uani 1 d . . .
H20 H 0.8179 0.8977 -0.1048 0.062(6) Uiso 1 calc R . .
C21 C 0.7420(8) 1.0813(6) 0.2327(7) 0.048(3) Uani 1 d . . .
H21 H 0.8090 1.0889 0.2695 0.062(6) Uiso 1 calc R . .
C22 C 0.6835(10) 1.1410(6) 0.1958(8) 0.058(3) Uani 1 d . . .
H22 H 0.7115 1.1876 0.2072 0.062(6) Uiso 1 calc R . .
C23 C 0.5858(10) 1.1331(7) 0.1433(8) 0.059(3) Uani 1 d . . .
H23 H 0.5463 1.1741 0.1197 0.062(6) Uiso 1 calc R . .
C24 C 0.5441(9) 1.0641(6) 0.1242(7) 0.046(3) Uani 1 d . . .
C25 C 0.6093(8) 1.0055(5) 0.1647(6) 0.035(2) Uani 1 d . . .
C26 C 0.5721(7) 0.9309(5) 0.1483(6) 0.037(2) Uani 1 d . . .
C27 C 0.4697(8) 0.9193(7) 0.0965(7) 0.049(3) Uani 1 d . . .
C28 C 0.4353(8) 0.8471(7) 0.0823(7) 0.055(3) Uani 1 d . . .
H28 H 0.3685 0.8364 0.0483 0.062(6) Uiso 1 calc R . .
C29 C 0.5040(9) 0.7928(6) 0.1205(8) 0.058(3) Uani 1 d . . .
H29 H 0.4829 0.7443 0.1138 0.062(6) Uiso 1 calc R . .
C30 C 0.6036(8) 0.8084(6) 0.1685(7) 0.044(3) Uani 1 d . . .
H30 H 0.6480 0.7697 0.1910 0.062(6) Uiso 1 calc R . .
C31 C 0.4064(9) 0.9818(7) 0.0585(7) 0.057(3) Uani 1 d . . .
H31 H 0.3387 0.9746 0.0239 0.062(6) Uiso 1 calc R . .
C32 C 0.4430(10) 1.0495(8) 0.0721(8) 0.067(4) Uani 1 d . . .
H32 H 0.4000 1.0885 0.0463 0.062(6) Uiso 1 calc R . .
P1 P 1.0021(4) 1.2393(3) 0.3240(3) 0.0873(13) Uani 1 d . . .
P2 P 0.6586(2) 0.58958(18) 0.1476(2) 0.0546(8) Uani 1 d . . .
F1 F 0.7395(6) 0.5596(6) 0.1206(7) 0.121(4) Uani 1 d . . .
F2 F 0.6855(10) 0.5286(6) 0.2176(8) 0.162(5) Uani 1 d . . .
F3 F 0.5805(6) 0.5378(6) 0.0774(7) 0.120(4) Uani 1 d . . .
F4 F 0.5764(6) 0.6179(4) 0.1755(6) 0.094(3) Uani 1 d . . .
F5 F 0.7343(8) 0.6426(7) 0.2154(9) 0.178(6) Uani 1 d . . .
F6 F 0.6307(10) 0.6529(6) 0.0809(8) 0.164(5) Uani 1 d . . .
F7 F 0.9185(13) 1.2032(7) 0.2541(13) 0.286(12) Uani 1 d . . .
F8 F 1.0658(17) 1.1931(14) 0.2989(19) 0.330(15) Uani 1 d . . .
F9 F 0.9973(19) 1.1749(8) 0.3791(12) 0.269(10) Uani 1 d . . .
F10 F 0.9302(17) 1.2804(11) 0.3451(19) 0.297(13) Uani 1 d . . .
F11 F 1.0020(16) 1.3047(8) 0.2751(11) 0.253(10) Uani 1 d . . .
F12 F 1.0776(17) 1.2680(9) 0.4035(11) 0.322(15) Uani 1 d . . .
