#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:18:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179747 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/43/7004362.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_7004362
loop_
_publ_author_name
'Dixon, Isabelle M.'
'Lebon, Emilie'
'Loustau, Gilles'
'Sutra, Pierre'
'Vendier, Laure'
'Igau, Alain'
'Juris, Alberto'
_publ_section_title
;
 Broad HOMO--LUMO gap tuning through the coordination of a single
 phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core
;
_journal_issue                   41
_journal_name_full               'Dalton Transactions'
_journal_page_first              5627
_journal_page_last               5635
_journal_paper_doi               10.1039/b806325g
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C28 H28 N5 O3 P Ru, C3 H6 O, 2(F6 P)'
_chemical_formula_sum            'C31 H34 F12 N5 O4 P3 Ru'
_chemical_formula_weight         962.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 126.380(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.058(3)
_cell_length_b                   16.561(3)
_cell_length_c                   12.834(2)
_cell_measurement_reflns_used    20340
_cell_measurement_temperature    100
_cell_measurement_theta_max      32.2032
_cell_measurement_theta_min      3.0184
_cell_measurement_wavelength     0.71073
_cell_volume                     3774.5(14)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford-Diffraction XCALIBUR'
_diffrn_measurement_method       ω-φ
_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  0.0366
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12578
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.61
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.9263
_exptl_absorpt_correction_T_min  0.8356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            'red orange'
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.125
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         6488
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0410P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0831
_reflns_number_gt                5154
_reflns_number_total             6488
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b806325g.txt
_cod_data_source_block           ([Ru]3)
_cod_original_cell_volume        3774.6(14)
_cod_database_code               7004362
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
C1 C 0.4230(3) 0.8005(4) 0.5274(6) 0.0429(15) Uani 1 1 d . . .
H1A H 0.3989 0.7489 0.4959 0.064 Uiso 1 1 calc R . .
H1B H 0.3868 0.8425 0.4785 0.064 Uiso 1 1 calc R . .
H1C H 0.4432 0.8058 0.6171 0.064 Uiso 1 1 calc R . .
C2 C 0.3695(3) 0.8105(3) 0.2235(5) 0.0367(12) Uani 1 1 d . . .
H2A H 0.3906 0.8562 0.2806 0.055 Uiso 1 1 calc R . .
H2B H 0.3176 0.8044 0.1899 0.055 Uiso 1 1 calc R . .
H2C H 0.373 0.8187 0.1532 0.055 Uiso 1 1 calc R . .
C3 C 0.4359(3) 0.6055(3) 0.4522(6) 0.0445(14) Uani 1 1 d . . .
H3A H 0.4271 0.6135 0.5163 0.067 Uiso 1 1 calc R . .
H3B H 0.4487 0.5501 0.4528 0.067 Uiso 1 1 calc R . .
H3C H 0.3912 0.619 0.3684 0.067 Uiso 1 1 calc R . .
C4 C 0.7369(3) 0.8509(3) 0.4846(5) 0.0315(12) Uani 1 1 d . . .
H4 H 0.7289 0.8925 0.5238 0.038 Uiso 1 1 calc R . .
C5 C 0.7980(3) 0.8566(4) 0.4778(6) 0.0503(16) Uani 1 1 d . . .
H5 H 0.8291 0.9017 0.5099 0.06 Uiso 1 1 calc R . .
C6 C 0.8109(3) 0.7937(4) 0.4226(6) 0.0492(17) Uani 1 1 d . . .
H6 H 0.851 0.7955 0.417 0.059 Uiso 1 1 calc R . .
C7 C 0.7630(3) 0.7280(4) 0.3757(5) 0.0471(16) Uani 1 1 d . . .
H7 H 0.7714 0.6847 0.3397 0.056 Uiso 1 1 calc R . .
C8 C 0.7035(3) 0.7264(4) 0.3820(5) 0.0325(12) Uani 1 1 d . . .
C9 C 0.6493(3) 0.6593(3) 0.3320(5) 0.0302(12) Uani 1 1 d . . .
