#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/26/7002631.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_7002631
loop_
_publ_author_name
'Ghosh, Amrita'
'Mandoli, Amit'
'Kumar, D. Krishna'
'Yadav, Narendra Singh'
'Ghosh, Tamal'
'Jha, Bhavanath'
'Thomas, Jim A.'
'Das, Amitava'
_publ_section_title
;
 DNA binding and cleavage properties of a newly synthesised
 Ru(II)-polypyridyl complex
;
_journal_issue                   42
_journal_name_full               'Dalton Transactions'
_journal_page_first              9312
_journal_paper_doi               10.1039/b906756f
_journal_year                    2009
_chemical_formula_sum            'C34 H26 F9 N8 O P1.5 Ru'
_chemical_formula_weight         881.15
_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                110.642(8)
_cell_angle_beta                 90.305(9)
_cell_angle_gamma                99.427(8)
_cell_formula_units_Z            2
_cell_length_a                   8.880(4)
_cell_length_b                   13.449(6)
_cell_length_c                   18.076(8)
_cell_measurement_temperature    150(2)
_cell_volume                     1988.2(15)
_computing_cell_refinement       'BRUKER AXS SMART 3'
_computing_data_collection       'BRUKER AXS SMART 3'
_computing_data_reduction        'BRUKER AXS SAINT'
_computing_molecular_graphics    'BRUKER SHELXLTL'
_computing_publication_material  'MERCURY 1.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'BRUKER SMART CCD AREA DETECTOR'
_diffrn_measurement_method       'PHI-OMEGA SCAN'
_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  0.1194
_diffrn_reflns_av_sigmaI/netI    0.3627
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10080
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    0.535
_exptl_absorpt_correction_T_max  0.9894
_exptl_absorpt_correction_T_min  0.9006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             883
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.986
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7207
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.915
_refine_ls_R_factor_all          0.2391
_refine_ls_R_factor_gt           0.1182
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1309P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2638
_refine_ls_wR_factor_ref         0.3203
_reflns_number_gt                2429
_reflns_number_total             7207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906756f.txt
_cod_data_source_block           kkag15m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C34 H26 F9 N8 O P1.50 Ru'
_cod_database_code               7002631
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
Ru1 Ru 0.04169(15) 0.88831(10) 0.21119(8) 0.0279(4) Uani 1 1 d . . .
N1 N -0.1238(10) 0.9809(7) 0.2198(6) 0.043(4) Uani 1 1 d G . .
C2 C -0.2660(11) 0.9405(6) 0.1782(6) 0.053(5) Uani 1 1 d G . .
H2 H -0.2913 0.8678 0.1469 0.064 Uiso 1 1 calc R . .
C3 C -0.3705(9) 1.0089(9) 0.1835(7) 0.053(5) Uani 1 1 d G . .
H3 H -0.4656 0.9818 0.1557 0.063 Uiso 1 1 calc R . .
C4 C -0.3327(12) 1.1176(9) 0.2304(7) 0.061(6) Uani 1 1 d G . .
H4 H -0.4026 1.1633 0.2340 0.074 Uiso 1 1 calc R . .
C5 C -0.1905(13) 1.1580(6) 0.2720(6) 0.043(4) Uani 1 1 d G . .
H5 H -0.1653 1.2308 0.3034 0.052 Uiso 1 1 calc R . .
C6 C -0.0861(10) 1.0897(8) 0.2667(6) 0.042(4) Uani 1 1 d G . .
C7 C 0.0661(10) 1.1204(9) 0.3012(6) 0.053(5) Uani 1 1 d G . .
C8 C 0.1263(14) 1.2231(8) 0.3542(7) 0.061(6) Uani 1 1 d G . .
H8 H 0.0672 1.2772 0.3673 0.074 Uiso 1 1 calc R . .
C9 C 0.2749(14) 1.2450(7) 0.3877(6) 0.061(6) Uani 1 1 d G . .
H9 H 0.3152 1.3137 0.4232 0.073 Uiso 1 1 calc R . .
