#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:18:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/27/7032735.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_7032735
loop_
_publ_author_name
'Ru, Jing'
'Gao, Feng'
'Yao, Min-Xia'
'Wu, Tao'
'Zuo, Jing-Lin'
_publ_section_title
;
 Crystal structures and magnetic properties of chiral heterobimetallic
 chains based on the dicyanoruthenate building block.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18047
_journal_page_last               18055
_journal_paper_doi               10.1039/c4dt02518k
_journal_volume                  43
_journal_year                    2014
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C92 H72 Mn2 N12 O8 Ru2'
_chemical_formula_sum            'C92 H72 Mn2 N12 O8 Ru2'
_chemical_formula_weight         1785.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_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
_cell_angle_alpha                100.140(2)
_cell_angle_beta                 104.427(3)
_cell_angle_gamma                107.371(2)
_cell_formula_units_Z            2
_cell_length_a                   13.2812(13)
_cell_length_b                   20.8357(15)
_cell_length_c                   20.9023(15)
_cell_measurement_reflns_used    4031
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      21.621
_cell_measurement_theta_min      2.194
_cell_volume                     5146.3(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            36290
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  0.8830
_exptl_absorpt_correction_T_min  0.8545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1820
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.030(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2089
_refine_ls_number_reflns         27368
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+1.5500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1416
_reflns_number_gt                21224
_reflns_number_total             27368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02518k2.cif
_cod_data_source_block           rr
_cod_depositor_comments
'Adding full bibliography for 7032733--7032736.cif.'
_cod_original_sg_symbol_H-M      p1
_cod_database_code               7032735
loop_
_symmetry_equiv_pos_as_xyz
'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
C1 C 0.9469(6) 0.6060(4) 0.8570(4) 0.0485(17) Uani 1 1 d .
C2 C 1.0353(6) 0.6635(4) 0.8649(4) 0.0482(17) Uani 1 1 d .
H2 H 1.0315 0.7078 0.8754 0.058 Uiso 1 1 calc R
C3 C 1.1332(6) 0.6547(4) 0.8568(4) 0.0557(19) Uani 1 1 d .
H3 H 1.1961 0.6939 0.8651 0.067 Uiso 1 1 calc R
C4 C 1.1369(7) 0.5904(4) 0.8373(4) 0.0567(19) Uani 1 1 d .
H4 H 1.2013 0.5860 0.8303 0.068 Uiso 1 1 calc R
C5 C 1.0479(6) 0.5315(4) 0.8277(4) 0.0544(19) Uani 1 1 d .
H5 H 1.0512 0.4874 0.8142 0.065 Uiso 1 1 calc R
C6 C 0.9501(5) 0.5391(4) 0.8387(4) 0.0444(16) Uani 1 1 d .
C7 C 0.8650(6) 0.4789(4) 0.8352(4) 0.0458(17) Uani 1 1 d .
H7 H 0.8761 0.4372 0.8223 0.055 Uiso 1 1 calc R
C8 C 0.6794(6) 0.4122(4) 0.8496(4) 0.056(2) Uani 1 1 d .
H8 H 0.6812 0.4153 0.8972 0.068 Uiso 1 1 calc R
C9 C 0.5738(6) 0.4219(3) 0.8097(4) 0.0491(17) Uani 1 1 d .
H9 H 0.5744 0.4300 0.7650 0.059 Uiso 1 1 calc R
C10 C 0.4989(6) 0.5014(4) 0.8762(4) 0.0474(17) Uani 1 1 d .
H10 H 0.4298 0.4653 0.8595 0.057 Uiso 1 1 calc R
C11 C 0.4968(6) 0.5668(4) 0.9149(4) 0.0485(17) Uani 1 1 d .
C12 C 0.3977(6) 0.5661(4) 0.9314(4) 0.0480(17) Uani 1 1 d .
H12 H 0.3362 0.5247 0.9167 0.058 Uiso 1 1 calc R
C13 C 0.3925(6) 0.6288(4) 0.9706(4) 0.0546(19) Uani 1 1 d .
H13 H 0.3277 0.6291 0.9800 0.066 Uiso 1 1 calc R
C14 C 0.4903(6) 0.6901(4) 0.9944(4) 0.060(2) Uani 1 1 d .
H14 H 0.4908 0.7315 1.0201 0.072 Uiso 1 1 calc R
C15 C 0.5806(6) 0.6874(4) 0.9795(4) 0.057(2) Uani 1 1 d .
H15 H 0.6436 0.7280 0.9957 0.068 Uiso 1 1 calc R
C16 C 0.5875(6) 0.6287(3) 0.9417(4) 0.0446(16) Uani 1 1 d .
C17 C 0.6896(6) 0.3436(4) 0.8191(4) 0.0516(18) Uani 1 1 d .
C18 C 0.7349(6) 0.3055(4) 0.8584(4) 0.0520(18) Uani 1 1 d .
H18 H 0.7588 0.3222 0.9060 0.062 Uiso 1 1 calc R
C19 C 0.7463(7) 0.2435(4) 0.8297(5) 0.065(2) Uani 1 1 d .
H19 H 0.7766 0.2193 0.8577 0.078 Uiso 1 1 calc R
C20 C 0.7112(6) 0.2176(4) 0.7574(5) 0.063(2) Uani 1 1 d .
H20 H 0.7170 0.1759 0.7372 0.075 Uiso 1 1 calc R
C21 C 0.6678(7) 0.2559(4) 0.7173(4) 0.060(2) Uani 1 1 d .
H21 H 0.6446 0.2400 0.6697 0.072 Uiso 1 1 calc R
C22 C 0.6589(6) 0.3192(4) 0.7492(4) 0.059(2) Uani 1 1 d .
H22 H 0.6315 0.3449 0.7218 0.071 Uiso 1 1 calc R
C23 C 0.4693(7) 0.3639(4) 0.8066(4) 0.056(2) Uani 1 1 d .
C24 C 0.3823(6) 0.3389(4) 0.7444(4) 0.0562(19) Uani 1 1 d .
H24 H 0.3904 0.3564 0.7073 0.067 Uiso 1 1 calc R
C25 C 0.2828(8) 0.2871(4) 0.7389(5) 0.069(2) Uani 1 1 d .
H25 H 0.2243 0.2681 0.6977 0.083 Uiso 1 1 calc R
C26 C 0.2738(8) 0.2647(4) 0.7973(5) 0.069(2) Uani 1 1 d .
H26 H 0.2077 0.2305 0.7942 0.082 Uiso 1 1 calc R
C27 C 0.3558(7) 0.2903(4) 0.8567(5) 0.066(2) Uani 1 1 d .
H27 H 0.3463 0.2738 0.8942 0.079 Uiso 1 1 calc R
C28 C 0.4546(6) 0.3411(4) 0.8633(4) 0.0563(19) Uani 1 1 d .
H28 H 0.5112 0.3599 0.9054 0.068 Uiso 1 1 calc R
C29 C 0.5863(6) 0.4285(3) 0.5812(4) 0.0504(17) Uani 1 1 d .
C30 C 0.4960(7) 0.3678(4) 0.5533(4) 0.061(2) Uani 1 1 d .
H30 H 0.4255 0.3695 0.5359 0.073 Uiso 1 1 calc R
C31 C 0.5078(6) 0.3039(4) 0.5505(4) 0.0557(19) Uani 1 1 d .
H31 H 0.4456 0.2629 0.5359 0.067 Uiso 1 1 calc R
C32 C 0.6143(7) 0.3022(4) 0.5698(4) 0.0574(19) Uani 1 1 d .
H32 H 0.6237 0.2594 0.5670 0.069 Uiso 1 1 calc R
C33 C 0.7049(7) 0.3616(3) 0.5927(4) 0.0529(18) Uani 1 1 d .
H33 H 0.7760 0.3596 0.6044 0.063 Uiso 1 1 calc R
C34 C 0.6913(6) 0.4279(3) 0.5988(4) 0.0481(17) Uani 1 1 d .
C35 C 0.7933(6) 0.4865(3) 0.6290(4) 0.0466(16) Uani 1 1 d .
