#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/36/7013684.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_7013684
loop_
_publ_author_name
'O'Brien, Luke'
'Duati, Marco'
'Rau, Sven'
'Guckian, Adrian L.'
'Keyes, Tia E.'
'O'Boyle, Noel M'
'Serr, Andreas'
'Görls, Helmar'
'Vos, Johannes G.'
_publ_section_title
;
 Synthesis and characterisation of ruthenium complexes containing a
 pendent catechol ring.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              514
_journal_page_last               522
_journal_paper_doi               10.1039/b311989k
_journal_year                    2004
_chemical_formula_sum            'C35 H31 F6 N8 O3 P Ru'
_chemical_formula_weight         857.72
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.599(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1165(9)
_cell_length_b                   18.068(1)
_cell_length_c                   21.424(1)
_cell_measurement_temperature    183(2)
_cell_volume                     3505.5(4)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7295
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_T_max  0.8938
_exptl_absorpt_correction_T_min  0.8375
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.167
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         7105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.191
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0871P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                4810
_reflns_number_total             7105
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b311989k.txt
_cod_data_source_block           FO895
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom/difmap' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C35 H29 F6 N8 O2 P Ru * H2 O'
_cod_database_code               7013684
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
Ru Ru 0.85097(3) 0.183930(18) 0.812679(16) 0.03629(12) Uani 1 1 d . . .
N1A N 0.8967(4) 0.25132(19) 0.88999(17) 0.0402(8) Uani 1 1 d . . .
N2A N 0.7407(4) 0.27840(19) 0.78293(17) 0.0412(8) Uani 1 1 d . . .
C1A C 0.9883(5) 0.2373(3) 0.9413(2) 0.0467(11) Uani 1 1 d . . .
H1AA H 1.0497 0.1947 0.9420 0.056 Uiso 1 1 calc R . .
C2A C 0.9978(6) 0.2826(3) 0.9939(3) 0.0639(14) Uani 1 1 d . . .
H2AA H 1.0652 0.2715 1.0299 0.077 Uiso 1 1 calc R . .
C3A C 0.9082(7) 0.3436(3) 0.9930(3) 0.0675(15) Uani 1 1 d . . .
H3AA H 0.9111 0.3746 1.0290 0.081 Uiso 1 1 calc R . .
C4A C 0.8153(6) 0.3594(3) 0.9405(3) 0.0597(13) Uani 1 1 d . . .
H4AA H 0.7534 0.4018 0.9394 0.072 Uiso 1 1 calc R . .
C5A C 0.8111(5) 0.3142(2) 0.8890(2) 0.0460(10) Uani 1 1 d . . .
C6A C 0.7256(5) 0.3295(2) 0.8272(2) 0.0455(11) Uani 1 1 d . . .
C7A C 0.6398(5) 0.3922(3) 0.8143(3) 0.0553(13) Uani 1 1 d . . .
H7AA H 0.6251 0.4262 0.8468 0.066 Uiso 1 1 calc R . .
C8A C 0.5765(5) 0.4047(3) 0.7539(3) 0.0629(15) Uani 1 1 d . . .
H8AA H 0.5180 0.4475 0.7443 0.075 Uiso 1 1 calc R . .
C9A C 0.5980(6) 0.3552(3) 0.7081(3) 0.0607(14) Uani 1 1 d . . .
H9AA H 0.5578 0.3639 0.6658 0.073 Uiso 1 1 calc R . .
C10A C 0.6787(5) 0.2923(3) 0.7237(2) 0.0508(12) Uani 1 1 d . . .
H10A H 0.6915 0.2573 0.6917 0.061 Uiso 1 1 calc R . .
N1B N 1.0297(4) 0.2085(2) 0.76661(18) 0.0425(8) Uani 1 1 d . . .
N2B N 0.8008(4) 0.12713(19) 0.73056(17) 0.0458(9) Uani 1 1 d . . .
C1B C 1.1398(5) 0.2549(3) 0.7874(2) 0.0499(11) Uani 1 1 d . . .
H1BA H 1.1343 0.2818 0.8251 0.060 Uiso 1 1 calc R . .
C2B C 1.2592(6) 0.2639(3) 0.7552(3) 0.0660(15) Uani 1 1 d . . .
H2BA H 1.3339 0.2985 0.7698 0.079 Uiso 1 1 calc R . .
C3B C 1.2721(6) 0.2250(4) 0.7038(3) 0.0802(18) Uani 1 1 d . . .
H3BA H 1.3581 0.2300 0.6829 0.096 Uiso 1 1 calc R . .