C10 C 0.3632(10) 1.1642(9) 0.3682(6) 0.064(6) Uani 1 1 d G . .
H10 H 0.4626 1.1788 0.3906 0.076 Uiso 1 1 calc R . .
C11 C 0.3029(11) 1.0615(8) 0.3151(6) 0.054(5) Uani 1 1 d G . .
H11 H 0.3620 1.0074 0.3021 0.064 Uiso 1 1 calc R . .
N12 N 0.1544(11) 1.0396(7) 0.2816(5) 0.050(4) Uani 1 1 d G . .
N13 N 0.0074(12) 0.8541(8) 0.3135(4) 0.055(5) Uani 1 1 d G . .
C14 C -0.1120(11) 0.8813(8) 0.3618(6) 0.046(5) Uani 1 1 d G . .
H14 H -0.1868 0.9131 0.3470 0.056 Uiso 1 1 calc R . .
C15 C -0.1198(12) 0.8611(10) 0.4321(6) 0.071(6) Uani 1 1 d G . .
H15 H -0.1997 0.8794 0.4644 0.085 Uiso 1 1 calc R . .
C16 C -0.0081(14) 0.8137(10) 0.4542(5) 0.062(6) Uani 1 1 d G . .
H16 H -0.0133 0.8002 0.5012 0.074 Uiso 1 1 calc R . .
C17 C 0.1113(12) 0.7864(10) 0.4059(6) 0.069(6) Uani 1 1 d G . .
H17 H 0.1860 0.7546 0.4206 0.083 Uiso 1 1 calc R . .
C18 C 0.1190(10) 0.8066(8) 0.3356(6) 0.032(4) Uiso 1 1 d G . .
C19 C 0.2313(11) 0.7817(8) 0.2819(5) 0.046(5) Uani 1 1 d G . .
C20 C 0.3452(14) 0.7264(9) 0.2909(6) 0.060(5) Uani 1 1 d G . .
H20 H 0.3543 0.7104 0.3366 0.072 Uiso 1 1 calc R . .
C21 C 0.4454(11) 0.6951(8) 0.2317(8) 0.058(5) Uani 1 1 d G . .
H21 H 0.5216 0.6581 0.2377 0.069 Uiso 1 1 calc R . .
C22 C 0.4317(11) 0.7190(9) 0.1634(7) 0.052(5) Uani 1 1 d G . .
H22 H 0.4988 0.6980 0.1238 0.062 Uiso 1 1 calc R . .
C23 C 0.3178(12) 0.7743(8) 0.1544(5) 0.056(5) Uani 1 1 d G . .
H23 H 0.3087 0.7903 0.1087 0.067 Uiso 1 1 calc R . .
N24 N 0.2176(10) 0.8056(7) 0.2137(6) 0.045(4) Uani 1 1 d G . .
N25 N -0.0816(9) 0.7436(5) 0.1355(4) 0.033(3) Uiso 1 1 d G . .
C26 C -0.1619(10) 0.6612(7) 0.1568(4) 0.041(4) Uani 1 1 d G . .
H26 H -0.1754 0.6721 0.2099 0.049 Uiso 1 1 calc R . .
C27 C -0.2219(10) 0.5623(6) 0.0987(5) 0.038(4) Uani 1 1 d G . .
H27 H -0.2756 0.5071 0.1129 0.046 Uiso 1 1 calc R . .
C28 C -0.2016(10) 0.5459(6) 0.0193(5) 0.032(4) Uiso 1 1 d G . .
H28 H -0.2418 0.4798 -0.0195 0.039 Uiso 1 1 calc R . .
C29 C -0.1213(11) 0.6284(7) -0.0020(4) 0.039(4) Uani 1 1 d GD . .
C30 C -0.0613(10) 0.7273(6) 0.0561(5) 0.024(3) Uiso 1 1 d G . .
C31 C 0.0286(9) 0.8113(6) 0.0393(5) 0.030(4) Uani 1 1 d G . .
N32 N 0.0895(9) 0.9031(7) 0.1037(4) 0.027(3) Uani 1 1 d G . .