H35 H 0.8574 0.4757 0.6406 0.056 Uiso 1 1 calc R
C36 C 0.9063(5) 0.6139(3) 0.6649(4) 0.0425(15) Uani 1 1 d .
H36A H 0.9195 0.6279 0.6249 0.051 Uiso 1 1 calc R
H36B H 0.9698 0.6032 0.6879 0.051 Uiso 1 1 calc R
C37 C 0.9000(5) 0.6723(4) 0.7108(3) 0.0412(14) Uani 1 1 d .
H37A H 0.9624 0.7149 0.7190 0.049 Uiso 1 1 calc R
H37B H 0.8974 0.6629 0.7543 0.049 Uiso 1 1 calc R
C38 C 0.7842(5) 0.7390(3) 0.6729(3) 0.0342(13) Uani 1 1 d .
H38 H 0.8476 0.7789 0.6947 0.041 Uiso 1 1 calc R
C39 C 0.6775(5) 0.7456(3) 0.6415(3) 0.0369(13) Uani 1 1 d .
C40 C 0.6887(6) 0.8147(3) 0.6468(3) 0.0434(15) Uani 1 1 d .
H40 H 0.7600 0.8483 0.6608 0.052 Uiso 1 1 calc R
C41 C 0.5981(6) 0.8358(4) 0.6321(4) 0.0555(19) Uani 1 1 d .
H41 H 0.6079 0.8825 0.6351 0.067 Uiso 1 1 calc R
C42 C 0.4948(6) 0.7868(4) 0.6131(5) 0.062(2) Uani 1 1 d .
H42 H 0.4325 0.7997 0.6037 0.074 Uiso 1 1 calc R
C43 C 0.4818(6) 0.7165(3) 0.6077(4) 0.0469(16) Uani 1 1 d .
H43 H 0.4103 0.6833 0.5939 0.056 Uiso 1 1 calc R
C44 C 0.5720(5) 0.6950(3) 0.6223(3) 0.0404(14) Uani 1 1 d .
C45 C 0.9761(6) 0.5632(3) 0.5051(4) 0.0485(17) Uani 1 1 d .
C46 C 1.0836(5) 0.5999(4) 0.5508(4) 0.0495(17) Uani 1 1 d .
H46 H 1.1194 0.6467 0.5539 0.059 Uiso 1 1 calc R
C47 C 1.1358(6) 0.5666(4) 0.5909(4) 0.0534(18) Uani 1 1 d .
H47 H 1.2071 0.5912 0.6218 0.064 Uiso 1 1 calc R
C48 C 1.0859(5) 0.4988(4) 0.5864(4) 0.0546(18) Uani 1 1 d .
H48 H 1.1244 0.4771 0.6131 0.065 Uiso 1 1 calc R
C49 C 0.9766(6) 0.4598(4) 0.5421(4) 0.0516(17) Uani 1 1 d .
H49 H 0.9403 0.4140 0.5420 0.062 Uiso 1 1 calc R
C50 C 0.9244(6) 0.4924(3) 0.4982(4) 0.0504(17) Uani 1 1 d .
C51 C 0.8102(6) 0.4495(3) 0.4537(4) 0.0504(17) Uani 1 1 d .
H51 H 0.7814 0.4042 0.4571 0.060 Uiso 1 1 calc R
C52 C 0.6310(6) 0.4245(4) 0.3716(4) 0.057(2) Uani 1 1 d .
H52 H 0.5862 0.4319 0.4011 0.069 Uiso 1 1 calc R
C53 C 0.5852(5) 0.4450(3) 0.3056(4) 0.0463(16) Uani 1 1 d .
H53 H 0.6212 0.4324 0.2723 0.056 Uiso 1 1 calc R
C54 C 0.5780(5) 0.5618(3) 0.2985(3) 0.0399(14) Uani 1 1 d .
H54 H 0.5068 0.5374 0.2674 0.048 Uiso 1 1 calc R
C55 C 0.6155(5) 0.6373(3) 0.3027(3) 0.0462(16) Uani 1 1 d .
C56 C 0.5439(6) 0.6654(4) 0.2646(4) 0.0502(17) Uani 1 1 d .
H56 H 0.4721 0.6362 0.2375 0.060 Uiso 1 1 calc R
C57 C 0.5785(6) 0.7355(4) 0.2668(4) 0.0538(18) Uani 1 1 d .
H57 H 0.5296 0.7531 0.2420 0.065 Uiso 1 1 calc R
C58 C 0.6865(5) 0.7798(3) 0.3062(3) 0.0454(15) Uani 1 1 d .
H58 H 0.7100 0.8271 0.3081 0.054 Uiso 1 1 calc R
C59 C 0.7576(5) 0.7531(3) 0.3422(3) 0.0405(14) Uani 1 1 d .
H59 H 0.8306 0.7824 0.3671 0.049 Uiso 1 1 calc R
C60 C 0.7217(5) 0.6804(3) 0.3422(3) 0.0403(14) Uani 1 1 d .
C61 C 0.6033(6) 0.3442(4) 0.3483(4) 0.0483(17) Uani 1 1 d .
C62 C 0.5508(5) 0.3030(3) 0.3823(4) 0.0458(16) Uani 1 1 d .
H62 H 0.5298 0.3221 0.4182 0.055 Uiso 1 1 calc R
C63 C 0.5285(6) 0.2306(4) 0.3622(5) 0.0574(19) Uani 1 1 d .
H63 H 0.4971 0.2021 0.3871 0.069 Uiso 1 1 calc R
C64 C 0.5529(6) 0.2017(4) 0.3058(5) 0.065(2) Uani 1 1 d .
H64 H 0.5343 0.1535 0.2921 0.078 Uiso 1 1 calc R
C65 C 0.6039(6) 0.2424(4) 0.2697(4) 0.0547(18) Uani 1 1 d .
H65 H 0.6222 0.2218 0.2332 0.066 Uiso 1 1 calc R
C66 C 0.6286(7) 0.3147(4) 0.2876(4) 0.063(2) Uani 1 1 d .
H66 H 0.6595 0.3427 0.2622 0.075 Uiso 1 1 calc R
C67 C 0.4543(6) 0.4115(3) 0.2703(4) 0.0443(15) Uani 1 1 d .
C68 C 0.3790(6) 0.4102(4) 0.3068(4) 0.0503(17) Uani 1 1 d .
H68 H 0.4045 0.4298 0.3540 0.060 Uiso 1 1 calc R
C69 C 0.2657(6) 0.3794(3) 0.2714(5) 0.055(2) Uani 1 1 d .
H69 H 0.2144 0.3767 0.2951 0.066 Uiso 1 1 calc R
C70 C 0.2315(6) 0.3543(3) 0.2047(5) 0.062(2) Uani 1 1 d .
H70 H 0.1555 0.3398 0.1818 0.075 Uiso 1 1 calc R
C71 C 0.3010(6) 0.3478(4) 0.1653(4) 0.064(2) Uani 1 1 d .
H71 H 0.2744 0.3238 0.1190 0.076 Uiso 1 1 calc R
C72 C 0.4113(6) 0.3800(3) 0.2015(3) 0.0490(16) Uani 1 1 d .
H72 H 0.4615 0.3807 0.1774 0.059 Uiso 1 1 calc R
C73 C 1.0547(5) 0.5523(3) 0.1962(3) 0.0450(15) Uani 1 1 d .
C74 C 1.1285(6) 0.5133(4) 0.2140(4) 0.0498(17) Uani 1 1 d .
H74 H 1.1029 0.4653 0.1951 0.060 Uiso 1 1 calc R
C75 C 1.2383(6) 0.5486(4) 0.2596(4) 0.0552(18) Uani 1 1 d .
H75 H 1.2855 0.5245 0.2722 0.066 Uiso 1 1 calc R
C76 C 1.2727(6) 0.6202(4) 0.2848(4) 0.0559(18) Uani 1 1 d .
H76 H 1.3450 0.6446 0.3145 0.067 Uiso 1 1 calc R
C77 C 1.2056(5) 0.6562(4) 0.2682(3) 0.0449(15) Uani 1 1 d .