O1 O 0.7020(11) 0.7351(7) 0.5832(8) 0.139(5) Uani 1 d . . .
C33 C 0.9576(13) 0.4965(12) 0.3087(12) 0.116(6) Uani 1 d . . .
H33A H 0.8871 0.4917 0.2892 0.18(5) Uiso 1 calc R . .
H33B H 0.9918 0.4714 0.3643 0.18(5) Uiso 1 calc R . .
H33C H 0.9760 0.4755 0.2651 0.18(5) Uiso 1 calc R . .
C34 C 0.9848(14) 0.5739(13) 0.3202(13) 0.096(6) Uani 1 d . . .
N7 N 1.0038(13) 0.6335(11) 0.3287(12) 0.131(7) Uani 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
N6 Ru1 N1 88.4(3) . . ?
N6 Ru1 N5 78.4(3) . . ?
N1 Ru1 N5 94.1(3) . . ?
N6 Ru1 N3 94.7(3) . . ?
N1 Ru1 N3 176.7(3) . . ?
N5 Ru1 N3 87.8(3) . . ?
N6 Ru1 S2 95.5(2) . . ?
N1 Ru1 S2 90.9(2) . . ?
N5 Ru1 S2 171.9(2) . . ?
N3 Ru1 S2 87.5(2) . . ?
N6 Ru1 S1 172.7(2) . . ?
N1 Ru1 S1 85.0(2) . . ?
N5 Ru1 S1 99.1(2) . . ?
N3 Ru1 S1 92.1(2) . . ?
S2 Ru1 S1 87.60(11) . . ?
C14 N1 C16 105.0(8) . . ?
C14 N1 Ru1 126.2(7) . . ?
C16 N1 Ru1 128.3(6) . . ?
C14 N2 C15 108.9(9) . . ?
C7 N3 C6 105.6(8) . . ?
C7 N3 Ru1 124.6(7) . . ?
C6 N3 Ru1 129.7(7) . . ?
C7 N4 C5 108.1(10) . . ?
C30 N5 C26 116.8(9) . . ?
C30 N5 Ru1 129.8(7) . . ?
C26 N5 Ru1 113.3(6) . . ?
C21 N6 C25 115.4(8) . . ?
C21 N6 Ru1 129.7(7) . . ?
C25 N6 Ru1 114.8(6) . . ?
C9 S1 C10 98.2(6) . . ?
C9 S1 Ru1 112.6(4) . . ?
C10 S1 Ru1 104.3(4) . . ?
C12 S2 C11 98.5(6) . . ?
C12 S2 Ru1 111.7(4) . . ?
C11 S2 Ru1 104.2(4) . . ?
C2 C1 C6 119.4(12) . . ?
C1 C2 C3 120.3(12) . . ?
C4 C3 C2 122.7(12) . . ?
C3 C4 C5 115.9(13) . . ?
C4 C5 N4 130.9(12) . . ?
C4 C5 C6 123.2(13) . . ?
N4 C5 C6 105.8(9) . . ?
C1 C6 C5 118.3(10) . . ?
C1 C6 N3 133.7(10) . . ?
C5 C6 N3 108.0(10) . . ?
N3 C7 N4 112.4(10) . . ?
N3 C7 C8 128.2(10) . . ?
N4 C7 C8 119.3(10) . . ?
C7 C8 C9 114.0(10) . . ?
C8 C9 S1 113.6(8) . . ?
C11 C10 S1 111.6(8) . . ?
C10 C11 S2 111.8(8) . . ?
C13 C12 S2 115.5(8) . . ?
C14 C13 C12 112.8(10) . . ?
N1 C14 N2 111.5(9) . . ?
N1 C14 C13 128.1(9) . . ?
N2 C14 C13 120.2(9) . . ?
N2 C15 C20 131.0(10) . . ?
N2 C15 C16 106.1(9) . . ?
C20 C15 C16 123.0(11) . . ?
C15 C16 C17 120.8(10) . . ?
C15 C16 N1 108.3(9) . . ?
