#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:47:12 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180155 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/51/7105191.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_7105191
loop_
_publ_author_name
'McKinnon, Stephen D J'
'Patrick, Brian O'
'Lever, A B P'
'Hicks, Robin G'
_publ_section_title
;
 Verdazyl radicals as redox-active, non-innocent, ligands: contrasting
 electronic structures as a function of electron-poor and electron-rich
 ruthenium bis(beta-diketonate) co-ligands.
;
_journal_issue                   5
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              773
_journal_page_last               775
_journal_paper_doi               10.1039/b919920a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C23 H32 N5 O5 Ru'
_chemical_formula_weight         559.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-10-29 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.2304(10)
_cell_length_b                   11.8338(8)
_cell_length_c                   28.860(2)
_cell_measurement_reflns_used    5131
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.54
_cell_measurement_theta_min      2.73
_cell_volume                     5201.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGx (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_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  0.0917
_diffrn_reflns_av_sigmaI/netI    0.1172
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            51808
_diffrn_reflns_theta_full        27.78
_diffrn_reflns_theta_max         27.78
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.644
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.628
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.147
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.44(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         12183
_refine_ls_number_restraints     385
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1417
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0918P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1457
_refine_ls_wR_factor_ref         0.1804
_reflns_number_gt                6593
_reflns_number_total             12183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b919920a.txt
_cod_data_source_block           rh032
_cod_original_sg_symbol_H-M      Pna21
_cod_database_code               7105191
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, 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
C1 C 0.4337(6) 0.4257(8) 0.3309(4) 0.023(2) Uani 1 1 d U . .
C2 C 0.5295(7) 0.5860(8) 0.2877(4) 0.027(2) Uani 1 1 d U . .
C3 C 0.6306(6) 0.4342(8) 0.2661(4) 0.028(2) Uani 1 1 d U . .
H3 H 0.6249 0.3505 0.2627 0.033 Uiso 1 1 calc R . .
C4 C 0.6673(7) 0.4784(9) 0.2202(4) 0.041(3) Uani 1 1 d U . .
H4A H 0.6201 0.4818 0.1972 0.061 Uiso 1 1 calc R . .
H4B H 0.7136 0.4276 0.2092 0.061 Uiso 1 1 calc R . .
H4C H 0.6917 0.5542 0.2249 0.061 Uiso 1 1 calc R . .
C5 C 0.6924(11) 0.4542(17) 0.3052(5) 0.053(2) Uani 1 1 d U . .
H5A H 0.7083 0.5344 0.3062 0.079 Uiso 1 1 calc R . .
H5B H 0.7455 0.4087 0.3007 0.079 Uiso 1 1 calc R . .
H5C H 0.6642 0.4327 0.3344 0.079 Uiso 1 1 calc R . .
C6 C 0.4391(11) 0.7314(8) 0.3331(6) 0.0362(15) Uani 1 1 d U . .
H6 H 0.4637 0.7843 0.3095 0.043 Uiso 1 1 calc R . .
C7 C 0.3461(12) 0.7524(7) 0.3362(7) 0.032(5) Uani 1 1 d U . .
H7A H 0.3187 0.7377 0.3061 0.048 Uiso 1 1 calc R . .
H7B H 0.3361 0.8313 0.3451 0.048 Uiso 1 1 calc R . .
H7C H 0.3202 0.7024 0.3596 0.048 Uiso 1 1 calc R . .
C8 C 0.4889(16) 0.7514(7) 0.3790(8) 0.044(5) Uani 1 1 d U . .
H8A H 0.4730 0.6926 0.4013 0.066 Uiso 1 1 calc R . .
H8B H 0.4732 0.8257 0.3915 0.066 Uiso 1 1 calc R . .
H8C H 0.5523 0.7487 0.3732 0.066 Uiso 1 1 calc R . .
C11 C 0.3948(7) 0.3313(9) 0.3578(4) 0.0227(11) Uani 1 1 d U . .
C12 C 0.3633(9) 0.3408(11) 0.4022(5) 0.0298(13) Uani 1 1 d U . .
H12 H 0.3548 0.4138 0.4151 0.036 Uiso 1 1 calc R . .
C13 C 0.3430(13) 0.2427(8) 0.4295(6) 0.0281(19) Uani 1 1 d U . .
H13 H 0.3246 0.2460 0.4609 0.034 Uiso 1 1 calc R . .
C14 C 0.3537(9) 0.1371(11) 0.4037(5) 0.0305(14) Uani 1 1 d U . .
H14 H 0.3395 0.0680 0.4186 0.037 Uiso 1 1 calc R . .
C15 C 0.3829(8) 0.1336(9) 0.3594(4) 0.0282(12) Uani 1 1 d U . .
H15 H 0.3882 0.0625 0.3443 0.034 Uiso 1 1 calc R . .
C21 C 0.4276(7) -0.1055(8) 0.2229(4) 0.0346(13) Uani 1 1 d U . .
H21A H 0.3706 -0.1238 0.2367 0.052 Uiso 1 1 calc R . .
H21B H 0.4666 -0.1710 0.2254 0.052 Uiso 1 1 calc R . .