H77 H 1.2348 0.7045 0.2853 0.054 Uiso 1 1 calc R
C78 C 1.0926(6) 0.6240(4) 0.2258(4) 0.0489(17) Uani 1 1 d .
C79 C 1.0225(6) 0.6615(4) 0.2064(4) 0.0514(17) Uani 1 1 d .
H79 H 1.0578 0.7098 0.2179 0.062 Uiso 1 1 calc R
C80 C 0.8471(5) 0.6824(3) 0.1569(4) 0.0461(16) Uani 1 1 d .
H80A H 0.8875 0.7299 0.1855 0.055 Uiso 1 1 calc R
H80B H 0.8385 0.6834 0.1096 0.055 Uiso 1 1 calc R
C81 C 0.7367(5) 0.6590(3) 0.1642(4) 0.0475(16) Uani 1 1 d .
H81A H 0.6877 0.6781 0.1378 0.057 Uiso 1 1 calc R
H81B H 0.7403 0.6714 0.2119 0.057 Uiso 1 1 calc R
C82 C 0.5905(6) 0.5483(3) 0.1055(4) 0.0492(16) Uani 1 1 d .
H82 H 0.5411 0.5721 0.1014 0.059 Uiso 1 1 calc R
C83 C 0.5513(6) 0.4708(4) 0.0785(4) 0.0492(17) Uani 1 1 d .
C84 C 0.4345(6) 0.4441(4) 0.0388(5) 0.059(2) Uani 1 1 d .
H84 H 0.3979 0.4735 0.0250 0.071 Uiso 1 1 calc R
C85 C 0.3812(6) 0.3743(4) 0.0227(4) 0.059(2) Uani 1 1 d .
H85 H 0.3054 0.3561 -0.0017 0.071 Uiso 1 1 calc R
C86 C 0.4339(6) 0.3276(4) 0.0407(5) 0.070(3) Uani 1 1 d .
H86 H 0.3938 0.2801 0.0312 0.084 Uiso 1 1 calc R
C87 C 0.5430(6) 0.3542(4) 0.0718(4) 0.0525(18) Uani 1 1 d .
H87 H 0.5806 0.3237 0.0798 0.063 Uiso 1 1 calc R
C88 C 0.6017(5) 0.4233(3) 0.0923(4) 0.0449(16) Uani 1 1 d .
C89 C 0.7946(6) 0.5300(3) 1.0445(4) 0.0516(18) Uani 1 1 d .
C90 C 0.6669(5) 0.5701(3) 0.7211(3) 0.0420(15) Uani 1 1 d .
C91 C 0.6840(5) 0.5910(3) 0.5294(3) 0.0409(15) Uani 1 1 d .
C92 C 0.8310(5) 0.5408(4) 0.2464(4) 0.0459(16) Uani 1 1 d .
C93 C -0.1489(6) 0.8265(4) 0.8396(4) 0.0539(19) Uani 1 1 d .
C94 C -0.2394(6) 0.7687(3) 0.8307(4) 0.0463(16) Uani 1 1 d .
H94 H -0.2440 0.7249 0.8076 0.056 Uiso 1 1 calc R
C95 C -0.3263(6) 0.7751(4) 0.8566(4) 0.0471(16) Uani 1 1 d .
H95 H -0.3863 0.7354 0.8517 0.056 Uiso 1 1 calc R
C96 C -0.3216(6) 0.8413(4) 0.8896(4) 0.0545(19) Uani 1 1 d .
H96 H -0.3784 0.8460 0.9064 0.065 Uiso 1 1 calc R
C97 C -0.2298(6) 0.8998(4) 0.8967(4) 0.0549(19) Uani 1 1 d .
H97 H -0.2255 0.9438 0.9188 0.066 Uiso 1 1 calc R
C98 C -0.1444(6) 0.8934(4) 0.8712(4) 0.0515(18) Uani 1 1 d .
C99 C -0.0480(6) 0.9570(4) 0.8893(3) 0.0469(17) Uani 1 1 d .
H99 H -0.0526 0.9959 0.9162 0.056 Uiso 1 1 calc R
C100 C 0.1437(6) 1.0272(4) 0.9055(4) 0.057(2) Uani 1 1 d .
H100 H 0.1779 1.0288 0.9533 0.069 Uiso 1 1 calc R
C101 C 0.2257(6) 1.0284(3) 0.8643(4) 0.0508(17) Uani 1 1 d .
H101 H 0.2004 1.0440 0.8237 0.061 Uiso 1 1 calc R
C102 C 0.3131(6) 0.9454(4) 0.8278(4) 0.0489(18) Uani 1 1 d .
H102 H 0.3783 0.9837 0.8387 0.059 Uiso 1 1 calc R
C103 C 0.3128(6) 0.8772(3) 0.7969(4) 0.0430(16) Uani 1 1 d .
C104 C 0.4134(6) 0.8749(4) 0.7891(3) 0.0499(18) Uani 1 1 d .
H104 H 0.4780 0.9143 0.8087 0.060 Uiso 1 1 calc R
C105 C 0.4171(6) 0.8120(4) 0.7511(4) 0.0554(19) Uani 1 1 d .
H105 H 0.4827 0.8121 0.7426 0.066 Uiso 1 1 calc R
C106 C 0.3279(6) 0.7533(4) 0.7276(4) 0.0569(19) Uani 1 1 d .
H106 H 0.3316 0.7120 0.7045 0.068 Uiso 1 1 calc R
C107 C 0.2272(6) 0.7547(4) 0.7384(4) 0.0483(17) Uani 1 1 d .
H107 H 0.1650 0.7138 0.7230 0.058 Uiso 1 1 calc R
C108 C 0.2202(5) 0.8149(3) 0.7708(3) 0.0387(15) Uani 1 1 d .
C109 C 0.1164(7) 1.0943(4) 0.9001(4) 0.0532(19) Uani 1 1 d .
C110 C 0.1501(6) 1.1503(4) 0.9533(4) 0.0524(19) Uani 1 1 d .
H110 H 0.1938 1.1503 0.9956 0.063 Uiso 1 1 calc R
C111 C 0.1213(8) 1.2104(4) 0.9473(5) 0.065(2) Uani 1 1 d .
H111 H 0.1445 1.2493 0.9845 0.078 Uiso 1 1 calc R
C112 C 0.0571(7) 1.2069(4) 0.8831(5) 0.065(2) Uani 1 1 d .
H112 H 0.0364 1.2451 0.8784 0.078 Uiso 1 1 calc R
C113 C 0.0208(7) 1.1520(4) 0.8252(5) 0.061(2) Uani 1 1 d .
H113 H -0.0200 1.1533 0.7826 0.073 Uiso 1 1 calc R
C114 C 0.0509(7) 1.0910(4) 0.8355(4) 0.062(2) Uani 1 1 d .
H114 H 0.0264 1.0510 0.7994 0.074 Uiso 1 1 calc R
C115 C 0.3442(7) 1.0797(4) 0.9079(4) 0.055(2) Uani 1 1 d .
C116 C 0.3897(7) 1.0669(4) 0.9666(5) 0.071(3) Uani 1 1 d .
H116 H 0.3472 1.0339 0.9833 0.085 Uiso 1 1 calc R
C117 C 0.4955(7) 1.1019(4) 0.9998(4) 0.074(3) Uani 1 1 d .
H117 H 0.5362 1.0866 1.0328 0.089 Uiso 1 1 calc R
C118 C 0.5427(7) 1.1616(4) 0.9839(4) 0.067(2) Uani 1 1 d .
H118 H 0.6094 1.1937 1.0153 0.080 Uiso 1 1 calc R
C119 C 0.5002(7) 1.1788(4) 0.9250(4) 0.073(3) Uani 1 1 d .
H119 H 0.5383 1.2179 0.9133 0.088 Uiso 1 1 calc R
C120 C 0.3955(6) 1.1323(5) 0.8849(5) 0.074(3) Uani 1 1 d .
H120 H 0.3610 1.1373 0.8425 0.088 Uiso 1 1 calc R
C121 C -0.2363(5) 0.8975(3) 0.5190(4) 0.0464(16) Uani 1 1 d .