C4B C 1.1596(7) 0.1764(4) 0.6799(3) 0.0750(18) Uani 1 1 d . . .
H4BA H 1.1668 0.1484 0.6428 0.090 Uiso 1 1 calc R . .
C5B C 1.0373(6) 0.1707(3) 0.7126(2) 0.0517(12) Uani 1 1 d . . .
C6B C 0.9047(6) 0.1282(2) 0.6912(2) 0.0518(12) Uani 1 1 d . . .
C7B C 0.8751(8) 0.0957(3) 0.6316(3) 0.0741(17) Uani 1 1 d . . .
H7BA H 0.9485 0.0966 0.6035 0.089 Uiso 1 1 calc R . .
C8B C 0.7436(9) 0.0632(3) 0.6137(3) 0.085(2) Uani 1 1 d . . .
H8BA H 0.7241 0.0415 0.5732 0.102 Uiso 1 1 calc R . .
C9B C 0.6403(8) 0.0620(3) 0.6540(3) 0.0800(19) Uani 1 1 d . . .
H9BA H 0.5469 0.0397 0.6421 0.096 Uiso 1 1 calc R . .
C10B C 0.6716(6) 0.0931(3) 0.7118(3) 0.0643(15) Uani 1 1 d . . .
H10B H 0.5992 0.0906 0.7402 0.077 Uiso 1 1 calc R . .
C11 C 0.5419(5) 0.1692(3) 0.8583(3) 0.0548(13) Uani 1 1 d . . .
H11A H 0.5185 0.2136 0.8356 0.066 Uiso 1 1 calc R . .
N3 N 0.6780(4) 0.1407(2) 0.85878(17) 0.0416(8) Uani 1 1 d . . .
N4 N 0.9437(4) 0.09063(18) 0.85362(15) 0.0363(7) Uani 1 1 d . . .
N5 N 1.0751(4) 0.05401(18) 0.85354(16) 0.0385(8) Uani 1 1 d . . .
N6 N 0.9247(4) -0.01143(18) 0.91017(16) 0.0380(8) Uani 1 1 d . . .
C12 C 0.4349(5) 0.1365(3) 0.8896(3) 0.0601(13) Uani 1 1 d . . .
H12A H 0.3390 0.1576 0.8876 0.072 Uiso 1 1 calc R . .
C13 C 0.4681(5) 0.0738(3) 0.9233(2) 0.0521(12) Uani 1 1 d . . .
H13A H 0.3962 0.0512 0.9458 0.063 Uiso 1 1 calc R . .
C14 C 0.6065(5) 0.0432(3) 0.9245(2) 0.0486(11) Uani 1 1 d . . .
H14A H 0.6314 -0.0007 0.9478 0.058 Uiso 1 1 calc R . .
C15 C 0.7093(4) 0.0776(2) 0.89109(19) 0.0367(9) Uani 1 1 d . . .
C16 C 0.8582(4) 0.0503(2) 0.88699(19) 0.0357(9) Uani 1 1 d . . .
C17 C 1.0579(4) -0.0063(2) 0.88861(19) 0.0358(9) Uani 1 1 d . . .
C18 C 1.1739(4) -0.0633(2) 0.89914(19) 0.0377(9) Uani 1 1 d . . .
C19 C 1.1718(5) -0.1138(2) 0.9470(2) 0.0444(10) Uani 1 1 d . . .
H19A H 1.0947 -0.1127 0.9733 0.053 Uiso 1 1 calc R . .
C20 C 1.2837(5) -0.1670(2) 0.9569(2) 0.0482(11) Uani 1 1 d . . .
H20A H 1.2815 -0.2021 0.9898 0.058 Uiso 1 1 calc R . .
C21 C 1.3962(5) -0.1691(2) 0.9198(2) 0.0467(11) Uani 1 1 d . . .
C22 C 1.3961(5) -0.1186(2) 0.8700(2) 0.0451(10) Uani 1 1 d . . .
C23 C 1.2859(4) -0.0669(2) 0.8598(2) 0.0416(10) Uani 1 1 d . . .
H23A H 1.2855 -0.0333 0.8257 0.050 Uiso 1 1 calc R . .
O1 O 1.5110(4) -0.1257(2) 0.83495(18) 0.0642(10) Uani 1 1 d . . .
C24 C 1.5128(6) -0.0762(3) 0.7830(3) 0.0680(15) Uani 1 1 d . . .
H24A H 1.5990 -0.0869 0.7610 0.102 Uiso 1 1 calc R . .