C33 C 0.1718(9) 0.9925(6) 0.0913(5) 0.034(4) Uani 1 1 d G . .
H33 H 0.2125 1.0539 0.1344 0.040 Uiso 1 1 calc R . .
C34 C 0.1931(10) 0.9901(6) 0.0146(6) 0.045(5) Uani 1 1 d G . .
H34 H 0.2481 1.0499 0.0064 0.054 Uiso 1 1 calc R . .
C35 C 0.1321(11) 0.8983(8) -0.0497(4) 0.045(4) Uani 1 1 d G . .
H35 H 0.1464 0.8967 -0.1010 0.055 Uiso 1 1 calc R . .
C36 C 0.0499(10) 0.8089(6) -0.0374(4) 0.031(4) Uani 1 1 d GD . .
C37 C -0.0094(17) 0.7149(10) -0.1016(8) 0.043(4) Uani 1 1 d D . .
N38 N -0.0151(13) 0.6900(11) -0.1754(7) 0.037(3) Uani 1 1 d . . .
C39 C -0.0860(17) 0.5754(13) -0.2116(9) 0.043(4) Uani 1 1 d D . .
O40 O 0.027(2) 0.5159(13) -0.2574(14) 0.142(7) Uani 1 1 d D . .
H40 H 0.1054 0.5585 -0.2568 0.213 Uiso 1 1 calc R . .
C41 C -0.2338(18) 0.5664(14) -0.2620(10) 0.070(6) Uani 1 1 d D . .
H41A H -0.3004 0.4993 -0.2691 0.105 Uiso 1 1 calc R . .
H41B H -0.2070 0.5688 -0.3127 0.105 Uiso 1 1 calc R . .
H41C H -0.2851 0.6253 -0.2351 0.105 Uiso 1 1 calc R . .
N42 N -0.1362(16) 0.5411(12) -0.1457(8) 0.054(4) Uani 1 1 d . . .
C43 C -0.0959(18) 0.6176(13) -0.0806(6) 0.046(5) Uani 1 1 d D . .
P44 P 0.5000 0.0000 0.5000 0.082(3) Uani 1 2 d S . .
F45 F 0.6561(12) 0.0126(9) 0.5482(6) 0.092(4) Uani 1 1 d . . .
F46 F 0.5124(15) 0.1277(10) 0.5288(8) 0.111(5) Uani 1 1 d . . .
F47 F 0.4083(15) -0.0041(13) 0.5770(8) 0.118(5) Uani 1 1 d . . .
P48 P 0.5113(5) 0.2695(4) 0.0683(3) 0.0478(13) Uani 1 1 d . A 1
F49B F 0.534(3) 0.145(2) 0.0230(18) 0.091(8) Uiso 0.47 1 d P A 1
F50A F 0.626(4) 0.285(3) 0.142(2) 0.121(11) Uiso 0.45 1 d P A 1
F51A F 0.371(2) 0.2366(16) 0.1200(12) 0.053(6) Uiso 0.48 1 d P A 1
F52A F 0.483(2) 0.3884(18) 0.1123(14) 0.067(6) Uiso 0.48 1 d P A 1
F53A F 0.383(3) 0.236(2) -0.0013(17) 0.093(9) Uiso 0.43 1 d P A 1
F54 F 0.6727(12) 0.3005(8) 0.0342(7) 0.089(4) Uani 1 1 d . A 1
F49A F 0.5496(19) 0.1695(14) 0.0843(11) 0.050(5) Uiso 0.53 1 d P B 2
F51B F 0.333(2) 0.2450(15) 0.0809(12) 0.057(6) Uiso 0.52 1 d P C 2
F50B F 0.568(3) 0.3515(19) 0.1539(13) 0.079(6) Uiso 0.55 1 d P D 2
F52B F 0.475(2) 0.3630(16) 0.0431(12) 0.066(6) Uiso 0.52 1 d P E 2
F53B F 0.472(2) 0.1826(16) -0.0222(11) 0.067(5) Uiso 0.57 1 d P F 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'
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'
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'
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'
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 Ru1 N25 97.8(4) . . ?