C122 C -0.3089(5) 0.9318(4) 0.5062(4) 0.0522(18) Uani 1 1 d .
H122 H -0.2864 0.9796 0.5257 0.063 Uiso 1 1 calc R
C123 C -0.4142(6) 0.8946(4) 0.4644(4) 0.061(2) Uani 1 1 d .
H123 H -0.4644 0.9175 0.4555 0.073 Uiso 1 1 calc R
C124 C -0.4501(5) 0.8233(4) 0.4344(4) 0.0510(17) Uani 1 1 d .
H124 H -0.5223 0.7988 0.4046 0.061 Uiso 1 1 calc R
C125 C -0.3736(5) 0.7890(3) 0.4504(4) 0.0466(16) Uani 1 1 d .
H125 H -0.3949 0.7414 0.4308 0.056 Uiso 1 1 calc R
C126 C -0.2684(5) 0.8261(3) 0.4946(3) 0.0431(15) Uani 1 1 d .
C127 C -0.2063(5) 0.7791(3) 0.5103(3) 0.0417(15) Uani 1 1 d .
H127 H -0.2438 0.7312 0.4993 0.050 Uiso 1 1 calc R
C128 C -0.0404(6) 0.7624(4) 0.5601(4) 0.0465(16) Uani 1 1 d .
H12A H -0.0827 0.7143 0.5335 0.056 Uiso 1 1 calc R
H12B H -0.0273 0.7650 0.6084 0.056 Uiso 1 1 calc R
C129 C 0.0669(6) 0.7889(4) 0.5459(5) 0.058(2) Uani 1 1 d .
H12C H 0.1153 0.7651 0.5642 0.069 Uiso 1 1 calc R
H12D H 0.0528 0.7791 0.4968 0.069 Uiso 1 1 calc R
C130 C 0.2244(6) 0.9025(4) 0.6185(4) 0.0492(17) Uani 1 1 d .
H130 H 0.2728 0.8789 0.6298 0.059 Uiso 1 1 calc R
C131 C 0.2698(6) 0.9765(4) 0.6479(4) 0.0531(18) Uani 1 1 d .
C132 C 0.3787(6) 1.0031(4) 0.6837(4) 0.0518(18) Uani 1 1 d .
H132 H 0.4151 0.9716 0.6895 0.062 Uiso 1 1 calc R
C133 C 0.4410(6) 1.0729(4) 0.7125(4) 0.0579(19) Uani 1 1 d .
H133 H 0.5169 1.0876 0.7359 0.069 Uiso 1 1 calc R
C134 C 0.3884(6) 1.1210(4) 0.7060(4) 0.0531(18) Uani 1 1 d .
H134 H 0.4284 1.1679 0.7287 0.064 Uiso 1 1 calc R
C135 C 0.2769(6) 1.1005(4) 0.6663(4) 0.0473(16) Uani 1 1 d .
H135 H 0.2446 1.1332 0.6573 0.057 Uiso 1 1 calc R
C136 C 0.2166(5) 1.0298(3) 0.6410(4) 0.0465(16) Uani 1 1 d .
C137 C -0.1490(6) 0.8875(3) 0.2178(4) 0.0518(18) Uani 1 1 d .
C138 C -0.2515(6) 0.8476(4) 0.1640(4) 0.0472(16) Uani 1 1 d .
H138 H -0.2884 0.8014 0.1621 0.057 Uiso 1 1 calc R
C139 C -0.2969(6) 0.8763(3) 0.1146(4) 0.0478(16) Uani 1 1 d .
H139 H -0.3661 0.8501 0.0819 0.057 Uiso 1 1 calc R
C140 C -0.2418(5) 0.9427(4) 0.1130(4) 0.0521(17) Uani 1 1 d .
H140 H -0.2706 0.9602 0.0776 0.063 Uiso 1 1 calc R
C141 C -0.1408(6) 0.9844(3) 0.1657(4) 0.0512(18) Uani 1 1 d .
H141 H -0.1040 1.0305 0.1671 0.061 Uiso 1 1 calc R
C142 C -0.0988(5) 0.9553(3) 0.2145(4) 0.0471(16) Uani 1 1 d .
C143 C 0.0034(6) 1.0000(3) 0.2682(3) 0.0475(16) Uani 1 1 d .
H143 H 0.0264 1.0474 0.2705 0.057 Uiso 1 1 calc R
C144 C 0.1693(6) 1.0306(3) 0.3713(4) 0.0532(18) Uani 1 1 d .
H144 H 0.1480 1.0297 0.4129 0.064 Uiso 1 1 calc R
C145 C 0.2495(6) 0.9924(4) 0.3761(4) 0.0508(17) Uani 1 1 d .
H145 H 0.2652 0.9901 0.3325 0.061 Uiso 1 1 calc R
C146 C 0.2518(5) 0.8825(3) 0.4034(4) 0.0482(17) Uani 1 1 d .
H146 H 0.3289 0.9031 0.4224 0.058 Uiso 1 1 calc R
C147 C 0.2033(5) 0.8144(3) 0.4092(3) 0.0416(14) Uani 1 1 d .
C148 C 0.2700(5) 0.7894(3) 0.4514(4) 0.0469(17) Uani 1 1 d .
H148 H 0.3419 0.8185 0.4785 0.056 Uiso 1 1 calc R
C149 C 0.2293(6) 0.7194(3) 0.4535(4) 0.0460(15) Uani 1 1 d .
H149 H 0.2751 0.7017 0.4807 0.055 Uiso 1 1 calc R
C150 C 0.1211(6) 0.6770(3) 0.4150(4) 0.0505(17) Uani 1 1 d .
H150 H 0.0928 0.6314 0.4178 0.061 Uiso 1 1 calc R
C151 C 0.0540(5) 0.7030(3) 0.3719(3) 0.0402(14) Uani 1 1 d .
H151 H -0.0180 0.6740 0.3448 0.048 Uiso 1 1 calc R
C152 C 0.0940(5) 0.7713(3) 0.3693(3) 0.0384(14) Uani 1 1 d .
C153 C 0.1921(7) 1.1039(4) 0.3675(4) 0.058(2) Uani 1 1 d .
C154 C 0.1678(6) 1.1505(4) 0.4087(5) 0.061(2) Uani 1 1 d .
H154 H 0.1393 1.1367 0.4425 0.073 Uiso 1 1 calc R
C155 C 0.1830(6) 1.2176(4) 0.4033(4) 0.0571(19) Uani 1 1 d .
H155 H 0.1646 1.2480 0.4327 0.068 Uiso 1 1 calc R
C156 C 0.2254(6) 1.2386(4) 0.3542(4) 0.0571(19) Uani 1 1 d .
H156 H 0.2345 1.2835 0.3501 0.069 Uiso 1 1 calc R
C157 C 0.2556(6) 1.1951(4) 0.3099(4) 0.0593(19) Uani 1 1 d .
H157 H 0.2896 1.2111 0.2789 0.071 Uiso 1 1 calc R
C158 C 0.2313(5) 1.1236(4) 0.3144(4) 0.060(2) Uani 1 1 d .
H158 H 0.2415 1.0909 0.2825 0.072 Uiso 1 1 calc R
C159 C 0.3634(6) 1.0293(3) 0.4293(3) 0.0413(15) Uani 1 1 d .
C160 C 0.4618(6) 1.0460(3) 0.4159(4) 0.0502(17) Uani 1 1 d .
H160 H 0.4634 1.0333 0.3714 0.060 Uiso 1 1 calc R
C161 C 0.5590(7) 1.0823(5) 0.4698(5) 0.073(2) Uani 1 1 d .
H161 H 0.6258 1.0941 0.4602 0.087 Uiso 1 1 calc R
C162 C 0.5629(7) 1.1018(4) 0.5356(5) 0.075(3) Uani 1 1 d .
H162 H 0.6303 1.1263 0.5704 0.090 Uiso 1 1 calc R
C163 C 0.4600(7) 1.0834(4) 0.5501(4) 0.063(2) Uani 1 1 d .