C10 C 0.6531(4) 0.5913(4) 0.2720(6) 0.0489(16) Uani 1 1 d . . .
H10 H 0.6932 0.5857 0.2669 0.059 Uiso 1 1 calc R . .
C11 C 0.5992(4) 0.5329(4) 0.2207(6) 0.0542(18) Uani 1 1 d . . .
H11 H 0.6029 0.4874 0.1824 0.065 Uiso 1 1 calc R . .
C12 C 0.5395(4) 0.5416(4) 0.2260(6) 0.0462(16) Uani 1 1 d . . .
H12 H 0.5011 0.5034 0.1888 0.055 Uiso 1 1 calc R . .
C13 C 0.5377(3) 0.6098(3) 0.2893(5) 0.0356(13) Uani 1 1 d . . .
H13 H 0.4978 0.6152 0.295 0.043 Uiso 1 1 calc R . .
C14 C 0.4982(3) 0.8295(4) 0.1478(5) 0.0345(14) Uani 1 1 d . . .
H14 H 0.4975 0.7756 0.1268 0.041 Uiso 1 1 calc R . .
C15 C 0.4603(3) 0.8858(4) 0.0474(5) 0.0412(15) Uani 1 1 d . . .
H15 H 0.4347 0.8699 -0.0385 0.049 Uiso 1 1 calc R . .
C16 C 0.4621(3) 0.9663(4) 0.0797(5) 0.0415(14) Uani 1 1 d . . .
H16 H 0.4374 1.0052 0.015 0.05 Uiso 1 1 calc R . .
C17 C 0.5007(3) 0.9883(3) 0.2082(5) 0.0369(13) Uani 1 1 d . . .
H17 H 0.5023 1.042 0.2308 0.044 Uiso 1 1 calc R . .
C18 C 0.5372(3) 0.9291(3) 0.3032(5) 0.0309(12) Uani 1 1 d . . .
C19 C 0.5800(3) 0.9463(3) 0.4437(5) 0.0304(12) Uani 1 1 d . . .
C20 C 0.5941(3) 1.0219(3) 0.5020(5) 0.0357(13) Uani 1 1 d . . .
H20 H 0.5752 1.0685 0.452 0.043 Uiso 1 1 calc R . .
C21 C 0.6363(3) 1.0263(3) 0.6341(6) 0.0372(14) Uani 1 1 d . . .
H21 H 0.6464 1.0764 0.6739 0.045 Uiso 1 1 calc R . .
C22 C 0.6643(3) 0.9569(3) 0.7095(5) 0.0329(12) Uani 1 1 d . . .
H22 H 0.6933 0.9598 0.7993 0.04 Uiso 1 1 calc R . .
C23 C 0.6477(3) 0.8833(3) 0.6469(5) 0.0252(11) Uani 1 1 d . . .
C24 C 0.6757(3) 0.8030(3) 0.7106(5) 0.0248(12) Uani 1 1 d . . .
C25 C 0.7144(3) 0.7912(3) 0.8414(5) 0.0288(12) Uani 1 1 d . . .
H25 H 0.7243 0.8346 0.8953 0.035 Uiso 1 1 calc R . .
C26 C 0.7383(3) 0.7151(3) 0.8925(5) 0.0333(12) Uani 1 1 d . . .
H26 H 0.7646 0.7063 0.9809 0.04 Uiso 1 1 calc R . .
C27 C 0.7222(3) 0.6515(3) 0.8088(5) 0.0309(12) Uani 1 1 d . . .
H27 H 0.7385 0.5996 0.8415 0.037 Uiso 1 1 calc R . .
C28 C 0.6823(3) 0.6650(3) 0.6776(5) 0.0253(11) Uani 1 1 d . . .
H28 H 0.6715 0.6217 0.6231 0.03 Uiso 1 1 calc R . .
C101 C 1.0730(4) 1.2438(5) 0.8896(6) 0.0565(19) Uani 1 1 d . . .
