#------------------------------------------------------------------------------
#$Date: 2024-02-04 03:59:42 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289306 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/50/7715097.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_7715097
loop_
_publ_author_name
'Itoh, Chisa'
'Yoshino, Haruka'
'Kitayama, Taku'
'Kosaka, Wataru'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Post-synthetic molecular modifications based on Schiff base condensation
 reactions for designing functional paddlewheel diruthenium(II,II)
 complexes.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              444
_journal_page_last               448
_journal_paper_doi               10.1039/d3dt03535b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C74 H50 F12 N2 O10 Ru2, 2(C4 H7 O)'
_chemical_formula_sum            'C82 H64 F12 N2 O12 Ru2'
_chemical_formula_weight         1699.49
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-07-05
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-12-25 deposited with the CCDC.	2024-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                111.777(2)
_cell_angle_beta                 103.696(2)
_cell_angle_gamma                93.940(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2340(2)
_cell_length_b                   12.2457(3)
_cell_length_c                   16.2701(3)
_cell_measurement_reflns_used    14551
_cell_measurement_temperature    102
_cell_measurement_theta_max      30.5280
_cell_measurement_theta_min      1.7950
_cell_volume                     1811.75(8)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      102
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.785
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.785
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23487
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.785
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.013
_diffrn_reflns_theta_min         1.800
_exptl_absorpt_coefficient_mu    0.514
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_description       plate
_exptl_crystal_F_000             862
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.112
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9087
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0900P)²+1.0229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1432
_refine_ls_wR_factor_ref         0.1502
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7722
_reflns_number_total             9087
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03535b2.cif
_cod_data_source_block           Hete-Ru-pyrene
_cod_original_cell_volume        1811.75(7)
_cod_database_code               7715097
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.950
_shelx_estimated_absorpt_t_min   0.946
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: H40(0.5) H40A(0.5) C41B(0.5) H41A(0.5) H41B(0.5) C41A(0.5)
 H41C(0.5) H41D(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B), C38(H38A,
 H38B), C39(H39A,H39B), C41B(H41A,H41B), C41A(H41C,H41D)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C15(H15),
 C16(H16), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C29(H29), C30(H30),
  C31(H31), C40(H40), C40(H40A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 1.07228(2) 0.08883(2) 0.54206(2) 0.02171(9) Uani 1 1 d . . . . .
F1 F 0.7788(2) 0.34049(19) 0.51015(15) 0.0490(5) Uani 1 1 d . . . . .
F2 F 0.5627(2) 0.2939(2) 0.44393(18) 0.0572(6) Uani 1 1 d . . . . .
F3 F 0.67551(19) 0.16138(17) 0.46724(14) 0.0377(4) Uani 1 1 d . . . . .
F4 F 1.0277(2) 0.0472(2) 0.26697(15) 0.0454(5) Uani 1 1 d . . . . .
F5 F 0.9486(2) 0.0437(2) 0.13079(16) 0.0557(6) Uani 1 1 d . . . . .
F6 F 0.8501(2) -0.0797(2) 0.17143(16) 0.0509(5) Uani 1 1 d . . . . .
O1 O 0.94291(19) 0.14437(18) 0.62246(14) 0.0266(4) Uani 1 1 d . . . . .
O2 O 0.79868(19) -0.03051(18) 0.53956(14) 0.0259(4) Uani 1 1 d . . . . .
O3 O 0.96842(19) 0.15703(18) 0.45246(14) 0.0255(4) Uani 1 1 d . . . . .
O4 O 0.82808(19) -0.01939(18) 0.36691(14) 0.0253(4) Uani 1 1 d . . . . .
O5 O 1.2093(2) 0.27963(19) 0.62053(15) 0.0309(4) Uani 1 1 d . . . . .
N1 N 0.4551(3) 0.3798(2) 0.83490(18) 0.0326(5) Uani 1 1 d . . . . .
C1 C 0.8316(3) 0.0732(3) 0.6024(2) 0.0267(6) Uani 1 1 d . . . . .
C2 C 0.7348(3) 0.1195(3) 0.6566(2) 0.0264(5) Uani 1 1 d . . . . .
C3 C 0.7662(3) 0.2341(3) 0.7249(3) 0.0427(8) Uani 1 1 d . . . . .