H21C H 0.4196 -0.0858 0.1902 0.052 Uiso 1 1 calc R . .
C22 C 0.4681(6) -0.0056(8) 0.2485(4) 0.0218(10) Uani 1 1 d U . .
C23 C 0.5480(7) -0.0167(8) 0.2710(4) 0.0263(11) Uani 1 1 d U . .
H23 H 0.5719 -0.0907 0.2724 0.032 Uiso 1 1 calc R . .
C24 C 0.5971(7) 0.0683(9) 0.2918(4) 0.0251(11) Uani 1 1 d U . .
C25 C 0.6829(9) 0.0405(14) 0.3128(5) 0.0359(15) Uani 1 1 d U . .
H25A H 0.7281 0.0904 0.3000 0.054 Uiso 1 1 calc R . .
H25B H 0.6978 -0.0383 0.3059 0.054 Uiso 1 1 calc R . .
H25C H 0.6796 0.0510 0.3465 0.054 Uiso 1 1 calc R . .
C31 C 0.5361(8) 0.3108(9) 0.1291(4) 0.036(3) Uani 1 1 d U . .
H31A H 0.5845 0.3632 0.1353 0.054 Uiso 1 1 calc R . .
H31B H 0.4997 0.3406 0.1039 0.054 Uiso 1 1 calc R . .
H31C H 0.5598 0.2370 0.1201 0.054 Uiso 1 1 calc R . .
C32 C 0.4798(7) 0.2977(9) 0.1730(4) 0.026(2) Uani 1 1 d U . .
C33 C 0.3918(7) 0.3355(8) 0.1705(4) 0.029(2) Uani 1 1 d U . .
H33 H 0.3739 0.3703 0.1424 0.034 Uiso 1 1 calc R . .
C34 C 0.3284(6) 0.3263(7) 0.2058(4) 0.022(2) Uani 1 1 d U . .
C35 C 0.2356(6) 0.3577(9) 0.1942(4) 0.033(3) Uani 1 1 d U . .
H35A H 0.1983 0.2903 0.1958 0.049 Uiso 1 1 calc R . .
H35B H 0.2333 0.3892 0.1628 0.049 Uiso 1 1 calc R . .
H35C H 0.2144 0.4142 0.2164 0.049 Uiso 1 1 calc R . .
N1 N 0.5435(6) 0.4771(6) 0.2759(4) 0.0273(10) Uani 1 1 d U . .
N2 N 0.4850(5) 0.3916(7) 0.2942(3) 0.026(2) Uani 1 1 d U . .
N3 N 0.4559(5) 0.6109(7) 0.3162(3) 0.030(2) Uani 1 1 d U . .
N4 N 0.4204(5) 0.5293(6) 0.3451(3) 0.029(2) Uani 1 1 d U . .
N11 N 0.4052(7) 0.2300(7) 0.3357(4) 0.0210(9) Uani 1 1 d U . .
O1 O 0.5766(5) 0.6641(5) 0.2735(3) 0.045(2) Uani 1 1 d U . .
O11 O 0.4197(4) 0.0828(5) 0.2480(3) 0.0253(16) Uani 1 1 d U . .
O12 O 0.5737(4) 0.1733(5) 0.2958(3) 0.0275(16) Uani 1 1 d U . .
O21 O 0.5181(10) 0.2564(5) 0.2066(5) 0.0218(7) Uani 1 1 d U . .
O22 O 0.3406(4) 0.2917(7) 0.2478(3) 0.0272(16) Uani 1 1 d U . .
Ru1 Ru 0.45924(10) 0.24117(7) 0.27103(2) 0.0165(4) Uani 1 1 d . . .
C41 C 0.3148(6) -0.4262(7) 0.0032(4) 0.021(2) Uani 1 1 d U . .
C43 C 0.1171(7) -0.4345(8) 0.0697(4) 0.032(3) Uani 1 1 d U . .
H43 H 0.1231 -0.3509 0.0734 0.038 Uiso 1 1 calc R . .
C44 C 0.0802(7) -0.4795(10) 0.1152(4) 0.042(3) Uani 1 1 d U . .
H44A H 0.0733 -0.5617 0.1131 0.063 Uiso 1 1 calc R . .
H44B H 0.0230 -0.4447 0.1212 0.063 Uiso 1 1 calc R . .
H44C H 0.1206 -0.4611 0.1405 0.063 Uiso 1 1 calc R . .
C45 C 0.0507(11) -0.4546(16) 0.0291(6) 0.053(2) Uani 1 1 d U . .
H45A H 0.0662 -0.4059 0.0029 0.079 Uiso 1 1 calc R . .
H45B H -0.0089 -0.4367 0.0395 0.079 Uiso 1 1 calc R . .
H45C H 0.0533 -0.5339 0.0194 0.079 Uiso 1 1 calc R . .
C46 C 0.3025(11) -0.7328(9) 0.0029(6) 0.0362(15) Uani 1 1 d U . .
H46 H 0.2792 -0.7839 0.0276 0.043 Uiso 1 1 calc R . .
