#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:32:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179115 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/77/4307759.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_4307759
loop_
_publ_author_name
'Yuan-Qing Fang'
'Nicholas J. Taylor'
'François Laverdière'
'Garry S. Hanan'
'Frédérique Loiseau'
'Francesco Nastasi'
'Sebastiano Campagna'
'Hélène Nierengarten'
'Emmanuelle Leize-Wagner'
'Alain Van Dorsselaer'
_publ_contact_author
;
 Garry S. Hanan
 Department of Chemistry
 Universite de Montreal 
 Montreal, Quebec, Canada
 H3T 1J4
 
;
_publ_contact_author_email       garry.hanan@umontreal.ca
_publ_contact_author_fax         '+ 514 343 2468 '
_publ_contact_author_phone       '+ 514 343 7056'
_publ_section_title
;
Ruthenium(II) Complexes with Improved Photophysical Properties Based on
Planar 4'-(2-Pyrimidinyl)-2,2':6',2''-terpyridine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2854
_journal_page_last               2863
_journal_paper_doi               10.1021/ic0622609
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C42 H26 F17 N10 O3 P2 Ru'
_chemical_formula_weight         1204.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 109.739(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.267(2)
_cell_length_b                   25.158(4)
_cell_length_c                   14.348(2)
_cell_measurement_reflns_used    4397
_cell_measurement_temperature    447(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.56
_cell_volume                     4507.6(12)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_molecular_graphics    -
_computing_publication_material  -
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      173(1)
_diffrn_detector_area_resol_mean -
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  -
_diffrn_measurement_method       -
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22973
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  -0.0538
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sad.abs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-needle
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          '0.3 mm'
_exptl_crystal_size_mid          '0.1 mm'
_exptl_crystal_size_min          '0.03 mm'
_refine_diff_density_max         1.435
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         7922
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0652P)²+6.0094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1304
_reflns_number_gt                6235
_reflns_number_total             7922
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0622609si20061128_060023.cif
_cod_data_source_block           gsh3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value '-' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4307759
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru1 Ru 0.75793(2) 0.906884(11) 0.25216(2) 0.02218(11) Uani 1 1 d . . .
F1 F 0.56171(18) 1.32371(9) 0.1932(2) 0.0442(6) Uani 1 1 d . . .
F2 F 0.5679(2) 1.43098(10) 0.1917(2) 0.0542(7) Uani 1 1 d . . .
F3 F 0.7584(2) 1.48242(9) 0.2476(2) 0.0546(8) Uani 1 1 d . . .
F4 F 0.94321(19) 1.42654(10) 0.3087(2) 0.0515(7) Uani 1 1 d . . .
F5 F 0.93913(18) 1.31919(9) 0.3119(2) 0.0440(6) Uani 1 1 d . . .
O1 O 0.0240(2) 0.64773(12) 0.3819(2) 0.0455(8) Uani 1 1 d . . .
O2 O 0.1569(2) 0.62201(11) 0.5084(2) 0.0396(7) Uani 1 1 d . . .
O3 O 0.1202(2) 0.70575(11) 0.4854(2) 0.0426(7) Uani 1 1 d . . .
O4 O 0.5038(2) 0.17079(12) 0.3793(2) 0.0498(8) Uani 1 1 d . . .
O5 O 0.6052(2) 0.11467(10) 0.4833(2) 0.0406(7) Uani 1 1 d . . .
O6 O 0.6329(2) 0.19888(11) 0.5062(2) 0.0458(8) Uani 1 1 d . . .
N1 N 0.8041(2) 0.92257(12) 0.1312(2) 0.0250(7) Uani 1 1 d . . .
N2 N 0.7464(2) 0.98482(11) 0.2465(2) 0.0217(6) Uani 1 1 d . . .
N3 N 0.7049(2) 0.92137(11) 0.3691(2) 0.0245(7) Uani 1 1 d . . .