H163 H 0.4588 1.0947 0.5949 0.076 Uiso 1 1 calc R
C164 C 0.3621(6) 1.0484(3) 0.4959(3) 0.0502(17) Uani 1 1 d .
H164 H 0.2943 1.0374 0.5043 0.060 Uiso 1 1 calc R
C165 C 0.2328(8) 0.9877(5) 0.1014(6) 0.080(3) Uani 1 1 d .
C166 C 0.3234(8) 1.0514(5) 0.1261(6) 0.084(3) Uani 1 1 d .
H166 H 0.3962 1.0537 0.1444 0.101 Uiso 1 1 calc R
C167 C 0.2980(9) 1.1108(5) 0.1215(6) 0.085(3) Uani 1 1 d .
H167 H 0.3587 1.1526 0.1367 0.103 Uiso 1 1 calc R
C168 C 0.1957(10) 1.1165(6) 0.0976(6) 0.101(4) Uani 1 1 d .
H168 H 0.1858 1.1588 0.0979 0.121 Uiso 1 1 calc R
C169 C 0.1022(9) 1.0475(6) 0.0713(6) 0.096(4) Uani 1 1 d .
H169 H 0.0287 1.0442 0.0533 0.116 Uiso 1 1 calc R
C170 C 0.1280(8) 0.9916(6) 0.0745(6) 0.090(3) Uani 1 1 d .
C171 C 0.0200(8) 0.9304(6) 0.0373(5) 0.082(3) Uani 1 1 d .
H171 H -0.0442 0.9396 0.0198 0.099 Uiso 1 1 calc R
C172 C -0.0883(7) 0.8029(5) 0.0126(5) 0.076(3) Uani 1 1 d .
H17A H -0.1516 0.8125 -0.0125 0.091 Uiso 1 1 calc R
H17B H -0.0996 0.7940 0.0547 0.091 Uiso 1 1 calc R
C173 C -0.0797(7) 0.7420(4) -0.0285(5) 0.066(2) Uani 1 1 d .
H17C H -0.0722 0.7498 -0.0718 0.079 Uiso 1 1 calc R
H17D H -0.1462 0.7015 -0.0381 0.079 Uiso 1 1 calc R
C174 C 0.0271(7) 0.6708(5) 0.0154(4) 0.065(2) Uani 1 1 d .
H174 H -0.0396 0.6338 0.0047 0.079 Uiso 1 1 calc R
C175 C 0.1324(7) 0.6551(4) 0.0359(4) 0.067(2) Uani 1 1 d .
C176 C 0.1286(7) 0.5886(4) 0.0344(4) 0.061(2) Uani 1 1 d .
H176 H 0.0592 0.5529 0.0148 0.073 Uiso 1 1 calc R
C177 C 0.2188(7) 0.5700(6) 0.0593(5) 0.078(3) Uani 1 1 d .
H177 H 0.2127 0.5243 0.0593 0.093 Uiso 1 1 calc R
C178 C 0.3259(8) 0.6291(5) 0.0860(5) 0.080(3) Uani 1 1 d .
H178 H 0.3921 0.6212 0.1010 0.095 Uiso 1 1 calc R
C179 C 0.3282(7) 0.6941(5) 0.0888(5) 0.076(2) Uani 1 1 d .
H179 H 0.3960 0.7309 0.1097 0.091 Uiso 1 1 calc R
C180 C 0.2330(6) 0.7095(4) 0.0618(4) 0.061(2) Uani 1 1 d .
C181 C 0.1607(5) 0.8690(4) 0.9892(3) 0.0456(16) Uani 1 1 d .
C182 C 0.0139(6) 0.9117(3) 0.6713(4) 0.0438(15) Uani 1 1 d .
C183 C -0.0087(6) 0.9122(3) 0.4722(3) 0.0452(16) Uani 1 1 d .
C184 C 0.1181(6) 0.8500(3) 0.1732(5) 0.0533(19) Uani 1 1 d .
Mn1 Mn 0.73046(10) 0.55691(7) 0.88590(7) 0.0414(2) Uani 1 1 d .
Mn2 Mn 0.77597(10) 0.56518(6) 0.39624(6) 0.0394(2) Uani 1 1 d .
Mn3 Mn 0.03720(10) 0.88046(6) 0.31777(6) 0.0394(2) Uani 1 1 d .
Mn4 Mn 0.08156(10) 0.88650(6) 0.82859(6) 0.0397(2) Uani 1 1 d .
N1 N 0.7714(5) 0.4732(3) 0.8478(3) 0.0500(15) Uani 1 1 d .
N2 N 0.5780(4) 0.4833(3) 0.8604(3) 0.0362(12) Uani 1 1 d .
N3 N 0.8095(5) 0.5522(3) 0.6425(3) 0.0450(14) Uani 1 1 d .
N4 N 0.7910(4) 0.6765(3) 0.6705(3) 0.0314(11) Uani 1 1 d .
N5 N 0.7473(4) 0.4687(3) 0.4110(3) 0.0410(13) Uani 1 1 d .
N6 N 0.6192(5) 0.5217(3) 0.3272(3) 0.0424(13) Uani 1 1 d .
N7 N 0.9176(5) 0.6387(3) 0.1754(3) 0.0446(14) Uani 1 1 d .
N8 N 0.7004(5) 0.5819(3) 0.1360(3) 0.0388(14) Uani 1 1 d .
N9 N 0.7777(5) 0.5359(3) 0.9900(3) 0.0501(15) Uani 1 1 d .
N10 N 0.6727(5) 0.5651(3) 0.7749(3) 0.0438(14) Uani 1 1 d .
N11 N 0.6982(5) 0.5913(3) 0.4767(3) 0.0422(13) Uani 1 1 d .
N12 N 0.8362(5) 0.5408(3) 0.3040(3) 0.0465(14) Uani 1 1 d .
N13 N 0.0461(4) 0.9687(3) 0.8736(3) 0.0424(13) Uani 1 1 d .
N14 N 0.2290(5) 0.9563(3) 0.8410(3) 0.0475(14) Uani 1 1 d .
N15 N -0.0968(5) 0.8064(3) 0.5403(3) 0.0411(13) Uani 1 1 d .
N16 N 0.1206(5) 0.8626(3) 0.5767(3) 0.0420(14) Uani 1 1 d .
N17 N 0.0686(5) 0.9804(3) 0.3149(3) 0.0435(13) Uani 1 1 d .
N18 N 0.1995(5) 0.9213(3) 0.3735(3) 0.0498(15) Uani 1 1 d .
N19 N 0.0123(6) 0.8624(4) 0.0284(5) 0.076(2) Uani 1 1 d .
N20 N 0.0201(6) 0.7301(4) 0.0110(4) 0.071(2) Uani 1 1 d .
N21 N 0.1534(5) 0.8763(3) 0.9331(3) 0.0488(15) Uani 1 1 d .
N22 N 0.0166(5) 0.9111(3) 0.7270(3) 0.0488(15) Uani 1 1 d .
N23 N -0.0093(5) 0.9081(3) 0.4170(3) 0.0492(15) Uani 1 1 d .
N24 N 0.0921(5) 0.8576(3) 0.2205(4) 0.0506(15) Uani 1 1 d .
O1 O 0.8552(4) 0.6181(2) 0.8627(2) 0.0414(10) Uani 1 1 d .
O2 O 0.6767(4) 0.6342(2) 0.9239(3) 0.0506(12) Uani 1 1 d .
O3 O 0.5557(4) 0.4833(2) 0.5778(3) 0.0454(12) Uani 1 1 d .
O4 O 0.5536(4) 0.6293(2) 0.6209(3) 0.0440(11) Uani 1 1 d .
O5 O 0.9253(4) 0.5984(2) 0.4650(3) 0.0491(12) Uani 1 1 d .
O6 O 0.7941(4) 0.6603(2) 0.3814(3) 0.0428(11) Uani 1 1 d .
O7 O 0.9578(4) 0.5103(2) 0.1553(2) 0.0425(11) Uani 1 1 d .
O8 O 0.7112(4) 0.4400(2) 0.1257(2) 0.0450(11) Uani 1 1 d .
