#------------------------------------------------------------------------------
#$Date: 2020-12-06 10:38:51 +0200 (Sun, 06 Dec 2020) $
#$Revision: 259583 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/16/7241668.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_7241668
loop_
_publ_author_name
'Muddassir, Mohd.'
_publ_section_title
;
 Blue light-induced low mechanical stability of ruthenium-based
 coordination bonds: an AFM-based single-molecule force spectroscopy study
;
_journal_issue                   66
_journal_name_full               'RSC Advances'
_journal_page_first              40543
_journal_page_last               40551
_journal_paper_doi               10.1039/D0RA07274E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C30 H28 N8 Ru2(F6P)'
_chemical_formula_sum            'C30 H28 F12 N8 O0 P2 Ru'
_chemical_formula_weight         891.61
_chemical_name_common            Ru(II)
_chemical_name_systematic        'C30 H28 N8 Ru2(F6P)'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2015-07-31 deposited with the CCDC.	2020-10-26 downloaded from the CCDC.
;
_cell_angle_alpha                104.401(5)
_cell_angle_beta                 98.576(6)
_cell_angle_gamma                108.158(5)
_cell_formula_units_Z            2
_cell_length_a                   10.768(4)
_cell_length_b                   11.890(4)
_cell_length_c                   16.120(6)
_cell_measurement_temperature    296(2)
_cell_volume                     1841.0(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_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  0.0918
_diffrn_reflns_av_sigmaI/netI    0.1616
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12100
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_T_max  0.8932
_exptl_absorpt_correction_T_min  0.8579
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Square
_exptl_crystal_F_000             892
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.754
_refine_diff_density_min         -3.072
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.234
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         6290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.234
_refine_ls_R_factor_all          0.1834
_refine_ls_R_factor_gt           0.1384
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3396
_refine_ls_wR_factor_ref         0.3835
_reflns_number_gt                3895
_reflns_number_total             6290
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0ra07274e2.cif
_cod_data_source_block           1-sr
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1841.1(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7241668
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 0.68890(4) 0.82550(3) 0.73387(2) 0.04302(11) Uani 1 1 d . . .
C1 C 0.4427(5) 0.6618(5) 0.5971(3) 0.0560(15) Uani 1 1 d . . .
C2 C 0.3320(6) 0.6239(6) 0.5301(4) 0.076(2) Uani 1 1 d . . .
H2 H 0.2872 0.5394 0.4996 0.092 Uiso 1 1 calc R . .
C3 C 0.2870(6) 0.7075(5) 0.5078(4) 0.081(2) Uani 1 1 d . . .
H3 H 0.2067 0.6810 0.4652 0.097 Uiso 1 1 calc R . .
C4 C 0.3569(6) 0.8284(6) 0.5462(5) 0.099(2) Uani 1 1 d . . .
H4 H 0.3285 0.8875 0.5295 0.119 Uiso 1 1 calc R . .
C5 C 0.4711(5) 0.8636(5) 0.6107(4) 0.0645(16) Uani 1 1 d . . .
H5 H 0.5198 0.9486 0.6366 0.077 Uiso 1 1 calc R . .
C6 C 0.6770(5) 1.0829(4) 0.8049(3) 0.0539(14) Uani 1 1 d . . .
H6 H 0.5876 1.0385 0.8019 0.065 Uiso 1 1 calc R . .
C7 C 0.7289(5) 1.2108(4) 0.8407(3) 0.0566(16) Uani 1 1 d . . .
H7 H 0.6727 1.2499 0.8627 0.068 Uiso 1 1 calc R . .
C8 C 0.8570(5) 1.2830(4) 0.8459(3) 0.0548(16) Uani 1 1 d . . .
C9 C 0.9334(5) 1.2181(4) 0.8106(3) 0.0522(15) Uani 1 1 d . . .
H9 H 1.0218 1.2608 0.8104 0.063 Uiso 1 1 calc R . .
C10 C 0.8805(5) 1.0953(4) 0.7772(3) 0.0504(14) Uani 1 1 d . . .
H10 H 0.9354 1.0559 0.7535 0.060 Uiso 1 1 calc R . .
C11 C 0.9753(5) 0.8640(4) 0.8287(3) 0.051 Uani 1 1 d . . .