N4 N 0.7646(3) 1.17782(12) 0.1741(2) 0.0316(8) Uani 1 1 d . . .
N5 N 0.7245(3) 1.17653(12) 0.3238(2) 0.0318(8) Uani 1 1 d . . .
N6 N 0.6066(2) 0.88265(11) 0.1664(2) 0.0244(7) Uani 1 1 d . . .
N7 N 0.7741(2) 0.82860(11) 0.2614(2) 0.0244(7) Uani 1 1 d . . .
N8 N 0.9161(2) 0.90012(11) 0.3417(2) 0.0261(7) Uani 1 1 d . . .
N9 N 0.1002(2) 0.65831(13) 0.4586(3) 0.0313(8) Uani 1 1 d . . .
N10 N 0.5805(2) 0.16152(12) 0.4565(3) 0.0307(8) Uani 1 1 d . . .
N12 N 0.7124(4) 0.7527(2) 0.9834(4) 0.0730(14) Uani 1 1 d . . .
N13 N 0.5602(6) 0.9548(3) 0.9187(5) 0.112(2) Uani 1 1 d . . .
N14 N 0.9480(6) 0.9244(3) 0.5968(5) 0.120(3) Uani 1 1 d . . .
C1 C 0.8303(3) 0.88746(16) 0.0723(3) 0.0326(9) Uani 1 1 d . . .
H1 H 0.8246 0.8514 0.0835 0.039 Uiso 1 1 calc R . .
C2 C 0.8653(3) 0.90293(17) -0.0041(3) 0.0390(10) Uani 1 1 d . . .
H2 H 0.8828 0.8777 -0.0435 0.047 Uiso 1 1 calc R . .
C3 C 0.8739(3) 0.95634(17) -0.0210(3) 0.0376(10) Uani 1 1 d . . .
H3 H 0.8977 0.9674 -0.0718 0.045 Uiso 1 1 calc R . .
C4 C 0.8469(3) 0.99350(16) 0.0378(3) 0.0318(9) Uani 1 1 d . . .
H4 H 0.8528 1.0297 0.0272 0.038 Uiso 1 1 calc R . .
C5 C 0.8110(3) 0.97607(14) 0.1129(3) 0.0256(8) Uani 1 1 d . . .
C6 C 0.7782(3) 1.01176(14) 0.1789(3) 0.0244(8) Uani 1 1 d . . .
C7 C 0.7779(3) 1.06635(14) 0.1780(3) 0.0258(8) Uani 1 1 d . . .
H7 H 0.8009 1.0848 0.1327 0.031 Uiso 1 1 calc R . .
C8 C 0.7426(3) 1.09385(14) 0.2458(3) 0.0244(8) Uani 1 1 d . . .
C9 C 0.7089(3) 1.06557(14) 0.3138(3) 0.0244(8) Uani 1 1 d . . .
H9 H 0.6841 1.0834 0.3586 0.029 Uiso 1 1 calc R . .
C10 C 0.7131(3) 1.01064(14) 0.3134(3) 0.0230(8) Uani 1 1 d . . .
C11 C 0.6866(3) 0.97414(13) 0.3823(3) 0.0241(8) Uani 1 1 d . . .
C12 C 0.6466(3) 0.99056(15) 0.4550(3) 0.0305(9) Uani 1 1 d . . .
H12 H 0.6344 1.0264 0.4627 0.037 Uiso 1 1 calc R . .
C13 C 0.6251(3) 0.95300(16) 0.5160(3) 0.0360(10) Uani 1 1 d . . .
H13 H 0.5984 0.9634 0.5653 0.043 Uiso 1 1 calc R . .
C14 C 0.6433(3) 0.89980(16) 0.5032(3) 0.0368(10) Uani 1 1 d . . .
H14 H 0.6288 0.8741 0.5435 0.044 Uiso 1 1 calc R . .