H24B H 1.5183 -0.0251 0.7983 0.102 Uiso 1 1 calc R . .
H24C H 1.4225 -0.0828 0.7540 0.102 Uiso 1 1 calc R . .
O2 O 1.5111(4) -0.2183(2) 0.92640(17) 0.0617(9) Uani 1 1 d . . .
C25 C 1.5196(7) -0.2683(3) 0.9775(3) 0.0792(18) Uani 1 1 d . . .
H25A H 1.6061 -0.3003 0.9766 0.119 Uiso 1 1 calc R . .
H25B H 1.4300 -0.2987 0.9743 0.119 Uiso 1 1 calc R . .
H25C H 1.5285 -0.2405 1.0171 0.119 Uiso 1 1 calc R . .
P P 1.2792(2) 0.44461(10) 0.90464(8) 0.0753(5) Uani 1 1 d . . .
F1 F 1.212(2) 0.5224(11) 0.8666(11) 0.127(7) Uiso 0.259(8) 1 d P A 1
F2 F 1.161(2) 0.4764(11) 0.9547(10) 0.127(7) Uiso 0.259(8) 1 d P A 1
F3 F 1.312(2) 0.4263(14) 0.8335(10) 0.125(7) Uiso 0.259(8) 1 d P A 1
F4 F 1.257(3) 0.3662(15) 0.9344(12) 0.158(9) Uiso 0.259(8) 1 d P A 1
F5 F 1.346(4) 0.5226(18) 0.9463(16) 0.206(13) Uiso 0.259(8) 1 d P A 1
F6 F 1.113(3) 0.4474(18) 0.8799(15) 0.152(12) Uiso 0.259(8) 1 d P A 1
F1A F 1.2357(10) 0.5237(5) 0.9177(4) 0.138(3) Uiso 0.741(8) 1 d P A 2
F2A F 1.2590(7) 0.4171(4) 0.9711(3) 0.115(2) Uiso 0.741(8) 1 d P A 2
F3A F 1.3220(9) 0.4711(5) 0.8392(4) 0.130(3) Uiso 0.741(8) 1 d P A 2
F4A F 1.3322(7) 0.3617(4) 0.8873(3) 0.113(2) Uiso 0.741(8) 1 d P A 2
F5A F 1.4471(6) 0.4584(3) 0.9273(3) 0.104(2) Uiso 0.741(8) 1 d P A 2
F6A F 1.1177(8) 0.4176(5) 0.8745(4) 0.104(2) Uiso 0.741(8) 1 d P A 2
O3 O 0.7846(5) -0.1337(3) 0.9651(3) 0.125(2) Uani 1 1 d . . .
H1O3 H 0.8202 -0.1741 0.9307 0.188 Uiso 1 1 d . . .
H2O3 H 0.8413 -0.0958 0.9442 0.188 Uiso 1 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'
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
N4 Ru N2B 89.76(13) . . ?
N4 Ru N2A 171.46(14) . . ?
N2B Ru N2A 95.60(14) . . ?
N4 Ru N1B 94.18(13) . . ?
N2B Ru N1B 78.79(16) . . ?
N2A Ru N1B 93.38(14) . . ?
N4 Ru N1A 96.15(13) . . ?
N2B Ru N1A 173.90(14) . . ?
N2A Ru N1A 78.70(14) . . ?
N1B Ru N1A 99.25(15) . . ?
N4 Ru N3 77.73(13) . . ?
N2B Ru N3 96.44(15) . . ?
N2A Ru N3 95.03(13) . . ?
N1B Ru N3 170.71(14) . . ?
N1A Ru N3 86.29(13) . . ?
C1A N1A C5A 118.2(4) . . ?
C1A N1A Ru 127.1(3) . . ?
C5A N1A Ru 114.4(3) . . ?
C6A N2A C10A 118.0(4) . . ?
C6A N2A Ru 116.1(3) . . ?
C10A N2A Ru 125.8(3) . . ?
N1A C1A C2A 122.3(4) . . ?
C3A C2A C1A 118.8(5) . . ?
C4A C3A C2A 119.6(5) . . ?
C3A C4A C5A 119.9(5) . . ?
C4A C5A N1A 121.1(4) . . ?
C4A C5A C6A 124.8(4) . . ?
N1A C5A C6A 113.9(4) . . ?
N2A C6A C7A 121.5(4) . . ?
N2A C6A C5A 114.7(4) . . ?
C7A C6A C5A 123.8(5) . . ?
C8A C7A C6A 119.2(5) . . ?