H3 H 0.853733 0.280278 0.740557 0.051 Uiso 1 1 calc R . . . .
C4 C 0.6739(3) 0.2820(3) 0.7704(2) 0.0405(8) Uani 1 1 d . . . . .
H4 H 0.697247 0.361097 0.816536 0.049 Uiso 1 1 calc R . . . .
C5 C 0.5457(3) 0.2152(3) 0.7492(2) 0.0300(6) Uani 1 1 d . . . . .
C6 C 0.5158(3) 0.0989(3) 0.6840(3) 0.0429(8) Uani 1 1 d . . . . .
H6 H 0.430220 0.051376 0.671069 0.052 Uiso 1 1 calc R . . . .
C7 C 0.6092(3) 0.0506(3) 0.6373(3) 0.0375(7) Uani 1 1 d . . . . .
H7 H 0.587135 -0.029169 0.592342 0.045 Uiso 1 1 calc R . . . .
C8 C 0.4406(3) 0.2684(3) 0.7912(2) 0.0342(6) Uani 1 1 d . . . . .
H8 H 0.360825 0.218345 0.785271 0.041 Uiso 1 1 calc R . . . .
C9 C 0.3531(3) 0.4342(3) 0.8696(2) 0.0336(6) Uani 1 1 d . . . . .
C10 C 0.2196(3) 0.3757(3) 0.8495(2) 0.0391(7) Uani 1 1 d . . . . .
H10 H 0.194922 0.292789 0.811458 0.047 Uiso 1 1 calc R . . . .
C11 C 0.1234(4) 0.4374(3) 0.8847(3) 0.0421(8) Uani 1 1 d . . . . .
H11 H 0.034261 0.395561 0.871423 0.050 Uiso 1 1 calc R . . . .
C12 C 0.1545(3) 0.5603(3) 0.9393(2) 0.0389(7) Uani 1 1 d . . . . .
C13 C 0.2879(3) 0.6212(3) 0.9594(2) 0.0343(7) Uani 1 1 d . . . . .
C14 C 0.3877(3) 0.5586(3) 0.9254(2) 0.0325(6) Uani 1 1 d . . . . .
C15 C 0.5227(3) 0.6243(3) 0.9472(2) 0.0348(7) Uani 1 1 d . . . . .
H15 H 0.591522 0.583294 0.926012 0.042 Uiso 1 1 calc R . . . .
C16 C 0.5525(4) 0.7436(3) 0.9976(2) 0.0393(7) Uani 1 1 d . . . . .
H16 H 0.641974 0.784738 1.010692 0.047 Uiso 1 1 calc R . . . .
C17 C 0.4530(4) 0.8095(3) 1.0316(2) 0.0398(7) Uani 1 1 d . . . . .
C18 C 0.3198(4) 0.7476(3) 1.0128(2) 0.0348(7) Uani 1 1 d . . . . .
C19 C 0.4801(4) 0.9337(4) 1.0816(3) 0.0520(9) Uani 1 1 d . . . . .
H19 H 0.568298 0.976723 1.094006 0.062 Uiso 1 1 calc R . . . .
C20 C 0.3816(5) 0.9948(4) 1.1132(3) 0.0589(11) Uani 1 1 d . . . . .
H20 H 0.402895 1.078914 1.146857 0.071 Uiso 1 1 calc R . . . .
C21 C 0.2533(5) 0.9355(4) 1.0967(3) 0.0533(10) Uani 1 1 d . . . . .
H21 H 0.187166 0.978644 1.119852 0.064 Uiso 1 1 calc R . . . .
C22 C 0.2189(4) 0.8114(4) 1.0458(3) 0.0438(8) Uani 1 1 d . . . . .
C23 C 0.0857(4) 0.7458(4) 1.0246(3) 0.0483(9) Uani 1 1 d . . . . .
H23 H 0.017468 0.786817 1.046785 0.058 Uiso 1 1 calc R . . . .
C24 C 0.0545(4) 0.6267(4) 0.9737(3) 0.0455(8) Uani 1 1 d . . . . .
H24 H -0.035316 0.586091 0.960393 0.055 Uiso 1 1 calc R . . . .
C25 C 0.8708(3) 0.0891(3) 0.3858(2) 0.0262(6) Uani 1 1 d . . . . .