C17 C16 N1 130.9(9) . . ?
C18 C17 C16 116.2(10) . . ?
C17 C18 C19 122.8(11) . . ?
C20 C19 C18 121.0(10) . . ?
C19 C20 C15 116.0(11) . . ?
N6 C21 C22 123.5(11) . . ?
C23 C22 C21 120.6(11) . . ?
C22 C23 C24 120.1(11) . . ?
C23 C24 C32 124.9(11) . . ?
C23 C24 C25 115.8(10) . . ?
C32 C24 C25 119.2(11) . . ?
N6 C25 C24 124.5(9) . . ?
N6 C25 C26 115.8(8) . . ?
C24 C25 C26 119.7(9) . . ?
N5 C26 C27 123.6(9) . . ?
N5 C26 C25 117.6(8) . . ?
C27 C26 C25 118.8(9) . . ?
C28 C27 C26 117.9(10) . . ?
C28 C27 C31 123.4(10) . . ?
C26 C27 C31 118.7(11) . . ?
C29 C28 C27 117.3(10) . . ?
C28 C29 C30 121.4(11) . . ?
N5 C30 C29 122.9(10) . . ?
C32 C31 C27 121.3(11) . . ?
C31 C32 C24 122.2(11) . . ?
F12 P1 F11 91.7(10) . . ?
F12 P1 F7 169.2(15) . . ?
F11 P1 F7 97.5(10) . . ?
F12 P1 F8 97.4(15) . . ?
F11 P1 F8 99.1(14) . . ?
F7 P1 F8 86.8(12) . . ?
F12 P1 F10 87.4(14) . . ?
F11 P1 F10 83.6(11) . . ?
F7 P1 F10 87.9(14) . . ?
F8 P1 F10 174.4(13) . . ?
F12 P1 F9 86.9(11) . . ?
F11 P1 F9 174.9(12) . . ?
F7 P1 F9 83.4(11) . . ?
F8 P1 F9 85.9(13) . . ?
F10 P1 F9 91.4(12) . . ?
F6 P2 F2 177.1(7) . . ?
F6 P2 F5 86.7(8) . . ?
F2 P2 F5 91.6(8) . . ?
F6 P2 F1 93.4(6) . . ?
F2 P2 F1 89.0(6) . . ?
F5 P2 F1 91.2(6) . . ?
F6 P2 F3 91.8(7) . . ?
F2 P2 F3 89.8(7) . . ?
F5 P2 F3 178.4(7) . . ?
F1 P2 F3 89.4(5) . . ?
F6 P2 F4 87.9(6) . . ?
F2 P2 F4 89.7(6) . . ?
F5 P2 F4 89.6(5) . . ?
F1 P2 F4 178.5(6) . . ?
F3 P2 F4 89.8(4) . . ?
N7 C34 C33 179(2) . . ?
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 N6 2.103(7) . ?
Ru1 N1 2.110(7) . ?
Ru1 N5 2.126(8) . ?
Ru1 N3 2.138(8) . ?
Ru1 S2 2.307(3) . ?
Ru1 S1 2.324(3) . ?
N1 C14 1.337(12) . ?
N1 C16 1.421(12) . ?
N2 C14 1.342(13) . ?
N2 C15 1.368(13) . ?
N3 C7 1.328(13) . ?
N3 C6 1.409(12) . ?
N4 C7 1.331(13) . ?
N4 C5 1.384(15) . ?
N5 C30 1.324(12) . ?
N5 C26 1.355(12) . ?
N6 C21 1.329(12) . ?
N6 C25 1.363(12) . ?
S1 C9 1.805(11) . ?
S1 C10 1.821(12) . ?
S2 C12 1.797(12) . ?
S2 C11 1.812(12) . ?
C1 C2 1.364(15) . ?
C1 C6 1.372(15) . ?
C2 C3 1.380(18) . ?
C3 C4 1.360(19) . ?
C4 C5 1.374(16) . ?