H11 H 0.9993 0.8778 0.7780 0.061 Uiso 1 1 calc R . .
C12 C 1.0726(5) 0.8658(5) 0.8937(4) 0.0600(17) Uani 1 1 d . . .
H12 H 1.1597 0.8768 0.8876 0.072 Uiso 1 1 calc R . .
C13 C 0.8158(5) 0.8380(4) 0.9086(3) 0.0514(15) Uani 1 1 d . . .
C14 C 0.9050(5) 0.8353(5) 0.9800(4) 0.0650(17) Uani 1 1 d . . .
H14 H 0.8795 0.8243 1.0309 0.078 Uiso 1 1 calc R . .
C15 C 0.7888(5) 0.8953(4) 0.5799(3) 0.056 Uani 1 1 d . . .
H15 H 0.7475 0.9534 0.5924 0.067 Uiso 1 1 calc R . .
C16 C 0.8448(5) 0.8875(4) 0.5115(3) 0.053 Uani 1 1 d . . .
H16 H 0.8407 0.9398 0.4776 0.063 Uiso 1 1 calc R . .
C17 C 0.9091(5) 0.8037(5) 0.4890(3) 0.0596(16) Uani 1 1 d . . .
C18 C 0.4972(5) 0.5775(5) 0.6327(3) 0.0530(15) Uani 1 1 d . . .
C19 C 0.4353(6) 0.4496(5) 0.6035(4) 0.068(2) Uani 1 1 d . . .
H19 H 0.3565 0.4118 0.5584 0.082 Uiso 1 1 calc R . .
C20 C 0.4883(7) 0.3790(6) 0.6399(4) 0.079(2) Uani 1 1 d . . .
H20 H 0.4431 0.2932 0.6222 0.095 Uiso 1 1 calc R . .
C21 C 0.6067(6) 0.4321(5) 0.7021(4) 0.0687(19) Uani 1 1 d . . .
H21 H 0.6478 0.3846 0.7252 0.082 Uiso 1 1 calc R . .
C22 C 0.6754(5) 0.8257(4) 0.9112(3) 0.0532(15) Uani 1 1 d . . .
C23 C 0.8581(4) 0.7450(4) 0.6117(3) 0.0449(13) Uani 1 1 d . . .
H23 H 0.8645 0.6956 0.6475 0.054 Uiso 1 1 calc R . .
C24 C 0.9184(5) 0.7331(4) 0.5432(4) 0.0567(16) Uani 1 1 d . . .
H24 H 0.9645 0.6786 0.5336 0.068 Uiso 1 1 calc R . .
C25 C 1.0344(6) 0.8502(6) 0.9697(4) 0.078(2) Uani 1 1 d . . .
H25 H 1.0978 0.8498 1.0155 0.093 Uiso 1 1 calc R . .
C26 C 0.6321(6) 0.8283(5) 0.9885(4) 0.070(2) Uani 1 1 d . . .
H26 H 0.6881 0.8329 1.0401 0.084 Uiso 1 1 calc R . .
C27 C 0.4980(8) 0.8233(8) 0.9843(5) 0.102(3) Uani 1 1 d . . .
H27 H 0.4644 0.8276 1.0344 0.123 Uiso 1 1 calc R . .
C28 C 0.4195(6) 0.8125(6) 0.9073(4) 0.076(2) Uani 1 1 d . . .
H28 H 0.3295 0.8031 0.9031 0.091 Uiso 1 1 calc R . .
C29 C 0.4723(5) 0.8152(5) 0.8342(4) 0.0589(16) Uani 1 1 d . . .
H29 H 0.4173 0.8103 0.7821 0.071 Uiso 1 1 calc R . .
C30 C 0.6639(6) 0.5626(4) 0.7297(3) 0.0640(17) Uani 1 1 d . . .
H30 H 0.7422 0.6018 0.7751 0.077 Uiso 1 1 calc R . .
F2 F 0.2549(4) 0.2058(4) 0.7176(3) 0.1045(15) Uani 1 1 d . . .
F3 F 0.1484(5) 0.0013(4) 0.6753(3) 0.1074(18) Uani 1 1 d . . .