N1 Ru1 N32 88.5(4) . . ?
N25 Ru1 N32 80.1(3) . . ?
N1 Ru1 N12 77.9(4) . . ?
N25 Ru1 N12 174.9(4) . . ?
N32 Ru1 N12 96.9(4) . . ?
N1 Ru1 N24 174.2(4) . . ?
N25 Ru1 N24 87.4(4) . . ?
N32 Ru1 N24 94.9(4) . . ?
N12 Ru1 N24 97.1(4) . . ?
N1 Ru1 N13 98.9(4) . . ?
N25 Ru1 N13 95.7(3) . . ?
N32 Ru1 N13 171.9(4) . . ?
N12 Ru1 N13 87.8(4) . . ?
N24 Ru1 N13 77.9(4) . . ?
C2 N1 C6 120.0 . . ?
C2 N1 Ru1 122.8(6) . . ?
C6 N1 Ru1 117.1(6) . . ?
C3 C2 N1 120.0 . . ?
C3 C2 H2 120.0 . . ?
N1 C2 H2 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 N1 120.0 . . ?
C5 C6 C7 126.3(8) . . ?
N1 C6 C7 113.5(8) . . ?
C8 C7 N12 120.0 . . ?
C8 C7 C6 123.8(9) . . ?
N12 C7 C6 116.1(9) . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 N12 120.0 . . ?
C10 C11 H11 120.0 . . ?
N12 C11 H11 120.0 . . ?
C11 N12 C7 120.0 . . ?
C11 N12 Ru1 124.5(6) . . ?
C7 N12 Ru1 115.2(6) . . ?
C14 N13 C18 120.0 . . ?
C14 N13 Ru1 124.3(6) . . ?
C18 N13 Ru1 115.6(6) . . ?
C15 C14 N13 120.0 . . ?
C15 C14 H14 120.0 . . ?
N13 C14 H14 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 125.4(9) . . ?
C19 C18 N13 114.6(9) . . ?
C17 C18 N13 120.0 . . ?
C18 C19 C20 122.7(9) . . ?
C18 C19 N24 117.0(9) . . ?
C20 C19 N24 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 N24 120.0 . . ?
C22 C23 H23 120.0 . . ?
N24 C23 H23 120.0 . . ?
C23 N24 C19 120.0 . . ?
C23 N24 Ru1 125.7(6) . . ?
C19 N24 Ru1 114.3(6) . . ?
C26 N25 C30 120.0 . . ?
C26 N25 Ru1 126.6(4) . . ?
C30 N25 Ru1 112.9(4) . . ?
N25 C26 C27 120.0 . . ?
N25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 C43 123.1(8) . . ?
C30 C29 C43 116.9(8) . . ?
C29 C30 N25 120.0 . . ?
C29 C30 C31 122.9(6) . . ?
N25 C30 C31 117.0(6) . . ?
N32 C31 C36 120.0 . . ?
N32 C31 C30 116.8(6) . . ?
C36 C31 C30 123.1(6) . . ?
C31 N32 C33 120.0 . . ?
C31 N32 Ru1 113.1(4) . . ?
C33 N32 Ru1 126.9(5) . . ?
C34 C33 N32 120.0 . . ?
C34 C33 H33 120.0 . . ?
N32 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 C37 120.7(9) . . ?
C31 C36 C37 119.2(9) . . ?
N38 C37 C36 134.1(15) . . ?
N38 C37 C43 109.5(10) . . ?
C36 C37 C43 116.4(11) . . ?
C37 N38 C39 107.9(13) . . ?
O40 C39 N42 113.5(16) . . ?
O40 C39 N38 108.3(13) . . ?
N42 C39 N38 105.9(12) . . ?
O40 C39 C41 113.7(15) . . ?
N42 C39 C41 106.3(13) . . ?
N38 C39 C41 108.7(13) . . ?
C39 O40 H40 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 N42 C39 109.9(12) . . ?