C47 C 0.4032(17) -0.7555(10) -0.0023(9) 0.068(9) Uani 1 1 d U . .
H47A H 0.4126 -0.8336 -0.0125 0.102 Uiso 1 1 calc R . .
H47B H 0.4322 -0.7436 0.0276 0.102 Uiso 1 1 calc R . .
H47C H 0.4279 -0.7035 -0.0253 0.102 Uiso 1 1 calc R . .
C48 C 0.253(2) -0.7571(13) -0.0416(9) 0.085(9) Uani 1 1 d U . .
H48A H 0.2874 -0.7321 -0.0683 0.128 Uiso 1 1 calc R . .
H48B H 0.1965 -0.7165 -0.0413 0.128 Uiso 1 1 calc R . .
H48C H 0.2414 -0.8385 -0.0441 0.128 Uiso 1 1 calc R . .
C51 C 0.3530(7) -0.3318(9) -0.0211(4) 0.0227(11) Uani 1 1 d U . .
C52 C 0.3910(9) -0.3404(11) -0.0663(5) 0.0298(13) Uani 1 1 d U . .
H52 H 0.3994 -0.4108 -0.0814 0.036 Uiso 1 1 calc R . .
C53 C 0.4139(14) -0.2418(7) -0.0857(6) 0.0281(19) Uani 1 1 d U . .
H53 H 0.4415 -0.2450 -0.1152 0.034 Uiso 1 1 calc R . .
C54 C 0.4017(9) -0.1416(11) -0.0677(5) 0.0305(14) Uani 1 1 d U . .
H54 H 0.4173 -0.0749 -0.0840 0.037 Uiso 1 1 calc R . .
C55 C 0.3642(8) -0.1366(9) -0.0226(5) 0.0282(12) Uani 1 1 d U . .
H55 H 0.3552 -0.0657 -0.0080 0.034 Uiso 1 1 calc R . .
C61 C 0.3202(7) 0.1024(8) 0.1120(4) 0.0346(13) Uani 1 1 d U . .
H61A H 0.3158 0.0906 0.1455 0.052 Uiso 1 1 calc R . .
H61B H 0.2884 0.1714 0.1035 0.052 Uiso 1 1 calc R . .
H61C H 0.3821 0.1100 0.1032 0.052 Uiso 1 1 calc R . .
C62 C 0.2810(6) 0.0039(8) 0.0873(4) 0.0218(10) Uani 1 1 d U . .
C63 C 0.1988(7) 0.0147(8) 0.0650(4) 0.0263(11) Uani 1 1 d U . .
H63 H 0.1730 0.0877 0.0652 0.032 Uiso 1 1 calc R . .
C64 C 0.1519(7) -0.0692(9) 0.0428(4) 0.0251(11) Uani 1 1 d U . .
C65 C 0.0612(10) -0.0432(14) 0.0207(5) 0.0359(15) Uani 1 1 d U . .
H65A H 0.0548 -0.0864 -0.0081 0.054 Uiso 1 1 calc R . .
H65B H 0.0572 0.0378 0.0138 0.054 Uiso 1 1 calc R . .
H65C H 0.0145 -0.0644 0.0423 0.054 Uiso 1 1 calc R . .
C71 C 0.2158(8) -0.3094(9) 0.2059(4) 0.039(3) Uani 1 1 d U . .
H71A H 0.2129 -0.2348 0.2206 0.058 Uiso 1 1 calc R . .
H71B H 0.2430 -0.3634 0.2273 0.058 Uiso 1 1 calc R . .
H71C H 0.1564 -0.3349 0.1981 0.058 Uiso 1 1 calc R . .
C72 C 0.2696(7) -0.3020(8) 0.1626(4) 0.022(2) Uani 1 1 d U . .
C73 C 0.3565(7) -0.3366(8) 0.1641(4) 0.027(2) Uani 1 1 d U . .
H73 H 0.3747 -0.3711 0.1922 0.033 Uiso 1 1 calc R . .
C74 C 0.4201(7) -0.3275(8) 0.1302(4) 0.027(2) Uani 1 1 d U . .
C75 C 0.5149(7) -0.3603(9) 0.1411(4) 0.037(3) Uani 1 1 d U . .
H75A H 0.5278 -0.4342 0.1274 0.056 Uiso 1 1 calc R . .
H75B H 0.5229 -0.3641 0.1748 0.056 Uiso 1 1 calc R . .
H75C H 0.5547 -0.3035 0.1281 0.056 Uiso 1 1 calc R . .
N21 N 0.2053(6) -0.4784(6) 0.0586(4) 0.0273(10) Uani 1 1 d U . .
N22 N 0.2650(5) -0.3939(6) 0.0413(3) 0.0195(18) Uani 1 1 d U . .
N23 N 0.2913(6) -0.6118(6) 0.0190(3) 0.028(2) Uani 1 1 d U . .
N24 N 0.3277(6) -0.5301(7) -0.0102(3) 0.031(2) Uani 1 1 d U . .
N31 N 0.3419(7) -0.2311(7) -0.0012(4) 0.0210(9) Uani 1 1 d U . .