C9A C8A C7A 119.5(5) . . ?
C8A C9A C10A 119.1(5) . . ?
N2A C10A C9A 122.5(5) . . ?
C1B N1B C5B 119.3(4) . . ?
C1B N1B Ru 125.5(3) . . ?
C5B N1B Ru 115.2(3) . . ?
C6B N2B C10B 118.4(4) . . ?
C6B N2B Ru 115.5(3) . . ?
C10B N2B Ru 126.0(4) . . ?
N1B C1B C2B 121.1(5) . . ?
C3B C2B C1B 120.6(6) . . ?
C2B C3B C4B 120.4(5) . . ?
C5B C4B C3B 117.3(6) . . ?
N1B C5B C4B 121.2(5) . . ?
N1B C5B C6B 114.3(4) . . ?
C4B C5B C6B 124.4(5) . . ?
N2B C6B C7B 119.4(5) . . ?
N2B C6B C5B 115.4(4) . . ?
C7B C6B C5B 124.8(5) . . ?
C8B C7B C6B 120.8(6) . . ?
C9B C8B C7B 119.2(6) . . ?
C8B C9B C10B 119.1(6) . . ?
N2B C10B C9B 123.0(6) . . ?
N3 C11 C12 122.5(5) . . ?
C11 N3 C15 118.0(4) . . ?
C11 N3 Ru 126.6(3) . . ?
C15 N3 Ru 115.4(3) . . ?
C16 N4 N5 107.6(3) . . ?
C16 N4 Ru 116.3(3) . . ?
N5 N4 Ru 136.0(3) . . ?
C17 N5 N4 103.5(3) . . ?
C16 N6 C17 101.7(3) . . ?
C13 C12 C11 119.3(4) . . ?
C12 C13 C14 119.6(4) . . ?
C13 C14 C15 118.8(4) . . ?
N3 C15 C14 121.8(4) . . ?
N3 C15 C16 113.6(4) . . ?
C14 C15 C16 124.6(4) . . ?
N4 C16 N6 112.8(3) . . ?
N4 C16 C15 117.0(4) . . ?
N6 C16 C15 130.2(4) . . ?
N5 C17 N6 114.4(3) . . ?
N5 C17 C18 121.6(4) . . ?
N6 C17 C18 123.9(4) . . ?
C19 C18 C23 119.5(4) . . ?
C19 C18 C17 120.4(4) . . ?
C23 C18 C17 120.1(4) . . ?
C18 C19 C20 119.7(4) . . ?
C21 C20 C19 121.0(4) . . ?
C20 C21 O2 125.1(4) . . ?
C20 C21 C22 119.2(4) . . ?
O2 C21 C22 115.7(4) . . ?
O1 C22 C23 124.9(4) . . ?
O1 C22 C21 115.1(4) . . ?
C23 C22 C21 120.0(4) . . ?
C22 C23 C18 120.6(4) . . ?
C22 O1 C24 116.6(4) . . ?
C21 O2 C25 117.9(4) . . ?
F1A P F6 76.5(13) . . ?
F1A P F2A 94.1(5) . . ?
F6 P F2A 96.4(12) . . ?
F1A P F3A 88.6(5) . . ?
F6 P F3A 91.0(12) . . ?
F2A P F3A 172.5(4) . . ?
F1A P F5A 93.4(4) . . ?
F6 P F5A 168.9(13) . . ?
F2A P F5A 88.9(3) . . ?
F3A P F5A 84.0(4) . . ?
F1A P F4 136.3(11) . . ?
F6 P F4 90.1(15) . . ?
F2A P F4 45.7(9) . . ?
F3A P F4 133.7(11) . . ?
F5A P F4 100.6(9) . . ?
F1A P F6A 96.5(5) . . ?
F6 P F6A 20.0(12) . . ?
F2A P F6A 94.2(4) . . ?
F3A P F6A 92.5(4) . . ?
F5A P F6A 169.4(4) . . ?
F4 P F6A 74.7(9) . . ?
F1A P F3 116.5(9) . . ?
F6 P F3 88.0(14) . . ?
F2A P F3 149.2(9) . . ?
F3A P F3 29.7(8) . . ?
F5A P F3 92.4(8) . . ?
F4 P F3 104.1(13) . . ?
F6A P F3 79.8(8) . . ?
F1A P F4A 176.4(4) . . ?
F6 P F4A 104.8(13) . . ?
F2A P F4A 89.1(4) . . ?
F3A P F4A 88.1(4) . . ?
F5A P F4A 85.0(3) . . ?