C15 C 0.6834(3) 0.88556(15) 0.4297(3) 0.0299(9) Uani 1 1 d . . .
H15 H 0.6962 0.8498 0.4217 0.036 Uiso 1 1 calc R . .
C16 C 0.7437(3) 1.15299(15) 0.2479(3) 0.0256(8) Uani 1 1 d . . .
C17 C 0.7271(3) 1.22960(15) 0.3253(3) 0.0316(9) Uani 1 1 d . . .
H17 H 0.7145 1.2473 0.3772 0.038 Uiso 1 1 calc R . .
C18 C 0.7479(3) 1.25939(14) 0.2524(3) 0.0252(8) Uani 1 1 d . . .
C19 C 0.7668(3) 1.23061(14) 0.1774(3) 0.0312(9) Uani 1 1 d . . .
H19 H 0.7818 1.2491 0.1274 0.037 Uiso 1 1 calc R . .
C20 C 0.7501(3) 1.31799(15) 0.2532(3) 0.0267(8) Uani 1 1 d . . .
C21 C 0.6580(3) 1.34819(15) 0.2232(3) 0.0311(9) Uani 1 1 d . . .
C22 C 0.6590(3) 1.40263(15) 0.2212(3) 0.0354(10) Uani 1 1 d . . .
C23 C 0.7557(3) 1.42883(16) 0.2500(3) 0.0360(10) Uani 1 1 d . . .
C24 C 0.8494(3) 1.40057(16) 0.2805(3) 0.0339(9) Uani 1 1 d . . .
C25 C 0.8461(3) 1.34620(15) 0.2817(3) 0.0307(9) Uani 1 1 d . . .
C26 C 0.5217(3) 0.91386(15) 0.1198(3) 0.0315(9) Uani 1 1 d . . .
H26 H 0.5308 0.9506 0.1217 0.038 Uiso 1 1 calc R . .
C27 C 0.4219(3) 0.89310(17) 0.0694(3) 0.0363(10) Uani 1 1 d . . .
H27 H 0.3644 0.9155 0.0393 0.044 Uiso 1 1 calc R . .
C28 C 0.4083(3) 0.83874(17) 0.0642(3) 0.0362(10) Uani 1 1 d . . .
H28 H 0.3415 0.8242 0.0303 0.043 Uiso 1 1 calc R . .
C29 C 0.4941(3) 0.80613(16) 0.1094(3) 0.0317(9) Uani 1 1 d . . .
H29 H 0.4861 0.7694 0.1057 0.038 Uiso 1 1 calc R . .
C30 C 0.5926(3) 0.82860(14) 0.1605(3) 0.0275(8) Uani 1 1 d . . .
C31 C 0.6893(3) 0.79770(15) 0.2136(3) 0.0280(8) Uani 1 1 d . . .
C32 C 0.7007(3) 0.74274(15) 0.2179(3) 0.0343(9) Uani 1 1 d . . .
H32 H 0.6435 0.7209 0.1840 0.041 Uiso 1 1 calc R . .
C33 C 0.7981(3) 0.72117(15) 0.2734(3) 0.0381(10) Uani 1 1 d . . .
H33 H 0.8062 0.6844 0.2774 0.046 Uiso 1 1 calc R . .
C34 C 0.8843(3) 0.75355(16) 0.3233(3) 0.0360(10) Uani 1 1 d . . .
H34 H 0.9499 0.7390 0.3608 0.043 Uiso 1 1 calc R . .
C35 C 0.8698(3) 0.80781(15) 0.3158(3) 0.0287(9) Uani 1 1 d . . .
C36 C 0.9517(3) 0.84916(14) 0.3607(3) 0.0271(8) Uani 1 1 d . . .
C37 C 1.0568(3) 0.83790(17) 0.4161(3) 0.0359(10) Uani 1 1 d . . .
H37 H 1.0790 0.8028 0.4297 0.043 Uiso 1 1 calc R . .