O41 O 0.3298(4) -0.0856(5) 0.0871(3) 0.0276(16) Uani 1 1 d U . .
O42 O 0.1757(4) -0.1738(5) 0.0389(3) 0.0253(15) Uani 1 1 d U . .
O51 O 0.2299(10) -0.2574(5) 0.1269(5) 0.0218(7) Uani 1 1 d U . .
O52 O 0.4076(5) -0.2936(7) 0.0879(3) 0.0270(16) Uani 1 1 d U . .
Ru11 Ru 0.28940(10) -0.24272(7) 0.06433(3) 0.0174(4) Uani 1 1 d . . .
C42 C 0.2199(7) -0.5910(8) 0.0476(4) 0.030(2) Uani 1 1 d U . .
O31 O 0.1711(5) -0.6675(6) 0.0616(3) 0.048(2) Uani 1 1 d U . .
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'
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 C1 N2 127.3(9) . . ?
N4 C1 C11 118.5(9) . . ?
N2 C1 C11 114.1(9) . . ?
O1 C2 N1 122.4(10) . . ?
O1 C2 N3 119.5(9) . . ?
N1 C2 N3 118.0(9) . . ?
N1 C3 C5 112.1(10) . . ?
N1 C3 C4 112.6(9) . . ?
C5 C3 C4 111.8(10) . . ?
N1 C3 H3 106.6 . . ?
C5 C3 H3 106.6 . . ?
C4 C3 H3 106.6 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 N3 110.3(10) . . ?
C7 C6 C8 113.8(15) . . ?
N3 C6 C8 109.5(11) . . ?
C7 C6 H6 107.6 . . ?
N3 C6 H6 107.7 . . ?
C8 C6 H6 107.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N11 C11 C12 123.2(10) . . ?
N11 C11 C1 111.6(10) . . ?
C12 C11 C1 124.5(11) . . ?
C11 C12 C13 121.4(12) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C12 C13 C14 112.7(14) . . ?
C12 C13 H13 123.6 . . ?
C14 C13 H13 123.6 . . ?
C15 C14 C13 122.9(11) . . ?
C15 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
C14 C15 N11 121.8(11) . . ?
C14 C15 H15 119.1 . . ?
N11 C15 H15 119.1 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O11 C22 C23 126.1(9) . . ?
O11 C22 C21 113.3(9) . . ?
C23 C22 C21 120.6(9) . . ?
C22 C23 C24 127.3(10) . . ?
C22 C23 H23 116.3 . . ?
C24 C23 H23 116.3 . . ?
O12 C24 C23 125.7(10) . . ?
O12 C24 C25 114.8(11) . . ?
C23 C24 C25 119.5(11) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O21 C32 C33 127.9(11) . . ?
O21 C32 C31 115.1(11) . . ?
C33 C32 C31 117.0(9) . . ?
C34 C33 C32 126.1(9) . . ?
C34 C33 H33 117.0 . . ?
C32 C33 H33 117.0 . . ?
O22 C34 C33 127.1(9) . . ?
O22 C34 C35 115.1(9) . . ?
C33 C34 C35 117.8(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C2 N1 C3 121.9(8) . . ?
C2 N1 N2 118.5(9) . . ?
C3 N1 N2 113.0(7) . . ?
C1 N2 N1 115.1(8) . . ?
C1 N2 Ru1 114.8(6) . . ?
N1 N2 Ru1 129.8(6) . . ?
N4 N3 C2 120.8(8) . . ?
N4 N3 C6 113.1(9) . . ?
C2 N3 C6 120.8(9) . . ?
C1 N4 N3 113.7(8) . . ?
C11 N11 C15 117.8(11) . . ?
C11 N11 Ru1 114.6(8) . . ?
C15 N11 Ru1 127.5(7) . . ?
C22 O11 Ru1 124.5(6) . . ?
C24 O12 Ru1 125.3(7) . . ?
C32 O21 Ru1 122.3(10) . . ?
C34 O22 Ru1 122.3(6) . . ?
N2 Ru1 O22 91.4(3) . . ?
N2 Ru1 N11 80.0(4) . . ?
O22 Ru1 N11 87.8(4) . . ?
N2 Ru1 O12 93.9(3) . . ?
O22 Ru1 O12 173.9(3) . . ?
N11 Ru1 O12 89.9(4) . . ?
N2 Ru1 O21 98.1(3) . . ?
O22 Ru1 O21 93.6(5) . . ?
N11 Ru1 O21 177.7(4) . . ?
O12 Ru1 O21 88.8(5) . . ?
N2 Ru1 O11 174.7(3) . . ?
O22 Ru1 O11 84.3(3) . . ?
N11 Ru1 O11 96.7(3) . . ?
O12 Ru1 O11 90.3(2) . . ?
O21 Ru1 O11 85.3(3) . . ?
N24 C41 N22 125.1(9) . . ?
N24 C41 C51 121.8(9) . . ?
N22 C41 C51 113.1(8) . . ?
N21 C43 C44 113.6(9) . . ?
N21 C43 C45 111.7(9) . . ?
C44 C43 C45 110.7(9) . . ?