O9 O -0.0657(4) 0.8171(2) 0.8193(2) 0.0440(11) Uani 1 1 d .
O10 O 0.1209(4) 0.8135(2) 0.7766(2) 0.0448(11) Uani 1 1 d .
O11 O -0.1360(4) 0.9414(2) 0.5608(2) 0.0439(11) Uani 1 1 d .
O12 O 0.1148(4) 1.0074(2) 0.6000(3) 0.0434(11) Uani 1 1 d .
O13 O -0.1102(4) 0.8526(2) 0.2561(2) 0.0413(11) Uani 1 1 d .
O14 O 0.0214(4) 0.7915(2) 0.3251(2) 0.0451(11) Uani 1 1 d .
O15 O 0.2489(5) 0.9288(3) 0.1016(3) 0.0698(16) Uani 1 1 d .
O16 O 0.2517(5) 0.7735(3) 0.0611(3) 0.0675(16) Uani 1 1 d .
Ru1 Ru 0.67050(7) 0.58134(4) 0.62743(4) 0.03297(12) Uani 1 1 d .
Ru2 Ru 0.81949(7) 0.53790(4) 0.14769(5) 0.03974(13) Uani 1 1 d .
Ru3 Ru -0.00132(7) 0.90933(4) 0.57117(5) 0.03948(13) Uani 1 1 d .
Ru4 Ru 0.13384(8) 0.83220(5) 0.05657(6) 0.0658(2) 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'
Mn Mn 0.3368 0.7283 '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
O1 C1 C2 115.3(6) . .
O1 C1 C6 123.3(6) . .
C2 C1 C6 121.2(7) . .
C1 C2 C3 118.7(7) . .
C1 C2 H2 120.7 . .
C3 C2 H2 120.7 . .
C4 C3 C2 121.0(7) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C3 C4 C5 121.3(8) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C4 C5 C6 118.6(7) . .
C4 C5 H5 120.7 . .
C6 C5 H5 120.7 . .
C7 C6 C1 123.3(6) . .
C7 C6 C5 117.5(6) . .
C1 C6 C5 119.1(6) . .
N1 C7 C6 128.6(6) . .
N1 C7 H7 115.7 . .
C6 C7 H7 115.7 . .
N1 C8 C17 111.6(6) . .
N1 C8 C9 103.6(5) . .
C17 C8 C9 113.7(7) . .
N1 C8 H8 109.3 . .
C17 C8 H8 109.3 . .
C9 C8 H8 109.3 . .
N2 C9 C23 103.7(5) . .
N2 C9 C8 99.2(5) . .
C23 C9 C8 111.3(6) . .
N2 C9 H9 113.8 . .
C23 C9 H9 113.8 . .
C8 C9 H9 113.8 . .
N2 C10 C11 133.3(6) . .
N2 C10 H10 113.3 . .
C11 C10 H10 113.3 . .
C16 C11 C12 116.8(7) . .
C16 C11 C10 124.2(7) . .
C12 C11 C10 118.8(6) . .
C11 C12 C13 120.8(6) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 117.5(7) . .
C14 C13 H13 121.2 . .
C12 C13 H13 121.2 . .
C15 C14 C13 119.2(7) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C14 C15 C16 124.4(7) . .
C14 C15 H15 117.8 . .
C16 C15 H15 117.8 . .
O2 C16 C15 118.9(6) . .
O2 C16 C11 119.5(6) . .
C15 C16 C11 121.1(7) . .
C22 C17 C18 117.4(7) . .
C22 C17 C8 119.0(7) . .
C18 C17 C8 123.5(7) . .
C17 C18 C19 122.9(8) . .
C17 C18 H18 118.6 . .
C19 C18 H18 118.6 . .
C18 C19 C20 119.3(8) . .
C18 C19 H19 120.3 . .
C20 C19 H19 120.3 . .
C21 C20 C19 118.5(7) . .
C21 C20 H20 120.8 . .
C19 C20 H20 120.8 . .
C20 C21 C22 120.0(8) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C17 C22 C21 121.8(8) . .
C17 C22 H22 119.1 . .
C21 C22 H22 119.1 . .
C28 C23 C24 120.5(8) . .
C28 C23 C9 123.2(7) . .
C24 C23 C9 116.1(7) . .
C25 C24 C23 118.9(8) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
C24 C25 C26 118.0(9) . .
C24 C25 H25 121.0 . .
C26 C25 H25 121.0 . .
C27 C26 C25 122.6(8) . .
C27 C26 H26 118.7 . .
C25 C26 H26 118.7 . .
C26 C27 C28 120.5(9) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C27 C28 C23 119.4(8) . .
C27 C28 H28 120.3 . .
C23 C28 H28 120.3 . .
O3 C29 C34 127.5(6) . .
O3 C29 C30 110.6(6) . .
C34 C29 C30 121.1(7) . .
C29 C30 C31 121.0(7) . .
C29 C30 H30 119.5 . .
C31 C30 H30 119.5 . .
C30 C31 C32 118.4(7) . .
C30 C31 H31 120.8 . .
C32 C31 H31 120.8 . .
C33 C32 C31 121.2(7) . .
C33 C32 H32 119.4 . .
C31 C32 H32 119.4 . .
C32 C33 C34 119.8(7) . .
C32 C33 H33 120.1 . .
C34 C33 H33 120.1 . .
C29 C34 C35 127.7(6) . .
C29 C34 C33 118.1(7) . .
C35 C34 C33 114.0(7) . .
N3 C35 C34 129.4(6) . .
N3 C35 H35 115.3 . .
C34 C35 H35 115.3 . .
N3 C36 C37 114.4(5) . .
N3 C36 H36A 108.7 . .
C37 C36 H36A 108.7 . .
N3 C36 H36B 108.7 . .
C37 C36 H36B 108.7 . .
H36A C36 H36B 107.6 . .
C36 C37 N4 101.6(5) . .
C36 C37 H37A 111.5 . .
N4 C37 H37A 111.5 . .
C36 C37 H37B 111.5 . .
N4 C37 H37B 111.5 . .
H37A C37 H37B 109.3 . .
N4 C38 C39 120.4(5) . .
N4 C38 H38 119.8 . .
C39 C38 H38 119.8 . .
C40 C39 C44 119.6(6) . .
C40 C39 C38 111.5(6) . .
C44 C39 C38 127.4(5) . .
C39 C40 C41 122.5(6) . .
C39 C40 H40 118.7 . .
C41 C40 H40 118.7 . .
C42 C41 C40 118.4(7) . .
C42 C41 H41 120.8 . .
C40 C41 H41 120.8 . .
C41 C42 C43 119.8(7) . .
C41 C42 H42 120.1 . .
C43 C42 H42 120.1 . .
C44 C43 C42 122.1(6) . .
C44 C43 H43 118.9 . .
C42 C43 H43 118.9 . .
O4 C44 C43 118.6(5) . .
O4 C44 C39 123.8(5) . .
C43 C44 C39 117.6(6) . .
O5 C45 C50 121.6(6) . .
O5 C45 C46 118.1(6) . .
C50 C45 C46 120.3(7) . .
C47 C46 C45 119.4(7) . .
C47 C46 H46 120.3 . .
C45 C46 H46 120.3 . .
C48 C47 C46 121.0(7) . .
C48 C47 H47 119.5 . .
C46 C47 H47 119.5 . .
C47 C48 C49 121.8(7) . .
C47 C48 H48 119.1 . .
C49 C48 H48 119.1 . .
C50 C49 C48 117.6(7) . .
C50 C49 H49 121.2 . .
C48 C49 H49 121.2 . .
C45 C50 C49 119.5(7) . .
C45 C50 C51 124.7(6) . .
C49 C50 C51 115.3(6) . .
N5 C51 C50 125.9(6) . .
N5 C51 H51 117.0 . .
C50 C51 H51 117.0 . .
N5 C52 C53 113.1(6) . .
N5 C52 C61 117.4(6) . .
C53 C52 C61 105.5(6) . .
N5 C52 H52 106.7 . .
C53 C52 H52 106.7 . .
C61 C52 H52 106.7 . .
N6 C53 C52 105.1(5) . .