C102 C 1.1089(6) 1.2351(5) 1.0230(8) 0.083(3) Uani 1 1 d . . .
H10A H 1.1606 1.2201 1.0649 0.124 Uiso 1 1 calc R . .
H10B H 1.084 1.1939 1.0373 0.124 Uiso 1 1 calc R . .
H10C H 1.1068 1.2853 1.0581 0.124 Uiso 1 1 calc R . .
C103 C 1.0584(4) 1.1683(4) 0.8146(6) 0.0526(16) Uani 1 1 d . . .
H10D H 1.0114 1.1453 0.7885 0.079 Uiso 1 1 calc R . .
H10E H 1.0983 1.1303 0.8678 0.079 Uiso 1 1 calc R . .
H10F H 1.0562 1.1806 0.7393 0.079 Uiso 1 1 calc R . .
N1 N 0.6904(3) 0.7886(3) 0.4372(4) 0.0306(11) Uani 1 1 d . . .
N2 N 0.5910(3) 0.6678(3) 0.3421(4) 0.0312(10) Uani 1 1 d . . .
N3 N 0.5349(2) 0.8489(3) 0.2708(4) 0.0310(10) Uani 1 1 d . . .
N4 N 0.6067(2) 0.8794(2) 0.5169(4) 0.0231(9) Uani 1 1 d . . .
N5 N 0.6583(2) 0.7402(2) 0.6258(4) 0.0248(9) Uani 1 1 d . . .
O1 O 0.48326(19) 0.8071(2) 0.5135(3) 0.0304(8) Uani 1 1 d . . .
O2 O 0.41005(19) 0.7394(2) 0.2928(3) 0.0320(8) Uani 1 1 d . . .
O3 O 0.4975(2) 0.6570(2) 0.4813(3) 0.0334(9) Uani 1 1 d . . .
O4 O 1.0574(3) 1.3110(3) 0.8387(5) 0.0708(14) Uani 1 1 d . . .
F1 F 0.3288(2) 1.0639(2) 0.0760(3) 0.0556(10) Uani 1 1 d . . .
F2 F 0.2767(3) 1.0118(3) 0.2486(5) 0.1065(19) Uani 1 1 d . . .
F3 F 0.2817(2) 0.9507(2) 0.0983(4) 0.0758(13) Uani 1 1 d . . .
F4 F 0.38596(18) 1.0077(2) 0.2737(3) 0.0442(8) Uani 1 1 d . . .
F5 F 0.3207(3) 1.1259(3) 0.2216(4) 0.0807(15) Uani 1 1 d . . .
F6 F 0.2191(2) 1.0687(2) 0.0505(4) 0.0642(10) Uani 1 1 d . . .
F7 F 0.8930(3) 1.0126(3) 0.6994(4) 0.0864(16) Uani 1 1 d . . .
F8 F 0.7787(2) 1.1449(2) 0.6622(4) 0.0733(12) Uani 1 1 d . . .
F9 F 0.8994(3) 1.1124(3) 0.8198(4) 0.0889(14) Uani 1 1 d . . .
F10 F 0.7701(2) 1.0437(2) 0.5419(4) 0.0667(11) Uani 1 1 d . . .
F11 F 0.8613(2) 1.1352(3) 0.6166(4) 0.0853(16) Uani 1 1 d . . .
F12 F 0.8094(2) 1.0183(3) 0.7425(5) 0.1038(19) Uani 1 1 d . . .
P1 P 0.49207(8) 0.74471(8) 0.42834(13) 0.0259(3) Uani 1 1 d . . .
P2 P 0.30169(9) 1.03792(9) 0.15957(14) 0.0343(4) Uani 1 1 d . . .
P3 P 0.83514(9) 1.07782(12) 0.68106(15) 0.0450(4) Uani 1 1 d . . .
Ru1 Ru 0.59318(2) 0.77429(2) 0.43363(3) 0.02394(10) Uani 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 0 '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 0.006 '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
N1 C4 C5 122.4(5) . . ?
C6 C5 C4 118.6(6) . . ?