F5 F 0.1443(6) 0.6906(4) 0.7195(3) 0.123(2) Uani 1 1 d . . .
F6 F 0.0240(6) 0.5145(5) 0.6057(3) 0.135(2) Uani 1 1 d . . .
F8 F 0.3119(5) -0.0042(4) 0.7785(3) 0.1255(18) Uani 1 1 d . . .
F9 F 0.2088(4) 0.5264(5) 0.6959(4) 0.153(2) Uani 1 1 d . . .
F10 F 0.1306(5) 0.5859(5) 0.8133(3) 0.129(2) Uani 1 1 d . . .
F11 F -0.0465(4) 0.5765(4) 0.7235(4) 0.136(2) Uani 1 1 d . . .
F12 F 0.1977(4) 0.1190(4) 0.8171(3) 0.1112(17) Uani 1 1 d . . .
F13 F 0.3732(5) 0.0910(4) 0.6776(3) 0.1165(17) Uani 1 1 d . . .
F14 F 0.0096(5) 0.4094(3) 0.7069(3) 0.1320(18) Uani 1 1 d . . .
F1 F 0.4096(4) 0.1958(4) 0.8174(3) 0.0901(14) Uani 1 1 d . . .
N1 N 0.8431(4) 0.8433(3) 0.8328(3) 0.049 Uani 1 1 d . . .
N2 N 0.7560(4) 1.0217(3) 0.7741(3) 0.0534(11) Uani 1 1 d . . .
N3 N 0.5178(4) 0.7863(4) 0.6391(3) 0.0504(12) Uani 1 1 d . . .
N4 N 0.9019(6) 1.4078(4) 0.8821(4) 0.080(2) Uani 1 1 d . . .
H4A H 0.8491 1.4428 0.9024 0.096 Uiso 1 1 calc R . .
H4B H 0.9834 1.4524 0.8849 0.096 Uiso 1 1 calc R . .
N5 N 0.7897(4) 0.8217(3) 0.6325(2) 0.0452(11) Uani 1 1 d . . .
N6 N 0.6014(4) 0.8248(3) 0.8361(3) 0.0469(12) Uani 1 1 d . . .
N7 N 0.6124(4) 0.6341(3) 0.6945(2) 0.0459(11) Uani 1 1 d . . .
N8 N 0.9701(5) 0.7985(5) 0.4204(3) 0.0726(17) Uani 1 1 d . . .
H8A H 1.0152 0.7503 0.4108 0.087 Uiso 1 1 calc R . .
H8B H 0.9634 0.8434 0.3868 0.087 Uiso 1 1 calc R . .
P1 P 0.28295(15) 0.09965(14) 0.74659(10) 0.0626(5) Uani 1 1 d . . .
P2 P 0.07834(16) 0.54948(14) 0.71156(12) 0.0669(5) 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 0.0000 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
N6 Ru1 N1 77.94(17) . . ?
N6 Ru1 N3 96.84(17) . . ?
N1 Ru1 N3 171.81(17) . . ?
N6 Ru1 N7 88.27(16) . . ?
N1 Ru1 N7 94.64(15) . . ?
N3 Ru1 N7 78.78(16) . . ?
N6 Ru1 N5 175.81(16) . . ?
N1 Ru1 N5 98.23(17) . . ?
N3 Ru1 N5 86.78(17) . . ?
N7 Ru1 N5 90.36(15) . . ?
N6 Ru1 N2 89.84(16) . . ?
N1 Ru1 N2 87.61(15) . . ?
N3 Ru1 N2 98.77(16) . . ?
N7 Ru1 N2 176.70(16) . . ?
N5 Ru1 N2 91.71(15) . . ?
C2 C1 N3 121.5(6) . . ?
C2 C1 C18 125.2(5) . . ?
N3 C1 C18 113.2(4) . . ?
C3 C2 C1 120.1(6) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.1(6) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 118.3(7) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N3 C5 C4 124.9(5) . . ?
N3 C5 H5 117.6 . . ?
C4 C5 H5 117.6 . . ?
N2 C6 C7 120.1(5) . . ?
N2 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C8 C7 C6 123.9(5) . . ?
C8 C7 H7 118.1 . . ?