N6 C53 C67 109.3(5) . .
C52 C53 C67 115.3(6) . .
N6 C53 H53 109.0 . .
C52 C53 H53 109.0 . .
C67 C53 H53 109.0 . .
N6 C54 C55 135.8(5) . .
N6 C54 H54 112.1 . .
C55 C54 H54 112.1 . .
C60 C55 C56 119.3(6) . .
C60 C55 C54 120.0(6) . .
C56 C55 C54 120.7(6) . .
C57 C56 C55 121.4(6) . .
C57 C56 H56 119.3 . .
C55 C56 H56 119.3 . .
C56 C57 C58 120.0(7) . .
C56 C57 H57 120.0 . .
C58 C57 H57 120.0 . .
C59 C58 C57 119.3(6) . .
C59 C58 H58 120.3 . .
C57 C58 H58 120.3 . .
C58 C59 C60 121.3(6) . .
C58 C59 H59 119.3 . .
C60 C59 H59 119.3 . .
O6 C60 C55 124.4(6) . .
O6 C60 C59 117.0(5) . .
C55 C60 C59 118.6(6) . .
C62 C61 C66 121.7(7) . .
C62 C61 C52 118.9(7) . .
C66 C61 C52 119.3(7) . .
C61 C62 C63 118.7(7) . .
C61 C62 H62 120.7 . .
C63 C62 H62 120.7 . .
C64 C63 C62 120.6(7) . .
C64 C63 H63 119.7 . .
C62 C63 H63 119.7 . .
C65 C64 C63 121.5(7) . .
C65 C64 H64 119.3 . .
C63 C64 H64 119.3 . .
C64 C65 C66 120.4(8) . .
C64 C65 H65 119.8 . .
C66 C65 H65 119.8 . .
C65 C66 C61 116.9(8) . .
C65 C66 H66 121.6 . .
C61 C66 H66 121.6 . .
C72 C67 C68 117.4(6) . .
C72 C67 C53 119.5(6) . .
C68 C67 C53 123.1(6) . .
C69 C68 C67 119.0(7) . .
C69 C68 H68 120.5 . .
C67 C68 H68 120.5 . .
C70 C69 C68 119.6(8) . .
C70 C69 H69 120.2 . .
C68 C69 H69 120.2 . .
C69 C70 C71 124.8(7) . .
C69 C70 H70 117.6 . .
C71 C70 H70 117.6 . .
C72 C71 C70 113.2(7) . .
C72 C71 H71 123.4 . .
C70 C71 H71 123.4 . .
C71 C72 C67 125.5(8) . .
C71 C72 H72 117.3 . .
C67 C72 H72 117.3 . .
O7 C73 C78 129.9(6) . .
O7 C73 C74 110.4(5) . .
C78 C73 C74 119.6(6) . .
C75 C74 C73 120.3(6) . .
C75 C74 H74 119.9 . .
C73 C74 H74 119.9 . .
C76 C75 C74 117.3(7) . .
C76 C75 H75 121.3 . .
C74 C75 H75 121.3 . .
C77 C76 C75 122.5(7) . .
C77 C76 H76 118.7 . .
C75 C76 H76 118.7 . .
C76 C77 C78 123.4(7) . .
C76 C77 H77 118.3 . .
C78 C77 H77 118.3 . .
C73 C78 C79 119.2(6) . .
C73 C78 C77 116.7(6) . .
C79 C78 C77 123.7(6) . .
N7 C79 C78 129.3(6) . .
N7 C79 H79 115.4 . .
C78 C79 H79 115.4 . .
C81 C80 N7 116.0(5) . .
C81 C80 H80A 108.3 . .
N7 C80 H80A 108.3 . .
C81 C80 H80B 108.3 . .
N7 C80 H80B 108.3 . .
H80A C80 H80B 107.4 . .
C80 C81 N8 101.2(5) . .
C80 C81 H81A 111.5 . .
N8 C81 H81A 111.5 . .
C80 C81 H81B 111.5 . .
N8 C81 H81B 111.5 . .
H81A C81 H81B 109.4 . .
N8 C82 C83 116.6(6) . .
N8 C82 H82 121.7 . .
C83 C82 H82 121.7 . .
C88 C83 C84 118.1(6) . .
C88 C83 C82 131.7(7) . .
C84 C83 C82 109.6(6) . .
C85 C84 C83 116.6(7) . .
C85 C84 H84 121.7 . .
C83 C84 H84 121.7 . .
C84 C85 C86 123.8(7) . .
C84 C85 H85 118.1 . .
C86 C85 H85 118.1 . .
C87 C86 C85 117.1(7) . .
C87 C86 H86 121.4 . .
C85 C86 H86 121.4 . .
C86 C87 C88 122.9(7) . .
C86 C87 H87 118.6 . .
C88 C87 H87 118.6 . .
C87 C88 O8 113.8(6) . .
C87 C88 C83 121.2(7) . .
O8 C88 C83 125.1(6) . .
N9 C89 Ru2 168.5(5) . 1_556
N10 C90 Ru1 175.3(5) . .
N11 C91 Ru1 172.3(5) . .
N12 C92 Ru2 178.4(6) . .
O9 C93 C94 118.1(6) . .
O9 C93 C98 121.9(6) . .
C94 C93 C98 120.0(7) . .
C93 C94 C95 120.4(6) . .
C93 C94 H94 119.8 . .
C95 C94 H94 119.8 . .
C96 C95 C94 120.1(7) . .
C96 C95 H95 119.9 . .
C94 C95 H95 119.9 . .
C97 C96 C95 118.5(7) . .
C97 C96 H96 120.7 . .
C95 C96 H96 120.7 . .
C96 C97 C98 121.3(7) . .
C96 C97 H97 119.3 . .
C98 C97 H97 119.3 . .
C97 C98 C93 119.6(7) . .
C97 C98 C99 115.4(6) . .
C93 C98 C99 124.3(7) . .
N13 C99 C98 130.5(6) . .
N13 C99 H99 114.8 . .
C98 C99 H99 114.8 . .
N13 C100 C101 110.1(5) . .
N13 C100 C109 109.0(5) . .
C101 C100 C109 103.2(6) . .
N13 C100 H100 111.4 . .
C101 C100 H100 111.4 . .
C109 C100 H100 111.4 . .
N14 C101 C100 110.9(5) . .
N14 C101 C115 109.3(5) . .
C100 C101 C115 110.8(6) . .
N14 C101 H101 108.6 . .
C100 C101 H101 108.6 . .
C115 C101 H101 108.6 . .
N14 C102 C103 124.4(6) . .
N14 C102 H102 117.8 . .
C103 C102 H102 117.8 . .
C104 C103 C108 117.5(6) . .
C104 C103 C102 116.4(6) . .
C108 C103 C102 126.0(6) . .
C103 C104 C105 120.1(6) . .
C103 C104 H104 119.9 . .
C105 C104 H104 119.9 . .
C106 C105 C104 120.9(7) . .
C106 C105 H105 119.6 . .
C104 C105 H105 119.6 . .
C105 C106 C107 118.9(7) . .
C105 C106 H106 120.6 . .
C107 C106 H106 120.6 . .
C108 C107 C106 121.1(7) . .
C108 C107 H107 119.4 . .
C106 C107 H107 119.4 . .
O10 C108 C107 118.2(6) . .
O10 C108 C103 120.5(5) . .
C107 C108 C103 121.3(6) . .
C110 C109 C114 121.8(8) . .
C110 C109 C100 123.4(7) . .
C114 C109 C100 114.8(7) . .
C109 C110 C111 122.2(7) . .
C109 C110 H110 118.9 . .
C111 C110 H110 118.9 . .
C112 C111 C110 115.6(7) . .
C112 C111 H111 122.2 . .
C110 C111 H111 122.2 . .
C111 C112 C113 126.0(8) . .
C111 C112 H112 117.0 . .
C113 C112 H112 117.0 . .
C112 C113 C114 115.4(8) . .
C112 C113 H113 122.3 . .
C114 C113 H113 122.3 . .
C109 C114 C113 118.9(7) . .