C26 C 0.7980(3) 0.1439(3) 0.3228(2) 0.0288(6) Uani 1 1 d . . . . .
C27 C 0.7080(3) 0.2226(3) 0.3502(2) 0.0325(6) Uani 1 1 d . . . . .
C28 C 0.6816(3) 0.2542(3) 0.4427(3) 0.0374(7) Uani 1 1 d . . . . .
C29 C 0.6449(3) 0.2770(3) 0.2936(3) 0.0404(8) Uani 1 1 d . . . . .
H29 H 0.582358 0.328434 0.311969 0.048 Uiso 1 1 calc R . . . .
C30 C 0.6734(4) 0.2558(3) 0.2104(3) 0.0448(8) Uani 1 1 d . . . . .
H30 H 0.632558 0.294964 0.172771 0.054 Uiso 1 1 calc R . . . .
C31 C 0.7608(4) 0.1783(3) 0.1820(2) 0.0416(8) Uani 1 1 d . . . . .
H31 H 0.779141 0.163340 0.124530 0.050 Uiso 1 1 calc R . . . .
C32 C 0.8222(3) 0.1220(3) 0.2374(2) 0.0335(6) Uani 1 1 d . . . . .
C33 C 0.9128(3) 0.0334(3) 0.2020(2) 0.0400(7) Uani 1 1 d . . . . .
C34 C 1.3208(4) 0.3073(3) 0.5879(3) 0.0468(9) Uani 1 1 d . . . . .
H34A H 1.355153 0.233823 0.556559 0.056 Uiso 1 1 calc R . . . .
H34B H 1.396729 0.363889 0.639907 0.056 Uiso 1 1 calc R . . . .
C35 C 1.2662(5) 0.3612(5) 0.5229(4) 0.0726(14) Uani 1 1 d . . . . .
H35A H 1.232736 0.299415 0.459078 0.087 Uiso 1 1 calc R . . . .
H35B H 1.337570 0.421821 0.525030 0.087 Uiso 1 1 calc R . . . .
C36 C 1.1480(4) 0.4194(4) 0.5540(3) 0.0553(11) Uani 1 1 d . . . . .
H36A H 1.169939 0.507540 0.577699 0.066 Uiso 1 1 calc R . . . .
H36B H 1.062468 0.390560 0.502716 0.066 Uiso 1 1 calc R . . . .
C37 C 1.1358(4) 0.3791(3) 0.6309(3) 0.0412(8) Uani 1 1 d . . . . .
H37A H 1.176564 0.445102 0.692165 0.049 Uiso 1 1 calc R . . . .
H37B H 1.038705 0.353661 0.624591 0.049 Uiso 1 1 calc R . . . .
O6 O 0.2621(16) 0.2948(11) 0.2349(12) 0.358(10) Uani 1 1 d . . . . .
C38 C 0.1318(9) 0.3442(10) 0.2594(8) 0.153(5) Uani 1 1 d . . . . .
H38A H 0.047587 0.306093 0.207536 0.184 Uiso 1 1 calc R . . . .
H38B H 0.118776 0.337190 0.315722 0.184 Uiso 1 1 calc R . . . .
C39 C 0.1747(6) 0.4588(7) 0.2733(6) 0.126(3) Uani 1 1 d . . . . .
H39A H 0.137455 0.515074 0.319845 0.152 Uiso 1 1 calc R . . . .
H39B H 0.145391 0.470533 0.215052 0.152 Uiso 1 1 calc R . . . .
C40 C 0.3251(7) 0.4772(8) 0.3065(8) 0.149(4) Uani 1 1 d . . . . .
H40 H 0.385797 0.551177 0.331110 0.179 Uiso 0.5 1 calc R . P A 1
H40A H 0.378364 0.544594 0.358973 0.179 Uiso 0.5 1 calc R . P B 2
C41B C 0.3589(10) 0.3738(16) 0.2958(17) 0.134(10) Uani 0.5 1 d . . P C 1
H41A H 0.443603 0.367287 0.276282 0.161 Uiso 0.5 1 calc R . P C 1
H41B H 0.375345 0.363414 0.354688 0.161 Uiso 0.5 1 calc R . P C 1
C41A C 0.3706(13) 0.4023(16) 0.2627(9) 0.082(4) Uani 0.5 1 d . . P C 2
H41C H 0.459207 0.394570 0.298976 0.098 Uiso 0.5 1 calc R . P C 2
H41D H 0.383132 0.414913 0.208124 0.098 Uiso 0.5 1 calc R . P C 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'
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'
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
Ru1 Ru1 O5 174.83(5) 2_756 . ?