C6 C7 H7 118.1 . . ?
N4 C8 C7 121.0(6) . . ?
N4 C8 C9 124.4(5) . . ?
C7 C8 C9 114.6(4) . . ?
C10 C9 C8 119.9(5) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 N2 126.6(5) . . ?
C9 C10 H10 116.7 . . ?
N2 C10 H10 116.7 . . ?
C12 C11 N1 124.5(5) . . ?
C12 C11 H11 117.8 . . ?
N1 C11 H11 117.8 . . ?
C11 C12 C25 116.1(5) . . ?
C11 C12 H12 122.0 . . ?
C25 C12 H12 122.0 . . ?
N1 C13 C14 124.7(5) . . ?
N1 C13 C22 113.8(4) . . ?
C14 C13 C22 121.3(5) . . ?
C25 C14 C13 115.4(6) . . ?
C25 C14 H14 122.3 . . ?
C13 C14 H14 122.3 . . ?
C16 C15 N5 122.7(5) . . ?
C16 C15 H15 118.6 . . ?
N5 C15 H15 118.6 . . ?
C15 C16 C17 122.0(5) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
N8 C17 C24 121.0(6) . . ?
N8 C17 C16 122.0(6) . . ?
C24 C17 C16 116.8(5) . . ?
N7 C18 C19 121.3(5) . . ?
N7 C18 C1 115.3(4) . . ?
C19 C18 C1 123.3(5) . . ?
C20 C19 C18 120.3(5) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.6(6) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C30 116.3(6) . . ?
C20 C21 H21 121.8 . . ?
C30 C21 H21 121.8 . . ?
N6 C22 C26 124.4(5) . . ?
N6 C22 C13 113.8(5) . . ?
C26 C22 C13 121.4(5) . . ?
N5 C23 C24 126.2(5) . . ?
N5 C23 H23 116.9 . . ?
C24 C23 H23 116.9 . . ?
C23 C24 C17 118.0(5) . . ?
C23 C24 H24 121.0 . . ?
C17 C24 H24 121.0 . . ?
C12 C25 C14 122.4(6) . . ?
C12 C25 H25 118.8 . . ?
C14 C25 H25 118.8 . . ?
C22 C26 C27 116.3(6) . . ?
C22 C26 H26 121.8 . . ?
C27 C26 H26 121.8 . . ?
C28 C27 C26 119.6(8) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.2(7) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
N6 C29 C28 122.2(5) . . ?
N6 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
N7 C30 C21 123.8(5) . . ?
N7 C30 H30 118.1 . . ?
C21 C30 H30 118.1 . . ?
C13 N1 C11 116.3(4) . . ?
C13 N1 Ru1 117.3(3) . . ?
C11 N1 Ru1 126.4(3) . . ?
C10 N2 C6 114.8(4) . . ?
C10 N2 Ru1 123.7(4) . . ?
C6 N2 Ru1 121.3(3) . . ?
C5 N3 C1 114.9(4) . . ?
C5 N3 Ru1 129.2(3) . . ?
C1 N3 Ru1 115.9(4) . . ?
C8 N4 H4A 120.0 . . ?
C8 N4 H4B 120.0 . . ?
H4A N4 H4B 120.0 . . ?
C23 N5 C15 114.0(5) . . ?
C23 N5 Ru1 123.7(3) . . ?
C15 N5 Ru1 122.3(4) . . ?
C22 N6 C29 116.9(5) . . ?
C22 N6 Ru1 116.9(4) . . ?
C29 N6 Ru1 126.0(4) . . ?
C18 N7 C30 117.5(4) . . ?
C18 N7 Ru1 116.7(4) . . ?
C30 N7 Ru1 125.7(3) . . ?
C17 N8 H8A 120.0 . . ?
C17 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
F1 P1 F2 90.2(2) . . ?
F1 P1 F8 88.5(2) . . ?
F2 P1 F8 178.3(3) . . ?
F1 P1 F12 88.2(2) . . ?
F2 P1 F12 88.2(3) . . ?
F8 P1 F12 90.6(3) . . ?
F1 P1 F13 89.1(2) . . ?
F2 P1 F13 88.6(3) . . ?
F8 P1 F13 92.5(3) . . ?