C5 C6 1.398(15) . ?
C7 C8 1.486(15) . ?
C8 C9 1.501(15) . ?
C10 C11 1.503(16) . ?
C12 C13 1.525(16) . ?
C13 C14 1.479(15) . ?
C15 C20 1.384(14) . ?
C15 C16 1.389(13) . ?
C16 C17 1.389(14) . ?
C17 C18 1.376(14) . ?
C18 C19 1.393(15) . ?
C19 C20 1.383(16) . ?
C21 C22 1.366(14) . ?
C22 C23 1.345(16) . ?
C23 C24 1.380(16) . ?
C24 C32 1.404(17) . ?
C24 C25 1.408(13) . ?
C25 C26 1.452(13) . ?
C26 C27 1.408(14) . ?
C27 C28 1.397(15) . ?
C27 C31 1.443(15) . ?
C28 C29 1.370(15) . ?
C29 C30 1.378(15) . ?
C31 C32 1.333(17) . ?
P1 F12 1.419(12) . ?
P1 F11 1.447(12) . ?
P1 F7 1.448(13) . ?
P1 F8 1.459(17) . ?
P1 F10 1.468(14) . ?
P1 F9 1.513(14) . ?
P2 F6 1.533(10) . ?
P2 F2 1.537(10) . ?
P2 F5 1.546(10) . ?
P2 F1 1.553(8) . ?
P2 F3 1.563(8) . ?
P2 F4 1.572(8) . ?
C33 C34 1.46(2) . ?
C34 N7 1.12(2) . ?
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
N6 Ru1 N1 C14 61.4(8) . . . . ?
N5 Ru1 N1 C14 139.7(8) . . . . ?
N3 Ru1 N1 C14 -95(6) . . . . ?
S2 Ru1 N1 C14 -34.0(8) . . . . ?
S1 Ru1 N1 C14 -121.5(8) . . . . ?
N6 Ru1 N1 C16 -110.0(8) . . . . ?
N5 Ru1 N1 C16 -31.7(8) . . . . ?
N3 Ru1 N1 C16 94(5) . . . . ?
S2 Ru1 N1 C16 154.5(7) . . . . ?
S1 Ru1 N1 C16 67.0(7) . . . . ?
N6 Ru1 N3 C7 150.9(8) . . . . ?
N1 Ru1 N3 C7 -53(6) . . . . ?
N5 Ru1 N3 C7 72.7(9) . . . . ?
S2 Ru1 N3 C7 -113.8(8) . . . . ?
S1 Ru1 N3 C7 -26.3(8) . . . . ?
N6 Ru1 N3 C6 -30.9(8) . . . . ?
N1 Ru1 N3 C6 125(5) . . . . ?
N5 Ru1 N3 C6 -109.2(8) . . . . ?
S2 Ru1 N3 C6 64.3(8) . . . . ?
S1 Ru1 N3 C6 151.8(8) . . . . ?
N6 Ru1 N5 C30 -178.1(9) . . . . ?
N1 Ru1 N5 C30 94.4(9) . . . . ?
N3 Ru1 N5 C30 -82.9(9) . . . . ?
S2 Ru1 N5 C30 -136.7(14) . . . . ?
S1 Ru1 N5 C30 8.9(9) . . . . ?
N6 Ru1 N5 C26 -1.4(6) . . . . ?
N1 Ru1 N5 C26 -88.8(7) . . . . ?
N3 Ru1 N5 C26 93.9(7) . . . . ?
S2 Ru1 N5 C26 40.1(19) . . . . ?
S1 Ru1 N5 C26 -174.4(6) . . . . ?
N1 Ru1 N6 C21 -82.8(9) . . . . ?
N5 Ru1 N6 C21 -177.4(9) . . . . ?
N3 Ru1 N6 C21 95.8(9) . . . . ?
S2 Ru1 N6 C21 7.9(9) . . . . ?
S1 Ru1 N6 C21 -106.7(18) . . . . ?