C38 C 1.1284(3) 0.87870(18) 0.4512(3) 0.0411(11) Uani 1 1 d . . .
H38 H 1.1998 0.8715 0.4869 0.049 Uiso 1 1 calc R . .
C39 C 1.0929(3) 0.93045(18) 0.4325(3) 0.0422(11) Uani 1 1 d . . .
H39 H 1.1398 0.9587 0.4559 0.051 Uiso 1 1 calc R . .
C40 C 0.9870(3) 0.93951(16) 0.3786(3) 0.0333(9) Uani 1 1 d . . .
H40 H 0.9632 0.9745 0.3672 0.040 Uiso 1 1 calc R . .
C41 C 0.6324(4) 0.7709(2) 0.9382(4) 0.0517(12) Uani 1 1 d . . .
C42 C 0.5307(4) 0.7940(2) 0.8807(4) 0.0685(16) Uani 1 1 d . . .
H42A H 0.5288 0.8305 0.8992 0.082 Uiso 1 1 calc R . .
H42B H 0.4738 0.7749 0.8930 0.082 Uiso 1 1 calc R . .
H42C H 0.5218 0.7919 0.8115 0.082 Uiso 1 1 calc R . .
C43 C 0.5799(5) 0.9408(2) 0.8535(5) 0.0671(16) Uani 1 1 d . . .
C44 C 0.6085(7) 0.9220(4) 0.7729(5) 0.135(4) Uani 1 1 d . . .
H44A H 0.6734 0.9018 0.7974 0.162 Uiso 1 1 calc R . .
H44B H 0.6192 0.9517 0.7352 0.162 Uiso 1 1 calc R . .
H44C H 0.5522 0.8999 0.7314 0.162 Uiso 1 1 calc R . .
C45 C 0.9551(6) 0.8812(4) 0.6121(5) 0.090(2) Uani 1 1 d . . .
C46 C 0.9678(5) 0.8250(3) 0.6315(5) 0.096(2) Uani 1 1 d . . .
H46A H 0.9851 0.8187 0.7011 0.115 Uiso 1 1 calc R . .
H46B H 1.0244 0.8117 0.6104 0.115 Uiso 1 1 calc R . .
H46C H 0.9022 0.8070 0.5958 0.115 Uiso 1 1 calc R . .
O10 O 0.8752(14) 0.5835(7) 0.2670(13) 0.084(5) Uiso 0.25 1 d P . .
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
N2 Ru1 N7 178.14(12) . . ?
N2 Ru1 N3 79.29(12) . . ?
N7 Ru1 N3 100.41(12) . . ?
N2 Ru1 N6 102.93(11) . . ?
N7 Ru1 N6 78.90(11) . . ?
N3 Ru1 N6 90.41(12) . . ?
N2 Ru1 N1 79.36(12) . . ?
N7 Ru1 N1 100.96(12) . . ?
N3 Ru1 N1 158.63(12) . . ?
N6 Ru1 N1 93.44(12) . . ?
N2 Ru1 N8 99.01(11) . . ?
N7 Ru1 N8 79.17(12) . . ?
N3 Ru1 N8 93.61(12) . . ?
N6 Ru1 N8 158.07(12) . . ?
N1 Ru1 N8 90.63(12) . . ?
C1 N1 C5 118.2(3) . . ?
C1 N1 Ru1 127.9(3) . . ?
C5 N1 Ru1 113.8(2) . . ?
C10 N2 C6 121.4(3) . . ?
C10 N2 Ru1 119.3(2) . . ?
C6 N2 Ru1 119.2(2) . . ?
C15 N3 C11 118.1(3) . . ?
C15 N3 Ru1 127.8(3) . . ?
C11 N3 Ru1 114.1(2) . . ?
C19 N4 C16 116.5(3) . . ?
C17 N5 C16 116.4(3) . . ?
C26 N6 C30 118.2(3) . . ?