F12 P1 F13 175.8(3) . . ?
F1 P1 F3 178.0(3) . . ?
F2 P1 F3 89.3(2) . . ?
F8 P1 F3 91.9(3) . . ?
F12 P1 F3 89.8(2) . . ?
F13 P1 F3 92.9(2) . . ?
F11 P2 F10 90.4(3) . . ?
F11 P2 F9 176.8(4) . . ?
F10 P2 F9 91.6(3) . . ?
F11 P2 F5 86.2(3) . . ?
F10 P2 F5 88.5(3) . . ?
F9 P2 F5 91.3(3) . . ?
F11 P2 F14 92.1(3) . . ?
F10 P2 F14 89.8(3) . . ?
F9 P2 F14 90.5(3) . . ?
F5 P2 F14 177.6(3) . . ?
F11 P2 F6 89.1(4) . . ?
F10 P2 F6 178.8(3) . . ?
F9 P2 F6 88.9(3) . . ?
F5 P2 F6 90.4(3) . . ?
F14 P2 F6 91.3(3) . . ?
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 N6 2.017(5) . ?
Ru1 N1 2.042(4) . ?
Ru1 N3 2.053(4) . ?
Ru1 N7 2.054(4) . ?
Ru1 N5 2.091(4) . ?
Ru1 N2 2.108(4) . ?
C1 C2 1.353(8) . ?
C1 N3 1.377(6) . ?
C1 C18 1.493(8) . ?
C2 C3 1.333(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.327(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(8) . ?
C4 H4 0.9300 . ?
C5 N3 1.319(7) . ?
C5 H5 0.9300 . ?
C6 N2 1.354(7) . ?
C6 C7 1.376(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.357(7) . ?
C7 H7 0.9300 . ?
C8 N4 1.346(7) . ?
C8 C9 1.383(8) . ?
C9 C10 1.321(6) . ?
C9 H9 0.9300 . ?
C10 N2 1.338(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.357(7) . ?
C11 N1 1.381(7) . ?
C11 H11 0.9300 . ?
C12 C25 1.385(9) . ?
C12 H12 0.9300 . ?
C13 N1 1.311(7) . ?
C13 C14 1.399(8) . ?
C13 C22 1.481(8) . ?
C14 C25 1.389(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.331(8) . ?
C15 N5 1.362(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.390(8) . ?
C16 H16 0.9300 . ?
C17 N8 1.366(8) . ?
C17 C24 1.367(8) . ?
C18 N7 1.328(6) . ?
C18 C19 1.377(7) . ?
C19 C20 1.349(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.353(9) . ?
C20 H20 0.9300 . ?
C21 C30 1.401(7) . ?
C21 H21 0.9300 . ?
C22 N6 1.342(7) . ?
C22 C26 1.390(9) . ?
C23 N5 1.352(7) . ?
C23 C24 1.361(8) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.418(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.345(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.386(9) . ?
C28 H28 0.9300 . ?
C29 N6 1.354(7) . ?
C29 H29 0.9300 . ?
C30 N7 1.339(7) . ?
C30 H30 0.9300 . ?
F2 P1 1.546(5) . ?
F3 P1 1.602(4) . ?
F5 P2 1.568(4) . ?
F6 P2 1.620(5) . ?
F8 P1 1.547(5) . ?
F9 P2 1.557(5) . ?
F10 P2 1.553(5) . ?
F11 P2 1.505(5) . ?
F12 P1 1.581(5) . ?
F13 P1 1.587(5) . ?
F14 P2 1.575(4) . ?
F1 P1 1.544(4) . ?
N4 H4A 0.8600 . ?
N4 H4B 0.8600 . ?
N8 H8A 0.8600 . ?
N8 H8B 0.8600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 C1 C2 C3 -5.2(10) . . . . ?
C18 C1 C2 C3 175.3(6) . . . . ?
C1 C2 C3 C4 5.5(11) . . . . ?
C2 C3 C4 C5 -2.6(12) . . . . ?
C3 C4 C5 N3 -0.8(11) . . . . ?
N2 C6 C7 C8 1.6(8) . . . . ?
C6 C7 C8 N4 -179.7(6) . . . . ?