F4 P F4A 47.2(9) . . ?
F6A P F4A 84.9(4) . . ?
F3 P F4A 60.4(9) . . ?
F1A P F2 50.9(7) . . ?
F6 P F2 62.7(13) . . ?
F2A P F2 51.3(7) . . ?
F3A P F2 134.3(8) . . ?
F5A P F2 114.5(7) . . ?
F4 P F2 85.9(12) . . ?
F6A P F2 74.9(7) . . ?
F3 P F2 149.3(10) . . ?
F4A P F2 132.7(8) . . ?
F1A P F1 39.1(7) . . ?
F6 P F1 61.5(13) . . ?
F2A P F1 129.3(8) . . ?
F3A P F1 55.7(7) . . ?
F5A P F1 107.6(7) . . ?
F4 P F1 151.4(11) . . ?
F6A P F1 78.1(8) . . ?
F3 P F1 79.4(11) . . ?
F4A P F1 138.6(8) . . ?
F2 P F1 78.6(10) . . ?
F1A P F5 39.2(11) . . ?
F6 P F5 114.8(17) . . ?
F2A P F5 81.9(11) . . ?
F3A P F5 95.9(11) . . ?
F5A P F5 56.2(12) . . ?
F4 P F5 125.1(14) . . ?
F6A P F5 134.3(13) . . ?
F3 P F5 123.7(14) . . ?
F4A P F5 140.1(13) . . ?
F2 P F5 67.2(13) . . ?
F1 P F5 70.3(13) . . ?
F6 F1 P 54.5(12) . . ?
F6 F2 P 54.1(12) . . ?
P F6 F2 63.3(14) . . ?
P F6 F1 64.0(14) . . ?
F2 F6 F1 79.9(19) . . ?
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 N4 2.038(3) . ?
Ru N2B 2.043(4) . ?
Ru N2A 2.045(3) . ?
Ru N1B 2.048(4) . ?
Ru N1A 2.059(4) . ?
Ru N3 2.105(4) . ?
N1A C1A 1.326(5) . ?
N1A C5A 1.377(5) . ?
N2A C6A 1.342(6) . ?
N2A C10A 1.352(6) . ?
C1A C2A 1.389(7) . ?
C2A C3A 1.371(8) . ?
C3A C4A 1.360(8) . ?
C4A C5A 1.369(7) . ?
C5A C6A 1.484(7) . ?
C6A C7A 1.387(6) . ?
C7A C8A 1.372(7) . ?
C8A C9A 1.359(8) . ?
C9A C10A 1.373(7) . ?
N1B C1B 1.344(6) . ?
N1B C5B 1.352(6) . ?
N2B C6B 1.339(6) . ?
N2B C10B 1.349(6) . ?
C1B C2B 1.365(7) . ?
C2B C3B 1.323(9) . ?
C3B C4B 1.402(9) . ?
C4B C5B 1.386(7) . ?
C5B C6B 1.461(7) . ?
C6B C7B 1.402(7) . ?
C7B C8B 1.350(9) . ?
C8B C9B 1.348(9) . ?
C9B C10B 1.360(8) . ?
C11 N3 1.342(5) . ?
C11 C12 1.378(7) . ?
N3 C15 1.348(5) . ?
N4 C16 1.334(5) . ?
N4 N5 1.368(4) . ?
N5 C17 1.344(5) . ?
N6 C16 1.337(5) . ?
N6 C17 1.351(5) . ?
C12 C13 1.360(7) . ?
C13 C14 1.375(6) . ?
C14 C15 1.390(6) . ?
C15 C16 1.456(5) . ?
C17 C18 1.473(5) . ?
C18 C19 1.376(6) . ?
C18 C23 1.398(6) . ?
C19 C20 1.399(6) . ?
C20 C21 1.368(7) . ?
C21 O2 1.368(5) . ?
C21 C22 1.404(6) . ?
C22 O1 1.363(5) . ?
C22 C23 1.371(6) . ?
O1 C24 1.429(6) . ?
O2 C25 1.415(6) . ?
P F1A 1.517(8) . ?
P F6 1.54(3) . ?
P F2A 1.540(7) . ?
P F3A 1.572(8) . ?
P F5A 1.572(6) . ?
P F4 1.58(3) . ?
P F6A 1.614(8) . ?
P F3 1.62(2) . ?
P F4A 1.630(7) . ?
P F2 1.70(2) . ?
P F1 1.70(2) . ?
P F5 1.74(3) . ?
F1 F6 1.67(3) . ?
F2 F6 1.69(3) . ?