O1 Ru1 Ru1 90.12(6) . 2_756 ?
O1 Ru1 O2 179.22(7) . 2_756 ?
O1 Ru1 O3 89.61(8) . . ?
O1 Ru1 O4 89.04(8) . 2_756 ?
O1 Ru1 O5 89.30(8) . . ?
O2 Ru1 Ru1 89.14(5) 2_756 2_756 ?
O2 Ru1 O4 90.73(8) 2_756 2_756 ?
O2 Ru1 O5 91.46(8) 2_756 . ?
O3 Ru1 Ru1 89.16(6) . 2_756 ?
O3 Ru1 O2 90.61(8) . 2_756 ?
O3 Ru1 O4 178.45(7) . 2_756 ?
O3 Ru1 O5 85.71(7) . . ?
O4 Ru1 Ru1 90.08(5) 2_756 2_756 ?
O4 Ru1 O5 95.04(7) 2_756 . ?
C1 O1 Ru1 117.64(19) . . ?
C1 O2 Ru1 118.35(17) . 2_756 ?
C25 O3 Ru1 118.02(17) . . ?
C25 O4 Ru1 116.15(17) . 2_756 ?
C34 O5 Ru1 118.8(2) . . ?
C34 O5 C37 104.8(2) . . ?
C37 O5 Ru1 115.21(18) . . ?
C8 N1 C9 122.3(3) . . ?
O1 C1 C2 116.5(3) . . ?
O2 C1 O1 124.7(3) . . ?
O2 C1 C2 118.8(2) . . ?
C3 C2 C1 120.4(2) . . ?
C3 C2 C7 118.9(3) . . ?
C7 C2 C1 120.6(3) . . ?
C4 C3 C2 121.3(3) . . ?
C3 C4 C5 120.2(3) . . ?
C4 C5 C8 121.0(3) . . ?
C6 C5 C4 118.8(3) . . ?
C6 C5 C8 120.0(3) . . ?
C5 C6 C7 120.9(3) . . ?
C2 C7 C6 119.7(3) . . ?
N1 C8 C5 120.8(3) . . ?
N1 C9 C10 124.5(3) . . ?
N1 C9 C14 116.5(3) . . ?
C10 C9 C14 118.9(3) . . ?
C11 C10 C9 120.7(3) . . ?
C10 C11 C12 121.5(3) . . ?
C11 C12 C13 118.7(3) . . ?
C11 C12 C24 122.3(3) . . ?
C13 C12 C24 119.0(3) . . ?
C12 C13 C14 120.3(3) . . ?
C12 C13 C18 119.2(3) . . ?
C14 C13 C18 120.5(3) . . ?
C9 C14 C15 121.6(3) . . ?
C13 C14 C9 119.8(3) . . ?
C13 C14 C15 118.5(3) . . ?
C16 C15 C14 120.8(3) . . ?
C15 C16 C17 121.8(3) . . ?
C18 C17 C16 118.9(3) . . ?
C19 C17 C16 122.9(4) . . ?
C19 C17 C18 118.2(4) . . ?
C17 C18 C13 119.4(3) . . ?
C17 C18 C22 119.9(3) . . ?
C22 C18 C13 120.7(3) . . ?
C20 C19 C17 121.5(4) . . ?
C21 C20 C19 120.8(4) . . ?
C20 C21 C22 120.6(4) . . ?
C18 C22 C23 118.1(4) . . ?
C21 C22 C18 119.1(4) . . ?
C21 C22 C23 122.8(4) . . ?
C24 C23 C22 121.5(4) . . ?
C23 C24 C12 121.4(4) . . ?
O3 C25 O4 126.6(3) . . ?
O3 C25 C26 115.7(2) . . ?
O4 C25 C26 117.7(2) . . ?
C27 C26 C25 120.6(3) . . ?
C32 C26 C25 121.2(3) . . ?
C32 C26 C27 118.1(3) . . ?
C26 C27 C28 121.0(3) . . ?
C29 C27 C26 120.6(3) . . ?