C6 C7 C8 C9 1.0(8) . . . . ?
N4 C8 C9 C10 179.4(6) . . . . ?
C7 C8 C9 C10 -1.3(8) . . . . ?
C8 C9 C10 N2 -1.0(9) . . . . ?
N1 C11 C12 C25 -2.6(7) . . . . ?
N1 C13 C14 C25 5.7(8) . . . . ?
C22 C13 C14 C25 -178.8(5) . . . . ?
N5 C15 C16 C17 -0.4(7) . . . . ?
C15 C16 C17 N8 -177.9(4) . . . . ?
C15 C16 C17 C24 -3.1(7) . . . . ?
C2 C1 C18 N7 175.5(6) . . . . ?
N3 C1 C18 N7 -4.0(7) . . . . ?
C2 C1 C18 C19 -3.5(10) . . . . ?
N3 C1 C18 C19 177.0(6) . . . . ?
N7 C18 C19 C20 2.6(10) . . . . ?
C1 C18 C19 C20 -178.4(6) . . . . ?
C18 C19 C20 C21 -3.7(11) . . . . ?
C19 C20 C21 C30 4.3(11) . . . . ?
N1 C13 C22 N6 -1.3(6) . . . . ?
C14 C13 C22 N6 -177.3(4) . . . . ?
N1 C13 C22 C26 -175.1(5) . . . . ?
C14 C13 C22 C26 8.9(7) . . . . ?
N5 C23 C24 C17 -0.7(7) . . . . ?
N8 C17 C24 C23 178.4(4) . . . . ?
C16 C17 C24 C23 3.6(6) . . . . ?
C11 C12 C25 C14 -0.8(8) . . . . ?
C13 C14 C25 C12 -0.5(8) . . . . ?
N6 C22 C26 C27 3.2(8) . . . . ?
C13 C22 C26 C27 176.3(5) . . . . ?
C22 C26 C27 C28 2.2(10) . . . . ?
C26 C27 C28 C29 -4.7(11) . . . . ?
C27 C28 C29 N6 2.1(9) . . . . ?
C20 C21 C30 N7 -4.1(10) . . . . ?
C14 C13 N1 C11 -8.8(7) . . . . ?
C22 C13 N1 C11 175.3(4) . . . . ?
C14 C13 N1 Ru1 173.0(4) . . . . ?
C22 C13 N1 Ru1 -2.9(5) . . . . ?
C12 C11 N1 C13 7.3(7) . . . . ?
C12 C11 N1 Ru1 -174.7(4) . . . . ?
N6 Ru1 N1 C13 4.2(3) . . . . ?
N3 Ru1 N1 C13 -46.8(13) . . . . ?
N7 Ru1 N1 C13 -83.0(4) . . . . ?
N5 Ru1 N1 C13 -174.1(3) . . . . ?
N2 Ru1 N1 C13 94.6(4) . . . . ?
N6 Ru1 N1 C11 -173.8(4) . . . . ?
N3 Ru1 N1 C11 135.2(11) . . . . ?
N7 Ru1 N1 C11 99.0(4) . . . . ?
N5 Ru1 N1 C11 7.9(4) . . . . ?
N2 Ru1 N1 C11 -83.4(4) . . . . ?
C9 C10 N2 C6 3.4(8) . . . . ?
C9 C10 N2 Ru1 -172.1(4) . . . . ?
C7 C6 N2 C10 -3.5(7) . . . . ?
C7 C6 N2 Ru1 172.0(4) . . . . ?
N6 Ru1 N2 C10 135.8(4) . . . . ?
N1 Ru1 N2 C10 57.9(4) . . . . ?
N3 Ru1 N2 C10 -127.3(4) . . . . ?
N7 Ru1 N2 C10 -169(3) . . . . ?
N5 Ru1 N2 C10 -40.3(4) . . . . ?
N6 Ru1 N2 C6 -39.4(4) . . . . ?
N1 Ru1 N2 C6 -117.3(4) . . . . ?
N3 Ru1 N2 C6 57.5(4) . . . . ?
N7 Ru1 N2 C6 16(3) . . . . ?
N5 Ru1 N2 C6 144.5(4) . . . . ?
C4 C5 N3 C1 1.1(9) . . . . ?