N21 C43 H43 106.8 . . ?
C44 C43 H43 106.8 . . ?
C45 C43 H43 106.8 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C48 C46 N23 112.5(12) . . ?
C48 C46 C47 112.2(17) . . ?
N23 C46 C47 107.5(11) . . ?
C48 C46 H46 108.2 . . ?
N23 C46 H46 108.2 . . ?
C47 C46 H46 108.2 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.4 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.4 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N31 C51 C52 120.5(10) . . ?
N31 C51 C41 115.6(11) . . ?
C52 C51 C41 123.5(11) . . ?
C53 C52 C51 115.1(12) . . ?
C53 C52 H52 122.4 . . ?
C51 C52 H52 122.5 . . ?
C54 C53 C52 125.9(17) . . ?
C54 C53 H53 117.0 . . ?
C52 C53 H53 117.0 . . ?
C53 C54 C55 117.2(12) . . ?
C53 C54 H54 121.4 . . ?
C55 C54 H54 121.4 . . ?
N31 C55 C54 119.8(11) . . ?
N31 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O41 C62 C63 125.5(9) . . ?
O41 C62 C61 114.3(9) . . ?
C63 C62 C61 120.1(9) . . ?
C64 C63 C62 127.2(10) . . ?
C64 C63 H63 116.4 . . ?
C62 C63 H63 116.4 . . ?
O42 C64 C63 125.7(10) . . ?
O42 C64 C65 113.8(10) . . ?
C63 C64 C65 120.5(11) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C72 C71 H71A 109.5 . . ?
C72 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C72 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O51 C72 C73 125.9(10) . . ?
O51 C72 C71 115.3(11) . . ?
C73 C72 C71 118.6(10) . . ?
C74 C73 C72 128.7(9) . . ?
C74 C73 H73 115.7 . . ?
C72 C73 H73 115.7 . . ?
O52 C74 C73 126.0(9) . . ?
O52 C74 C75 114.2(9) . . ?
C73 C74 C75 119.9(9) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C42 N21 N22 119.1(8) . . ?
C42 N21 C43 122.3(8) . . ?
N22 N21 C43 113.9(7) . . ?
C41 N22 N21 115.3(7) . . ?
C41 N22 Ru11 114.7(6) . . ?
N21 N22 Ru11 129.9(6) . . ?
C42 N23 N24 123.2(8) . . ?
C42 N23 C46 116.0(9) . . ?
N24 N23 C46 115.1(9) . . ?
C41 N24 N23 114.5(8) . . ?
C55 N31 C51 121.4(12) . . ?
C55 N31 Ru11 125.9(8) . . ?
C51 N31 Ru11 112.7(8) . . ?
C62 O41 Ru11 124.5(6) . . ?
C64 O42 Ru11 125.8(6) . . ?
C72 O51 Ru11 122.0(10) . . ?
C74 O52 Ru11 122.6(7) . . ?
N22 Ru11 O52 90.6(3) . . ?
N22 Ru11 O51 98.0(3) . . ?
O52 Ru11 O51 94.2(5) . . ?
N22 Ru11 O42 94.7(3) . . ?
O52 Ru11 O42 173.6(3) . . ?
O51 Ru11 O42 88.6(5) . . ?
N22 Ru11 N31 79.8(4) . . ?
O52 Ru11 N31 89.0(4) . . ?
O51 Ru11 N31 176.1(5) . . ?
O42 Ru11 N31 88.4(4) . . ?
N22 Ru11 O41 173.6(3) . . ?
O52 Ru11 O41 84.0(3) . . ?
O51 Ru11 O41 85.8(3) . . ?
O42 Ru11 O41 90.5(3) . . ?
N31 Ru11 O41 96.7(3) . . ?
O31 C42 N21 122.2(10) . . ?
O31 C42 N23 122.2(9) . . ?
N21 C42 N23 115.6(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
C1 N4 1.308(12) . ?
C1 N2 1.377(11) . ?
C1 C11 1.485(14) . ?
C2 O1 1.241(11) . ?
C2 N1 1.351(12) . ?
C2 N3 1.420(12) . ?
C3 N1 1.448(13) . ?
C3 C5 1.488(19) . ?
C3 C4 1.530(14) . ?
C3 H3 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.44(2) . ?
C6 N3 1.528(12) . ?
C6 C8 1.54(3) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C11 N11 1.368(13) . ?
C11 C12 1.372(17) . ?
C12 C13 1.437(19) . ?
C12 H12 0.9500 . ?
C13 C14 1.464(19) . ?
C13 H13 0.9500 . ?
C14 C15 1.353(18) . ?
C14 H14 0.9500 . ?
C15 N11 1.373(13) . ?
C15 H15 0.9500 . ?
C21 C22 1.524(13) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 O11 1.279(11) . ?
C22 C23 1.386(14) . ?
C23 C24 1.390(15) . ?
C23 H23 0.9500 . ?
C24 O12 1.297(11) . ?
C24 C25 1.477(18) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C31 C32 1.539(13) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 O21 1.233(16) . ?
C32 C33 1.414(13) . ?
C33 C34 1.407(13) . ?