N1 Ru1 N6 C25 94.3(6) . . . . ?
N5 Ru1 N6 C25 -0.3(6) . . . . ?
N3 Ru1 N6 C25 -87.1(6) . . . . ?
S2 Ru1 N6 C25 -175.0(6) . . . . ?
S1 Ru1 N6 C25 70(2) . . . . ?
N6 Ru1 S1 C9 -148.8(19) . . . . ?
N1 Ru1 S1 C9 -172.8(5) . . . . ?
N5 Ru1 S1 C9 -79.3(5) . . . . ?
N3 Ru1 S1 C9 8.7(5) . . . . ?
S2 Ru1 S1 C9 96.1(4) . . . . ?
N6 Ru1 S1 C10 105.8(19) . . . . ?
N1 Ru1 S1 C10 81.8(5) . . . . ?
N5 Ru1 S1 C10 175.3(5) . . . . ?
N3 Ru1 S1 C10 -96.7(5) . . . . ?
S2 Ru1 S1 C10 -9.3(5) . . . . ?
N6 Ru1 S2 C12 -81.3(5) . . . . ?
N1 Ru1 S2 C12 7.1(5) . . . . ?
N5 Ru1 S2 C12 -121.9(16) . . . . ?
N3 Ru1 S2 C12 -175.7(5) . . . . ?
S1 Ru1 S2 C12 92.1(5) . . . . ?
N6 Ru1 S2 C11 173.3(5) . . . . ?
N1 Ru1 S2 C11 -98.3(5) . . . . ?
N5 Ru1 S2 C11 132.7(16) . . . . ?
N3 Ru1 S2 C11 78.9(5) . . . . ?
S1 Ru1 S2 C11 -13.3(5) . . . . ?
C6 C1 C2 C3 2(2) . . . . ?
C1 C2 C3 C4 -1(2) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C3 C4 C5 N4 -177.6(14) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C7 N4 C5 C4 179.5(14) . . . . ?
C7 N4 C5 C6 -0.2(14) . . . . ?
C2 C1 C6 C5 -0.4(17) . . . . ?
C2 C1 C6 N3 177.3(11) . . . . ?
C4 C5 C6 C1 -1.7(19) . . . . ?
N4 C5 C6 C1 178.1(10) . . . . ?
C4 C5 C6 N3 -179.9(12) . . . . ?
N4 C5 C6 N3 -0.1(13) . . . . ?
C7 N3 C6 C1 -177.4(12) . . . . ?
Ru1 N3 C6 C1 4.1(17) . . . . ?
C7 N3 C6 C5 0.4(11) . . . . ?
Ru1 N3 C6 C5 -178.0(7) . . . . ?
C6 N3 C7 N4 -0.6(12) . . . . ?
Ru1 N3 C7 N4 177.9(7) . . . . ?
C6 N3 C7 C8 -178.5(12) . . . . ?
Ru1 N3 C7 C8 0.0(16) . . . . ?
C5 N4 C7 N3 0.5(14) . . . . ?
C5 N4 C7 C8 178.6(11) . . . . ?
N3 C7 C8 C9 55.8(16) . . . . ?
N4 C7 C8 C9 -121.9(12) . . . . ?
C7 C8 C9 S1 -68.0(12) . . . . ?
C10 S1 C9 C8 140.7(9) . . . . ?
Ru1 S1 C9 C8 31.4(10) . . . . ?
C9 S1 C10 C11 -79.4(10) . . . . ?
Ru1 S1 C10 C11 36.6(10) . . . . ?
S1 C10 C11 S2 -51.8(12) . . . . ?
C12 S2 C11 C10 -75.0(10) . . . . ?
Ru1 S2 C11 C10 40.1(10) . . . . ?
C11 S2 C12 C13 145.1(9) . . . . ?
Ru1 S2 C12 C13 36.0(10) . . . . ?
S2 C12 C13 C14 -66.8(12) . . . . ?
C16 N1 C14 N2 4.0(11) . . . . ?