C4 C5 N3 Ru1 179.0(5) . . . . ?
C2 C1 N3 C5 1.9(8) . . . . ?
C18 C1 N3 C5 -178.6(5) . . . . ?
C2 C1 N3 Ru1 -176.3(5) . . . . ?
C18 C1 N3 Ru1 3.2(6) . . . . ?
N6 Ru1 N3 C5 93.9(5) . . . . ?
N1 Ru1 N3 C5 143.9(11) . . . . ?
N7 Ru1 N3 C5 -179.2(5) . . . . ?
N5 Ru1 N3 C5 -88.2(5) . . . . ?
N2 Ru1 N3 C5 3.0(5) . . . . ?
N6 Ru1 N3 C1 -88.3(4) . . . . ?
N1 Ru1 N3 C1 -38.3(13) . . . . ?
N7 Ru1 N3 C1 -1.4(4) . . . . ?
N5 Ru1 N3 C1 89.6(4) . . . . ?
N2 Ru1 N3 C1 -179.2(4) . . . . ?
C24 C23 N5 C15 -2.7(6) . . . . ?
C24 C23 N5 Ru1 175.7(3) . . . . ?
C16 C15 N5 C23 3.2(6) . . . . ?
C16 C15 N5 Ru1 -175.3(3) . . . . ?
N6 Ru1 N5 C23 27.4(19) . . . . ?
N1 Ru1 N5 C23 51.2(3) . . . . ?
N3 Ru1 N5 C23 -122.3(3) . . . . ?
N7 Ru1 N5 C23 -43.5(3) . . . . ?
N2 Ru1 N5 C23 139.0(3) . . . . ?
N6 Ru1 N5 C15 -154.3(16) . . . . ?
N1 Ru1 N5 C15 -130.5(3) . . . . ?
N3 Ru1 N5 C15 56.0(3) . . . . ?
N7 Ru1 N5 C15 134.8(3) . . . . ?
N2 Ru1 N5 C15 -42.7(3) . . . . ?
C26 C22 N6 C29 -5.7(7) . . . . ?
C13 C22 N6 C29 -179.3(4) . . . . ?
C26 C22 N6 Ru1 178.5(4) . . . . ?
C13 C22 N6 Ru1 4.9(5) . . . . ?
C28 C29 N6 C22 3.0(7) . . . . ?
C28 C29 N6 Ru1 178.4(4) . . . . ?
N1 Ru1 N6 C22 -4.9(3) . . . . ?
N3 Ru1 N6 C22 168.7(3) . . . . ?
N7 Ru1 N6 C22 90.2(3) . . . . ?
N5 Ru1 N6 C22 19.1(19) . . . . ?
N2 Ru1 N6 C22 -92.5(3) . . . . ?
N1 Ru1 N6 C29 179.7(4) . . . . ?
N3 Ru1 N6 C29 -6.7(4) . . . . ?
N7 Ru1 N6 C29 -85.2(4) . . . . ?
N5 Ru1 N6 C29 -156.2(16) . . . . ?
N2 Ru1 N6 C29 92.1(4) . . . . ?
C19 C18 N7 C30 -2.3(8) . . . . ?
C1 C18 N7 C30 178.7(5) . . . . ?
C19 C18 N7 Ru1 -178.1(5) . . . . ?
C1 C18 N7 Ru1 2.9(6) . . . . ?
C21 C30 N7 C18 3.1(9) . . . . ?
C21 C30 N7 Ru1 178.5(5) . . . . ?
N6 Ru1 N7 C18 96.4(4) . . . . ?
N1 Ru1 N7 C18 174.2(4) . . . . ?
N3 Ru1 N7 C18 -0.9(4) . . . . ?
N5 Ru1 N7 C18 -87.6(4) . . . . ?
N2 Ru1 N7 C18 41(3) . . . . ?
N6 Ru1 N7 C30 -79.0(5) . . . . ?
N1 Ru1 N7 C30 -1.3(5) . . . . ?
N3 Ru1 N7 C30 -176.4(5) . . . . ?
N5 Ru1 N7 C30 97.0(5) . . . . ?
N2 Ru1 N7 C30 -134(3) . . . . ?