N42 C43 C29 132.6(13) . . ?
N42 C43 C37 106.3(10) . . ?
C29 C43 C37 121.0(11) . . ?
F45 P44 F45 180.000(2) . 2_656 ?
F45 P44 F46 91.3(6) . . ?
F45 P44 F46 88.7(6) 2_656 . ?
F45 P44 F46 88.7(6) . 2_656 ?
F45 P44 F46 91.3(6) 2_656 2_656 ?
F46 P44 F46 180.000(2) . 2_656 ?
F45 P44 F47 90.8(7) . 2_656 ?
F45 P44 F47 89.2(6) 2_656 2_656 ?
F46 P44 F47 88.6(8) . 2_656 ?
F46 P44 F47 91.4(8) 2_656 2_656 ?
F45 P44 F47 89.2(7) . . ?
F45 P44 F47 90.8(7) 2_656 . ?
F46 P44 F47 91.4(8) . . ?
F46 P44 F47 88.6(8) 2_656 . ?
F47 P44 F47 180.000(3) 2_656 . ?
F52A P48 F53A 97.0(15) . . ?
F52A P48 F50A 88.7(15) . . ?
F53A P48 F50A 169.6(16) . . ?
F52A P48 F54 97.3(9) . . ?
F53A P48 F54 107.6(12) . . ?
F50A P48 F54 80.2(12) . . ?
F52A P48 F49B 177.8(12) . . ?
F53A P48 F49B 81.8(15) . . ?
F50A P48 F49B 92.2(17) . . ?
F54 P48 F49B 84.9(10) . . ?
F52A P48 F51A 84.2(11) . . ?
F53A P48 F51A 85.2(12) . . ?
F50A P48 F51A 86.7(14) . . ?
F54 P48 F51A 166.7(10) . . ?
F49B P48 F51A 93.9(12) . . ?
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 N1 2.050(7) . ?
Ru1 N25 2.065(6) . ?
Ru1 N32 2.062(7) . ?
Ru1 N12 2.063(7) . ?
Ru1 N24 2.069(8) . ?
Ru1 N13 2.071(7) . ?
N1 C2 1.3900 . ?
N1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3 0.9300 . ?
C4 C5 1.3900 . ?
C4 H4 0.9300 . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 C7 1.418(11) . ?
C7 C8 1.3900 . ?
C7 N12 1.3900 . ?
C8 C9 1.3900 . ?
C8 H8 0.9300 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 N12 1.3900 . ?
C11 H11 0.9300 . ?
N13 C14 1.3900 . ?
N13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9300 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16 0.9300 . ?
C17 C18 1.3900 . ?
C17 H17 0.9300 . ?
C18 C19 1.391(11) . ?
C19 C20 1.3900 . ?
C19 N24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 N24 1.3900 . ?
C23 H23 0.9300 . ?
N25 C26 1.3900 . ?
N25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 C43 1.400(9) . ?
C30 C31 1.398(8) . ?
C31 N32 1.3900 . ?
C31 C36 1.3900 . ?
N32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C33 H33 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34 0.9300 . ?
C35 C36 1.3900 . ?
C35 H35 0.9300 . ?
C36 C37 1.401(9) . ?
C37 N38 1.254(17) . ?
C37 C43 1.57(2) . ?
N38 C39 1.472(19) . ?
C39 O40 1.465(9) . ?
C39 N42 1.468(19) . ?
C39 C41 1.556(9) . ?
O40 H40 0.8200 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
N42 C43 1.262(17) . ?
P44 F45 1.586(9) . ?
P44 F45 1.586(9) 2_656 ?
P44 F46 1.594(13) . ?
P44 F46 1.594(13) 2_656 ?
P44 F47 1.629(14) 2_656 ?
P44 F47 1.629(14) . ?
P48 F52A 1.58(2) . ?
P48 F53A 1.59(3) . ?
P48 F50A 1.61(3) . ?
P48 F54 1.613(10) . ?
P48 F49B 1.63(3) . ?
P48 F51A 1.65(2) . ?