C5 C6 C7 118.7(5) . . ?
C8 C7 C6 120.4(6) . . ?
C7 C8 N1 121.3(6) . . ?
C7 C8 C9 123.5(5) . . ?
N1 C8 C9 115.2(4) . . ?
N2 C9 C10 120.1(5) . . ?
N2 C9 C8 116.4(4) . . ?
C10 C9 C8 123.5(5) . . ?
C11 C10 C9 121.2(6) . . ?
C10 C11 C12 119.5(6) . . ?
C11 C12 C13 118.2(6) . . ?
N2 C13 C12 123.3(5) . . ?
N3 C14 C15 123.2(5) . . ?
C16 C15 C14 118.0(5) . . ?
C17 C16 C15 119.8(5) . . ?
C16 C17 C18 119.2(5) . . ?
N3 C18 C17 120.9(5) . . ?
N3 C18 C19 115.6(4) . . ?
C17 C18 C19 123.4(5) . . ?
N4 C19 C20 120.0(5) . . ?
N4 C19 C18 113.0(4) . . ?
C20 C19 C18 127.0(5) . . ?
C21 C20 C19 118.9(5) . . ?
C20 C21 C22 120.9(5) . . ?
C23 C22 C21 117.9(5) . . ?
N4 C23 C22 120.9(4) . . ?
N4 C23 C24 113.1(4) . . ?
C22 C23 C24 125.9(5) . . ?
C25 C24 N5 122.3(5) . . ?
C25 C24 C23 123.6(5) . . ?
N5 C24 C23 114.0(4) . . ?
C24 C25 C26 120.0(5) . . ?
C25 C26 C27 118.4(5) . . ?
C28 C27 C26 120.3(5) . . ?
N5 C28 C27 121.8(5) . . ?
O4 C101 C102 121.2(7) . . ?
O4 C101 C103 122.0(6) . . ?
C102 C101 C103 116.8(7) . . ?
C4 N1 C8 118.6(5) . . ?
C4 N1 Ru1 126.4(3) . . ?
C8 N1 Ru1 115.0(4) . . ?
C13 N2 C9 117.7(4) . . ?
C13 N2 Ru1 127.1(3) . . ?
C9 N2 Ru1 115.2(4) . . ?
C14 N3 C18 118.8(5) . . ?
C14 N3 Ru1 129.1(4) . . ?
C18 N3 Ru1 112.1(3) . . ?
C19 N4 C23 121.4(4) . . ?
C19 N4 Ru1 119.2(3) . . ?
C23 N4 Ru1 119.2(3) . . ?
C28 N5 C24 117.2(4) . . ?
C28 N5 Ru1 128.8(3) . . ?
C24 N5 Ru1 113.9(3) . . ?
C1 O1 P1 122.0(3) . . ?
C2 O2 P1 121.2(3) . . ?
C3 O3 P1 127.5(3) . . ?
O3 P1 O1 108.0(2) . . ?
O3 P1 O2 99.5(2) . . ?
O1 P1 O2 105.10(19) . . ?
O3 P1 Ru1 111.59(14) . . ?
O1 P1 Ru1 111.11(15) . . ?
O2 P1 Ru1 120.42(14) . . ?
F1 P2 F3 91.0(2) . . ?
F1 P2 F6 90.7(2) . . ?
F3 P2 F6 91.1(2) . . ?
F1 P2 F5 89.9(2) . . ?
F3 P2 F5 179.0(3) . . ?
F6 P2 F5 88.3(2) . . ?
F1 P2 F2 178.2(3) . . ?
F3 P2 F2 89.8(3) . . ?
F6 P2 F2 90.9(2) . . ?
F5 P2 F2 89.4(3) . . ?
F1 P2 F4 90.26(19) . . ?
F3 P2 F4 89.94(19) . . ?
F6 P2 F4 178.5(2) . . ?
F5 P2 F4 90.6(2) . . ?
F2 P2 F4 88.1(2) . . ?
F12 P3 F8 91.8(3) . . ?