Ru1 N1 C14 N2 -169.0(7) . . . . ?
C16 N1 C14 C13 -171.9(11) . . . . ?
Ru1 N1 C14 C13 15.0(16) . . . . ?
C15 N2 C14 N1 -3.5(12) . . . . ?
C15 N2 C14 C13 172.8(10) . . . . ?
C12 C13 C14 N1 42.6(16) . . . . ?
C12 C13 C14 N2 -133.0(11) . . . . ?
C14 N2 C15 C20 -179.6(11) . . . . ?
C14 N2 C15 C16 1.4(12) . . . . ?
N2 C15 C16 C17 -176.7(9) . . . . ?
C20 C15 C16 C17 4.2(16) . . . . ?
N2 C15 C16 N1 1.0(11) . . . . ?
C20 C15 C16 N1 -178.1(10) . . . . ?
C14 N1 C16 C15 -3.0(10) . . . . ?
Ru1 N1 C16 C15 169.8(6) . . . . ?
C14 N1 C16 C17 174.4(10) . . . . ?
Ru1 N1 C16 C17 -12.8(15) . . . . ?
C15 C16 C17 C18 -3.2(14) . . . . ?
N1 C16 C17 C18 179.6(10) . . . . ?
C16 C17 C18 C19 0.6(16) . . . . ?
C17 C18 C19 C20 1.3(18) . . . . ?
C18 C19 C20 C15 -0.5(18) . . . . ?
N2 C15 C20 C19 179.0(11) . . . . ?
C16 C15 C20 C19 -2.1(17) . . . . ?
C25 N6 C21 C22 -0.5(15) . . . . ?
Ru1 N6 C21 C22 176.6(8) . . . . ?
N6 C21 C22 C23 1.1(18) . . . . ?
C21 C22 C23 C24 -1.6(18) . . . . ?
C22 C23 C24 C32 178.4(11) . . . . ?
C22 C23 C24 C25 1.6(17) . . . . ?
C21 N6 C25 C24 0.5(14) . . . . ?
Ru1 N6 C25 C24 -177.1(8) . . . . ?
C21 N6 C25 C26 179.4(8) . . . . ?
Ru1 N6 C25 C26 1.8(10) . . . . ?
C23 C24 C25 N6 -1.0(15) . . . . ?
C32 C24 C25 N6 -178.0(10) . . . . ?
C23 C24 C25 C26 -179.9(9) . . . . ?
C32 C24 C25 C26 3.1(15) . . . . ?
C30 N5 C26 C27 -0.3(14) . . . . ?
Ru1 N5 C26 C27 -177.5(8) . . . . ?
C30 N5 C26 C25 180.0(9) . . . . ?
Ru1 N5 C26 C25 2.8(11) . . . . ?
N6 C25 C26 N5 -3.1(13) . . . . ?
C24 C25 C26 N5 175.8(9) . . . . ?
N6 C25 C26 C27 177.1(8) . . . . ?
C24 C25 C26 C27 -3.9(14) . . . . ?
N5 C26 C27 C28 0.9(15) . . . . ?
C25 C26 C27 C28 -179.4(9) . . . . ?
N5 C26 C27 C31 -177.2(9) . . . . ?
C25 C26 C27 C31 2.5(14) . . . . ?
C26 C27 C28 C29 0.3(16) . . . . ?
C31 C27 C28 C29 178.3(11) . . . . ?
C27 C28 C29 C30 -2.1(18) . . . . ?
C26 N5 C30 C29 -1.6(15) . . . . ?
Ru1 N5 C30 C29 175.1(8) . . . . ?
C28 C29 C30 N5 2.9(18) . . . . ?
C28 C27 C31 C32 -178.4(12) . . . . ?
C26 C27 C31 C32 -0.4(17) . . . . ?
C27 C31 C32 C24 -0.5(19) . . . . ?
C23 C24 C32 C31 -177.7(12) . . . . ?
C25 C24 C32 C31 -1.0(18) . . . . ?