C33 H33 0.9500 . ?
C34 O22 1.293(11) . ?
C34 C35 1.499(13) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
N1 N2 1.448(11) . ?
N2 Ru1 1.941(8) . ?
N3 N4 1.387(11) . ?
N11 Ru1 2.043(12) . ?
O11 Ru1 2.078(6) . ?
O12 Ru1 2.049(7) . ?
O21 Ru1 2.072(15) . ?
O22 Ru1 2.018(7) . ?
C41 N24 1.303(11) . ?
C41 N22 1.391(12) . ?
C41 C51 1.441(14) . ?
C43 N21 1.476(13) . ?
C43 C44 1.522(14) . ?
C43 C45 1.567(19) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C48 1.52(3) . ?
C46 N23 1.516(12) . ?
C46 C47 1.56(3) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C51 N31 1.334(13) . ?
C51 C52 1.429(17) . ?
C52 C53 1.341(18) . ?
C52 H52 0.9500 . ?
C53 C54 1.307(18) . ?
C53 H53 0.9500 . ?
C54 C55 1.421(18) . ?
C54 H54 0.9500 . ?
C55 N31 1.322(13) . ?
C55 H55 0.9500 . ?
C61 C62 1.491(13) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 O41 1.294(11) . ?
C62 C63 1.414(14) . ?
C63 C64 1.380(15) . ?
C63 H63 0.9500 . ?
C64 O42 1.294(11) . ?
C64 C65 1.552(18) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C71 C72 1.497(13) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 O51 1.307(16) . ?
C72 C73 1.385(13) . ?
C73 C74 1.380(13) . ?
C73 H73 0.9500 . ?
C74 O52 1.301(11) . ?
C74 C75 1.527(13) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
N21 C42 1.387(12) . ?
N21 N22 1.441(11) . ?
N22 Ru11 1.944(8) . ?
N23 C42 1.388(12) . ?
N23 N24 1.397(11) . ?
N31 Ru11 2.057(12) . ?
O41 Ru11 2.066(6) . ?
O42 Ru11 2.051(7) . ?
O51 Ru11 2.028(15) . ?
O52 Ru11 2.016(7) . ?
C42 O31 1.238(11) . ?
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
N4 C1 C11 N11 172.5(9) . . . . ?
N2 C1 C11 N11 -10.9(13) . . . . ?
N4 C1 C11 C12 -16.1(16) . . . . ?
N2 C1 C11 C12 160.5(11) . . . . ?
N11 C11 C12 C13 3(2) . . . . ?
C1 C11 C12 C13 -167.3(13) . . . . ?
C11 C12 C13 C14 -4(2) . . . . ?
C12 C13 C14 C15 2(2) . . . . ?
C13 C14 C15 N11 0(2) . . . . ?
O11 C22 C23 C24 -9.6(19) . . . . ?
C21 C22 C23 C24 173.3(10) . . . . ?
C22 C23 C24 O12 3.9(19) . . . . ?
C22 C23 C24 C25 -177.8(11) . . . . ?
O21 C32 C33 C34 -4.5(18) . . . . ?
C31 C32 C33 C34 176.7(9) . . . . ?
C32 C33 C34 O22 6.9(17) . . . . ?
C32 C33 C34 C35 -172.1(9) . . . . ?
O1 C2 N1 C3 30.6(16) . . . . ?
N3 C2 N1 C3 -151.7(9) . . . . ?
O1 C2 N1 N2 -179.9(9) . . . . ?
N3 C2 N1 N2 -2.2(14) . . . . ?
C5 C3 N1 C2 55.8(15) . . . . ?
C4 C3 N1 C2 -71.2(13) . . . . ?
C5 C3 N1 N2 -95.2(12) . . . . ?
C4 C3 N1 N2 137.8(9) . . . . ?
N4 C1 N2 N1 13.5(14) . . . . ?
C11 C1 N2 N1 -162.7(9) . . . . ?
N4 C1 N2 Ru1 -160.6(8) . . . . ?
C11 C1 N2 Ru1 23.2(11) . . . . ?
C2 N1 N2 C1 -15.3(14) . . . . ?
C3 N1 N2 C1 136.7(9) . . . . ?
C2 N1 N2 Ru1 157.7(7) . . . . ?
C3 N1 N2 Ru1 -50.3(12) . . . . ?
O1 C2 N3 N4 -157.9(10) . . . . ?
N1 C2 N3 N4 24.3(14) . . . . ?
O1 C2 N3 C6 -5.6(15) . . . . ?
N1 C2 N3 C6 176.6(11) . . . . ?
C7 C6 N3 N4 -59.6(15) . . . . ?
C8 C6 N3 N4 66.4(16) . . . . ?
C7 C6 N3 C2 146.2(12) . . . . ?
C8 C6 N3 C2 -87.8(16) . . . . ?
N2 C1 N4 N3 6.9(14) . . . . ?
C11 C1 N4 N3 -177.0(8) . . . . ?
C2 N3 N4 C1 -26.2(13) . . . . ?
C6 N3 N4 C1 179.5(10) . . . . ?