F12 P3 F11 177.9(3) . . ?
F8 P3 F11 89.8(3) . . ?
F12 P3 F7 89.8(3) . . ?
F8 P3 F7 178.3(3) . . ?
F11 P3 F7 88.6(3) . . ?
F12 P3 F9 90.7(3) . . ?
F8 P3 F9 91.0(2) . . ?
F11 P3 F9 90.6(3) . . ?
F7 P3 F9 88.5(3) . . ?
F12 P3 F10 89.2(3) . . ?
F8 P3 F10 88.5(2) . . ?
F11 P3 F10 89.6(2) . . ?
F7 P3 F10 92.0(2) . . ?
F9 P3 F10 179.5(3) . . ?
N4 Ru1 N5 79.58(16) . . ?
N4 Ru1 N3 79.93(18) . . ?
N5 Ru1 N3 159.45(16) . . ?
N4 Ru1 N2 171.69(16) . . ?
N5 Ru1 N2 101.96(16) . . ?
N3 Ru1 N2 98.11(16) . . ?
N4 Ru1 N1 93.68(17) . . ?
N5 Ru1 N1 91.53(16) . . ?
N3 Ru1 N1 88.30(16) . . ?
N2 Ru1 N1 78.16(18) . . ?
N4 Ru1 P1 92.11(12) . . ?
N5 Ru1 P1 87.20(11) . . ?
N3 Ru1 P1 95.03(12) . . ?
N2 Ru1 P1 96.11(13) . . ?
N1 Ru1 P1 173.76(14) . . ?
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
C1 O1 1.447(6) . ?
C2 O2 1.427(6) . ?
C3 O3 1.453(6) . ?
C4 N1 1.323(7) . ?
C4 C5 1.402(7) . ?
C5 C6 1.381(9) . ?
C6 C7 1.381(9) . ?
C7 C8 1.362(7) . ?
C8 N1 1.375(7) . ?
C8 C9 1.471(8) . ?
C9 N2 1.375(6) . ?
C9 C10 1.395(7) . ?
C10 C11 1.362(9) . ?
C11 C12 1.365(8) . ?
C12 C13 1.405(7) . ?
C13 N2 1.349(7) . ?
C14 N3 1.317(7) . ?
C14 C15 1.398(8) . ?
C15 C16 1.389(8) . ?
C16 C17 1.383(8) . ?
C17 C18 1.389(7) . ?
C18 N3 1.384(7) . ?
C18 C19 1.484(7) . ?
C19 N4 1.342(6) . ?
C19 C20 1.396(7) . ?
C20 C21 1.369(8) . ?
C21 C22 1.389(7) . ?
C22 C23 1.385(7) . ?
C23 N4 1.347(6) . ?
C23 C24 1.489(7) . ?
C24 C25 1.373(7) . ?
C24 N5 1.385(6) . ?
C25 C26 1.374(7) . ?
C26 C27 1.392(7) . ?
C27 C28 1.379(7) . ?
C28 N5 1.362(6) . ?
C101 O4 1.232(9) . ?
C101 C102 1.404(10) . ?
C101 C103 1.493(9) . ?
N1 Ru1 2.130(5) . ?
N2 Ru1 2.103(4) . ?
N3 Ru1 2.088(4) . ?
N4 Ru1 1.970(4) . ?
N5 Ru1 2.064(4) . ?
O1 P1 1.598(3) . ?
O2 P1 1.604(4) . ?
O3 P1 1.578(4) . ?
F1 P2 1.567(3) . ?
F2 P2 1.594(4) . ?
F3 P2 1.577(4) . ?
F4 P2 1.619(4) . ?
F5 P2 1.593(4) . ?
F6 P2 1.585(4) . ?
F7 P3 1.579(4) . ?
F8 P3 1.576(4) . ?
F9 P3 1.586(4) . ?
F10 P3 1.590(4) . ?
F11 P3 1.577(4) . ?
F12 P3 1.564(4) . ?
P1 Ru1 2.2448(15) . ?