C29 C27 C28 118.3(3) . . ?
F1 C28 F2 106.6(3) . . ?
F1 C28 F3 106.7(3) . . ?
F1 C28 C27 112.0(3) . . ?
F2 C28 C27 111.8(3) . . ?
F3 C28 F2 106.5(3) . . ?
F3 C28 C27 112.9(3) . . ?
C30 C29 C27 119.9(3) . . ?
C31 C30 C29 120.3(3) . . ?
C30 C31 C32 120.0(3) . . ?
C26 C32 C33 120.6(3) . . ?
C31 C32 C26 120.9(3) . . ?
C31 C32 C33 118.5(3) . . ?
F4 C33 F5 107.4(3) . . ?
F4 C33 F6 106.9(3) . . ?
F4 C33 C32 112.2(3) . . ?
F5 C33 C32 111.8(3) . . ?
F6 C33 F5 106.1(3) . . ?
F6 C33 C32 112.0(3) . . ?
O5 C34 C35 106.2(3) . . ?
C34 C35 C36 105.7(4) . . ?
C37 C36 C35 103.1(3) . . ?
O5 C37 C36 106.1(3) . . ?
C41B O6 C38 102.7(12) . . ?
C41A O6 C38 106.7(8) . . ?
C39 C38 O6 96.3(8) . . ?
C38 C39 C40 105.0(7) . . ?
C41B C40 C39 107.3(9) . . ?
C41A C40 C39 113.1(11) . . ?
O6 C41B C40 108.0(10) . . ?
C40 C41A O6 101.6(11) . . ?
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 Ru1 2.2769(4) 2_756 ?
Ru1 O1 2.052(2) . ?
Ru1 O2 2.067(2) 2_756 ?
Ru1 O3 2.0601(19) . ?
Ru1 O4 2.0723(19) 2_756 ?
Ru1 O5 2.355(2) . ?
F1 C28 1.337(4) . ?
F2 C28 1.343(4) . ?
F3 C28 1.340(4) . ?
F4 C33 1.334(4) . ?
F5 C33 1.340(4) . ?
F6 C33 1.339(4) . ?
O1 C1 1.281(3) . ?
O2 C1 1.260(4) . ?
O3 C25 1.253(3) . ?
O4 C25 1.266(3) . ?
O5 C34 1.437(4) . ?
O5 C37 1.454(4) . ?
N1 C8 1.261(4) . ?
N1 C9 1.395(4) . ?
C1 C2 1.483(4) . ?
C2 C3 1.385(5) . ?
C2 C7 1.388(4) . ?
C3 C4 1.367(5) . ?
C4 C5 1.392(4) . ?
C5 C6 1.382(5) . ?
C5 C8 1.471(4) . ?
C6 C7 1.388(5) . ?
C9 C10 1.403(5) . ?
C9 C14 1.420(5) . ?
C10 C11 1.384(5) . ?
C11 C12 1.401(5) . ?
C12 C13 1.413(5) . ?
C12 C24 1.439(5) . ?
C13 C14 1.414(5) . ?
C13 C18 1.434(5) . ?
C14 C15 1.444(5) . ?
C15 C16 1.353(5) . ?
C16 C17 1.429(5) . ?
C17 C18 1.419(5) . ?
C17 C19 1.403(5) . ?
C18 C22 1.424(5) . ?
C19 C20 1.380(6) . ?
C20 C21 1.371(6) . ?
C21 C22 1.404(6) . ?
C22 C23 1.430(6) . ?
C23 C24 1.352(6) . ?
C25 C26 1.508(4) . ?
C26 C27 1.405(4) . ?
C26 C32 1.400(4) . ?
C27 C28 1.504(5) . ?
C27 C29 1.393(4) . ?
C29 C30 1.387(5) . ?
C30 C31 1.379(5) . ?
C31 C32 1.391(4) . ?
C32 C33 1.515(5) . ?
C34 C35 1.468(6) . ?
C35 C36 1.540(7) . ?
C36 C37 1.531(5) . ?
O6 C38 1.577(14) . ?
O6 C41B 1.26(2) . ?
O6 C41A 1.51(2) . ?
C38 C39 1.359(11) . ?
C39 C40 1.476(9) . ?
C40 C41B 1.296(16) . ?
C40 C41A 1.139(15) . ?