C12 C11 N11 C15 -0.1(18) . . . . ?
C1 C11 N11 C15 171.4(9) . . . . ?
C12 C11 N11 Ru1 -177.0(10) . . . . ?
C1 C11 N11 Ru1 -5.5(11) . . . . ?
C14 C15 N11 C11 -1.7(18) . . . . ?
C14 C15 N11 Ru1 174.8(10) . . . . ?
C23 C22 O11 Ru1 11.6(14) . . . . ?
C21 C22 O11 Ru1 -171.2(6) . . . . ?
C23 C24 O12 Ru1 -1.5(14) . . . . ?
C25 C24 O12 Ru1 -179.8(8) . . . . ?
C33 C32 O21 Ru1 -3.5(16) . . . . ?
C31 C32 O21 Ru1 175.4(7) . . . . ?
C33 C34 O22 Ru1 -0.5(14) . . . . ?
C35 C34 O22 Ru1 178.5(6) . . . . ?
C1 N2 Ru1 O22 67.4(7) . . . . ?
N1 N2 Ru1 O22 -105.6(8) . . . . ?
C1 N2 Ru1 N11 -20.2(7) . . . . ?
N1 N2 Ru1 N11 166.8(9) . . . . ?
C1 N2 Ru1 O12 -109.4(7) . . . . ?
N1 N2 Ru1 O12 77.6(9) . . . . ?
C1 N2 Ru1 O21 161.2(7) . . . . ?
N1 N2 Ru1 O21 -11.8(10) . . . . ?
C1 N2 Ru1 O11 32(5) . . . . ?
N1 N2 Ru1 O11 -141(4) . . . . ?
C34 O22 Ru1 N2 93.3(8) . . . . ?
C34 O22 Ru1 N11 173.3(8) . . . . ?
C34 O22 Ru1 O12 -118(4) . . . . ?
C34 O22 Ru1 O21 -4.9(8) . . . . ?
C34 O22 Ru1 O11 -89.8(8) . . . . ?
C11 N11 Ru1 N2 14.0(8) . . . . ?
C15 N11 Ru1 N2 -162.6(10) . . . . ?
C11 N11 Ru1 O22 -77.8(8) . . . . ?
C15 N11 Ru1 O22 105.6(10) . . . . ?
C11 N11 Ru1 O12 107.9(8) . . . . ?
C15 N11 Ru1 O12 -68.7(10) . . . . ?
C11 N11 Ru1 O21 51(9) . . . . ?
C15 N11 Ru1 O21 -125(9) . . . . ?
C11 N11 Ru1 O11 -161.8(7) . . . . ?
C15 N11 Ru1 O11 21.6(10) . . . . ?
C24 O12 Ru1 N2 179.2(8) . . . . ?
C24 O12 Ru1 O22 31(4) . . . . ?
C24 O12 Ru1 N11 99.2(8) . . . . ?
C24 O12 Ru1 O21 -82.7(8) . . . . ?
C24 O12 Ru1 O11 2.5(8) . . . . ?
C32 O21 Ru1 N2 -85.1(9) . . . . ?
C32 O21 Ru1 O22 6.8(9) . . . . ?
C32 O21 Ru1 N11 -122(9) . . . . ?
C32 O21 Ru1 O12 -178.8(9) . . . . ?
C32 O21 Ru1 O11 90.9(9) . . . . ?
C22 O11 Ru1 N2 -149(4) . . . . ?
C22 O11 Ru1 O22 175.6(7) . . . . ?
C22 O11 Ru1 N11 -97.2(8) . . . . ?
C22 O11 Ru1 O12 -7.3(8) . . . . ?
C22 O11 Ru1 O21 81.5(8) . . . . ?
N24 C41 C51 N31 -173.6(9) . . . . ?
N22 C41 C51 N31 6.1(13) . . . . ?
N24 C41 C51 C52 13.9(16) . . . . ?
N22 C41 C51 C52 -166.4(10) . . . . ?
N31 C51 C52 C53 0.4(18) . . . . ?
C41 C51 C52 C53 172.5(13) . . . . ?
C51 C52 C53 C54 -2(3) . . . . ?
C52 C53 C54 C55 3(3) . . . . ?
C53 C54 C55 N31 -1(2) . . . . ?
O41 C62 C63 C64 6.4(19) . . . . ?
C61 C62 C63 C64 -176.4(10) . . . . ?
C62 C63 C64 O42 0.3(19) . . . . ?
C62 C63 C64 C65 178.9(11) . . . . ?
O51 C72 C73 C74 3.2(17) . . . . ?
C71 C72 C73 C74 -173.2(10) . . . . ?
C72 C73 C74 O52 -7.2(18) . . . . ?
C72 C73 C74 C75 173.6(10) . . . . ?
C44 C43 N21 C42 67.7(13) . . . . ?
C45 C43 N21 C42 -58.5(14) . . . . ?
C44 C43 N21 N22 -136.8(9) . . . . ?
C45 C43 N21 N22 97.0(11) . . . . ?
N24 C41 N22 N21 -17.8(13) . . . . ?
C51 C41 N22 N21 162.5(8) . . . . ?