C26 N6 Ru1 127.2(2) . . ?
C30 N6 Ru1 114.5(2) . . ?
C31 N7 C35 122.0(3) . . ?
C31 N7 Ru1 119.1(2) . . ?
C35 N7 Ru1 118.9(2) . . ?
C40 N8 C36 117.8(3) . . ?
C40 N8 Ru1 127.8(3) . . ?
C36 N8 Ru1 114.4(2) . . ?
O2 N9 O1 120.2(3) . . ?
O2 N9 O3 119.9(3) . . ?
O1 N9 O3 119.9(3) . . ?
O6 N10 O4 119.9(3) . . ?
O6 N10 O5 120.0(3) . . ?
O4 N10 O5 120.0(3) . . ?
N1 C1 C2 122.7(4) . . ?
C3 C2 C1 118.9(4) . . ?
C2 C3 C4 119.8(4) . . ?
C3 C4 C5 119.1(4) . . ?
N1 C5 C4 121.2(3) . . ?
N1 C5 C6 114.8(3) . . ?
C4 C5 C6 124.0(3) . . ?
N2 C6 C7 120.2(3) . . ?
N2 C6 C5 112.6(3) . . ?
C7 C6 C5 127.2(3) . . ?
C6 C7 C8 119.3(3) . . ?
C7 C8 C9 119.7(3) . . ?
C7 C8 C16 120.4(3) . . ?
C9 C8 C16 119.8(3) . . ?
C10 C9 C8 118.9(3) . . ?
N2 C10 C9 120.4(3) . . ?
N2 C10 C11 112.7(3) . . ?
C9 C10 C11 126.9(3) . . ?
N3 C11 C12 121.5(3) . . ?
N3 C11 C10 114.6(3) . . ?
C12 C11 C10 123.9(3) . . ?
C13 C12 C11 119.2(4) . . ?
C12 C13 C14 119.7(4) . . ?
C15 C14 C13 118.8(4) . . ?
N3 C15 C14 122.7(4) . . ?
N5 C16 N4 125.9(3) . . ?
N5 C16 C8 117.2(3) . . ?
N4 C16 C8 117.0(3) . . ?
N5 C17 C18 122.6(4) . . ?
C17 C18 C19 115.9(3) . . ?
C17 C18 C20 122.9(4) . . ?
C19 C18 C20 121.3(3) . . ?
N4 C19 C18 122.8(4) . . ?
C21 C20 C25 115.9(4) . . ?
C21 C20 C18 122.4(3) . . ?
C25 C20 C18 121.7(3) . . ?
F1 C21 C22 117.6(3) . . ?
F1 C21 C20 119.4(3) . . ?
C22 C21 C20 122.9(4) . . ?
F2 C22 C21 121.6(4) . . ?
F2 C22 C23 119.3(4) . . ?
C21 C22 C23 119.1(4) . . ?
F3 C23 C24 119.9(4) . . ?
F3 C23 C22 120.0(4) . . ?
C24 C23 C22 120.1(4) . . ?
F4 C24 C25 120.9(4) . . ?
F4 C24 C23 119.6(4) . . ?
C25 C24 C23 119.6(4) . . ?
F5 C25 C24 118.6(3) . . ?
F5 C25 C20 119.1(3) . . ?
C24 C25 C20 122.3(4) . . ?
N6 C26 C27 122.1(3) . . ?
C28 C27 C26 119.3(4) . . ?
C29 C28 C27 119.6(4) . . ?
C28 C29 C30 119.3(4) . . ?
N6 C30 C29 121.4(3) . . ?
N6 C30 C31 114.5(3) . . ?
C29 C30 C31 124.0(3) . . ?
N7 C31 C32 119.4(3) . . ?
N7 C31 C30 113.0(3) . . ?
C32 C31 C30 127.6(3) . . ?
C33 C32 C31 118.9(4) . . ?