N24 C41 N22 Ru11 160.3(8) . . . . ?
C51 C41 N22 Ru11 -19.3(10) . . . . ?
C42 N21 N22 C41 20.5(13) . . . . ?
C43 N21 N22 C41 -135.9(8) . . . . ?
C42 N21 N22 Ru11 -157.3(7) . . . . ?
C43 N21 N22 Ru11 46.3(12) . . . . ?
C48 C46 N23 C42 88.4(17) . . . . ?
C47 C46 N23 C42 -147.6(13) . . . . ?
C48 C46 N23 N24 -65.8(18) . . . . ?
C47 C46 N23 N24 58.2(16) . . . . ?
N22 C41 N24 N23 -4.0(14) . . . . ?
C51 C41 N24 N23 175.6(9) . . . . ?
C42 N23 N24 C41 25.5(14) . . . . ?
C46 N23 N24 C41 177.6(10) . . . . ?
C54 C55 N31 C51 -0.7(19) . . . . ?
C54 C55 N31 Ru11 178.6(9) . . . . ?
C52 C51 N31 C55 1.1(18) . . . . ?
C41 C51 N31 C55 -171.6(10) . . . . ?
C52 C51 N31 Ru11 -178.3(9) . . . . ?
C41 C51 N31 Ru11 9.0(12) . . . . ?
C63 C62 O41 Ru11 -11.7(14) . . . . ?
C61 C62 O41 Ru11 171.0(6) . . . . ?
C63 C64 O42 Ru11 -0.1(15) . . . . ?
C65 C64 O42 Ru11 -178.9(7) . . . . ?
C73 C72 O51 Ru11 4.9(13) . . . . ?
C71 C72 O51 Ru11 -178.5(7) . . . . ?
C73 C74 O52 Ru11 1.8(14) . . . . ?
C75 C74 O52 Ru11 -178.9(6) . . . . ?
C41 N22 Ru11 O52 -70.2(7) . . . . ?
N21 N22 Ru11 O52 107.7(8) . . . . ?
C41 N22 Ru11 O51 -164.6(7) . . . . ?
N21 N22 Ru11 O51 13.3(9) . . . . ?
C41 N22 Ru11 O42 106.2(6) . . . . ?
N21 N22 Ru11 O42 -75.9(8) . . . . ?
C41 N22 Ru11 N31 18.7(7) . . . . ?
N21 N22 Ru11 N31 -163.5(9) . . . . ?
C41 N22 Ru11 O41 -38(4) . . . . ?
N21 N22 Ru11 O41 140(4) . . . . ?
C74 O52 Ru11 N22 -94.0(8) . . . . ?
C74 O52 Ru11 O51 4.1(8) . . . . ?
C74 O52 Ru11 O42 120(4) . . . . ?
C74 O52 Ru11 N31 -173.8(8) . . . . ?
C74 O52 Ru11 O41 89.4(8) . . . . ?
C72 O51 Ru11 N22 84.1(8) . . . . ?
C72 O51 Ru11 O52 -7.2(8) . . . . ?
C72 O51 Ru11 O42 178.6(7) . . . . ?
C72 O51 Ru11 N31 139(5) . . . . ?
C72 O51 Ru11 O41 -90.9(8) . . . . ?
C64 O42 Ru11 N22 -179.6(8) . . . . ?
C64 O42 Ru11 O52 -34(4) . . . . ?
C64 O42 Ru11 O51 82.4(8) . . . . ?
C64 O42 Ru11 N31 -100.0(8) . . . . ?
C64 O42 Ru11 O41 -3.4(8) . . . . ?
C55 N31 Ru11 N22 165.5(11) . . . . ?
C51 N31 Ru11 N22 -15.1(7) . . . . ?
C55 N31 Ru11 O52 -103.6(10) . . . . ?
C51 N31 Ru11 O52 75.7(8) . . . . ?
C55 N31 Ru11 O51 110(4) . . . . ?
C51 N31 Ru11 O51 -71(5) . . . . ?
C55 N31 Ru11 O42 70.5(10) . . . . ?
C51 N31 Ru11 O42 -110.2(8) . . . . ?
C55 N31 Ru11 O41 -19.8(10) . . . . ?
C51 N31 Ru11 O41 159.5(7) . . . . ?
C62 O41 Ru11 N22 153(4) . . . . ?
C62 O41 Ru11 O52 -174.3(7) . . . . ?
C62 O41 Ru11 O51 -79.5(8) . . . . ?
C62 O41 Ru11 O42 9.0(8) . . . . ?
C62 O41 Ru11 N31 97.5(8) . . . . ?
N22 N21 C42 O31 179.7(10) . . . . ?
C43 N21 C42 O31 -26.0(16) . . . . ?
N22 N21 C42 N23 -2.0(13) . . . . ?
C43 N21 C42 N23 152.3(10) . . . . ?
N24 N23 C42 O31 156.2(10) . . . . ?
C46 N23 C42 O31 4.3(16) . . . . ?
N24 N23 C42 N21 -22.1(14) . . . . ?
C46 N23 C42 N21 -174.0(10) . . . . ?