C32 C33 C34 121.0(4) . . ?
C35 C34 C33 118.2(4) . . ?
N7 C35 C34 120.5(4) . . ?
N7 C35 C36 112.7(3) . . ?
C34 C35 C36 126.7(3) . . ?
N8 C36 C37 121.5(3) . . ?
N8 C36 C35 114.8(3) . . ?
C37 C36 C35 123.7(3) . . ?
C38 C37 C36 119.8(4) . . ?
C37 C38 C39 119.1(4) . . ?
C40 C39 C38 118.8(4) . . ?
N8 C40 C39 123.0(4) . . ?
N12 C41 C42 179.9(8) . . ?
N13 C43 C44 177.8(9) . . ?
N14 C45 C46 178.0(9) . . ?
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 N2 1.966(3) . ?
Ru1 N7 1.981(3) . ?
Ru1 N3 2.059(3) . ?
Ru1 N6 2.061(3) . ?
Ru1 N1 2.064(3) . ?
Ru1 N8 2.065(3) . ?
F1 C21 1.351(4) . ?
F2 C22 1.343(4) . ?
F3 C23 1.350(5) . ?
F4 C24 1.341(4) . ?
F5 C25 1.346(4) . ?
O1 N9 1.246(4) . ?
O2 N9 1.244(4) . ?
O3 N9 1.254(4) . ?
O4 N10 1.248(4) . ?
O5 N10 1.249(4) . ?
O6 N10 1.241(4) . ?
N1 C1 1.346(5) . ?
N1 C5 1.380(5) . ?
N2 C10 1.352(4) . ?
N2 C6 1.362(5) . ?
N3 C15 1.348(5) . ?
N3 C11 1.374(5) . ?
N4 C19 1.329(5) . ?
N4 C16 1.337(5) . ?
N5 C17 1.336(5) . ?
N5 C16 1.337(5) . ?
N6 C26 1.351(5) . ?
N6 C30 1.371(5) . ?
N7 C31 1.349(5) . ?
N7 C35 1.351(5) . ?
N8 C40 1.345(5) . ?
N8 C36 1.362(5) . ?
N12 C41 1.136(6) . ?
N13 C43 1.110(8) . ?
N14 C45 1.108(10) . ?
C1 C2 1.384(6) . ?
C2 C3 1.377(6) . ?
C3 C4 1.385(5) . ?
C4 C5 1.387(5) . ?
C5 C6 1.473(5) . ?
C6 C7 1.373(5) . ?
C7 C8 1.398(5) . ?
C8 C9 1.398(5) . ?
C8 C16 1.488(5) . ?
C9 C10 1.383(5) . ?
C10 C11 1.475(5) . ?
C11 C12 1.384(5) . ?
C12 C13 1.382(5) . ?
C13 C14 1.383(6) . ?
C14 C15 1.379(6) . ?
C17 C18 1.388(5) . ?
C18 C19 1.388(5) . ?
C18 C20 1.475(5) . ?
C20 C21 1.378(5) . ?
C20 C25 1.394(5) . ?
C21 C22 1.370(5) . ?
C22 C23 1.376(6) . ?
C23 C24 1.369(6) . ?
C24 C25 1.369(5) . ?
C26 C27 1.378(5) . ?
C27 C28 1.378(6) . ?
C28 C29 1.375(5) . ?
C29 C30 1.385(5) . ?
C30 C31 1.473(5) . ?
C31 C32 1.390(5) . ?
C32 C33 1.379(6) . ?
C33 C34 1.390(6) . ?
C34 C35 1.377(5) . ?
C35 C36 1.485(5) . ?
C36 C37 1.381(5) . ?
C37 C38 1.373(6) . ?
C38 C39 1.379(6) . ?
C39 C40 1.375(5) . ?
C41 C42 1.445(7) . ?
C43 C44 1.415(9) . ?
C45 C46 1.439(11) . ?