C109 C114 H114 120.6 . .
C113 C114 H114 120.6 . .
C116 C115 C120 124.3(8) . .
C116 C115 C101 116.1(8) . .
C120 C115 C101 119.6(7) . .
C117 C116 C115 118.3(9) . .
C117 C116 H116 120.9 . .
C115 C116 H116 120.9 . .
C116 C117 C118 116.7(9) . .
C116 C117 H117 121.7 . .
C118 C117 H117 121.7 . .
C117 C118 C119 125.4(7) . .
C117 C118 H118 117.3 . .
C119 C118 H118 117.3 . .
C118 C119 C120 113.5(8) . .
C118 C119 H119 123.3 . .
C120 C119 H119 123.3 . .
C115 C120 C119 119.0(9) . .
C115 C120 H120 120.5 . .
C119 C120 H120 120.5 . .
O11 C121 C122 111.0(6) . .
O11 C121 C126 126.4(6) . .
C122 C121 C126 122.5(6) . .
C123 C122 C121 118.2(7) . .
C123 C122 H122 120.9 . .
C121 C122 H122 120.9 . .
C122 C123 C124 122.2(7) . .
C122 C123 H123 118.9 . .
C124 C123 H123 118.9 . .
C123 C124 C125 118.0(6) . .
C123 C124 H124 121.0 . .
C125 C124 H124 121.0 . .
C126 C125 C124 119.8(6) . .
C126 C125 H125 120.1 . .
C124 C125 H125 120.1 . .
C125 C126 C121 118.9(6) . .
C125 C126 C127 111.1(6) . .
C121 C126 C127 130.0(6) . .
N15 C127 C126 119.2(6) . .
N15 C127 H127 120.4 . .
C126 C127 H127 120.4 . .
N15 C128 C129 104.5(6) . .
N15 C128 H12A 110.8 . .
C129 C128 H12A 110.8 . .
N15 C128 H12B 110.8 . .
C129 C128 H12B 110.8 . .
H12A C128 H12B 108.9 . .
N16 C129 C128 110.5(6) . .
N16 C129 H12C 109.5 . .
C128 C129 H12C 109.5 . .
N16 C129 H12D 109.5 . .
C128 C129 H12D 109.5 . .
H12C C129 H12D 108.1 . .
N16 C130 C131 128.3(7) . .
N16 C130 H130 115.8 . .
C131 C130 H130 115.8 . .
C132 C131 C130 115.3(7) . .
C132 C131 C136 114.5(6) . .
C130 C131 C136 130.1(7) . .
C131 C132 C133 125.3(7) . .
C131 C132 H132 117.3 . .
C133 C132 H132 117.3 . .
C132 C133 C134 118.6(7) . .
C132 C133 H133 120.7 . .
C134 C133 H133 120.7 . .
C133 C134 C135 121.6(7) . .
C133 C134 H134 119.2 . .
C135 C134 H134 119.2 . .
C136 C135 C134 117.4(7) . .
C136 C135 H135 121.3 . .
C134 C135 H135 121.3 . .
O12 C136 C135 120.3(6) . .
O12 C136 C131 116.5(6) . .
C135 C136 C131 122.1(6) . .
O13 C137 C142 129.6(6) . .
O13 C137 C138 114.9(6) . .
C142 C137 C138 114.7(7) . .
C139 C138 C137 121.3(7) . .
C139 C138 H138 119.3 . .
C137 C138 H138 119.3 . .
C140 C139 C138 121.1(7) . .
C140 C139 H139 119.5 . .
C138 C139 H139 119.5 . .
C139 C140 C141 119.4(7) . .
C139 C140 H140 120.3 . .
C141 C140 H140 120.3 . .
C142 C141 C140 118.2(6) . .
C142 C141 H141 120.9 . .
C140 C141 H141 120.9 . .
C141 C142 C137 125.1(6) . .
C141 C142 C143 116.4(6) . .
C137 C142 C143 118.4(7) . .
N17 C143 C142 126.8(6) . .
N17 C143 H143 116.6 . .
C142 C143 H143 116.6 . .
C153 C144 N17 112.2(6) . .
C153 C144 C145 126.9(6) . .
N17 C144 C145 102.9(5) . .
C153 C144 H144 104.2 . .
N17 C144 H144 104.2 . .
C145 C144 H144 104.2 . .
N18 C145 C144 112.9(6) . .
N18 C145 C159 114.4(6) . .
C144 C145 C159 117.1(6) . .
N18 C145 H145 103.4 . .
C144 C145 H145 103.4 . .
C159 C145 H145 103.4 . .
N18 C146 C147 127.7(6) . .
N18 C146 H146 116.1 . .
C147 C146 H146 116.1 . .
C148 C147 C152 120.4(6) . .
C148 C147 C146 117.6(6) . .
C152 C147 C146 121.7(6) . .
C147 C148 C149 119.9(6) . .
C147 C148 H148 120.1 . .
C149 C148 H148 120.1 . .
C150 C149 C148 119.8(6) . .
C150 C149 H149 120.1 . .
C148 C149 H149 120.1 . .
C149 C150 C151 119.8(6) . .
C149 C150 H150 120.1 . .
C151 C150 H150 120.1 . .
C152 C151 C150 120.4(6) . .
C152 C151 H151 119.8 . .
C150 C151 H151 119.8 . .
O14 C152 C151 115.8(5) . .
O14 C152 C147 124.6(5) . .
C151 C152 C147 119.6(6) . .
C154 C153 C158 118.5(7) . .
C154 C153 C144 122.9(8) . .
C158 C153 C144 118.3(7) . .
C153 C154 C155 123.6(8) . .
C153 C154 H154 118.2 . .
C155 C154 H154 118.2 . .
C156 C155 C154 118.7(8) . .
C156 C155 H155 120.7 . .
C154 C155 H155 120.7 . .
C155 C156 C157 122.5(8) . .
C155 C156 H156 118.7 . .
C157 C156 H156 118.7 . .
C156 C157 C158 116.7(8) . .
C156 C157 H157 121.7 . .
C158 C157 H157 121.7 . .
C153 C158 C157 119.6(8) . .
C153 C158 H158 120.2 . .
C157 C158 H158 120.2 . .
C160 C159 C164 120.1(6) . .
C160 C159 C145 125.4(6) . .
C164 C159 C145 114.5(6) . .
C159 C160 C161 118.6(8) . .
C159 C160 H160 120.7 . .
C161 C160 H160 120.7 . .
C162 C161 C160 123.8(9) . .
C162 C161 H161 118.1 . .
C160 C161 H161 118.1 . .
C161 C162 C163 117.9(7) . .
C161 C162 H162 121.1 . .
C163 C162 H162 121.1 . .
C164 C163 C162 118.4(7) . .
C164 C163 H163 120.8 . .
C162 C163 H163 120.8 . .
C163 C164 C159 121.2(7) . .
C163 C164 H164 119.4 . .
C159 C164 H164 119.4 . .
O15 C165 C170 123.3(10) . .
O15 C165 C166 120.5(8) . .
C170 C165 C166 116.1(9) . .
C167 C166 C165 116.1(9) . .
C167 C166 H166 121.9 . .
C165 C166 H166 121.9 . .
C168 C167 C166 129.0(10) . .
C168 C167 H167 115.5 . .
C166 C167 H167 115.5 . .
C167 C168 C169 113.0(9) . .
C167 C168 H168 123.5 . .
C169 C168 H168 123.5 . .
C170 C169 C168 117.1(9) . .
C170 C169 H169 121.4 . .
C168 C169 H169 121.4 . .
C169 C170 C165 128.5(11) . .
C169 C170 C171 105.1(9) . .
C165 C170 C171 126.2(10) . .
N19 C171 C170 123.2(8) . .
N19 C171 H171 118.4 . .
C170 C171 H171 118.4 . .
N19 C172 C173 109.6(8) . .
N19 C172 H17A 109.7 . .
C173 C172 H17A 109.7 . .
N19 C172 H17B 109.7 . .
C173 C172 H17B 109.7 . .
H17A C172 H17B 108.2 . .
C172 C173 N20 108.2(8) . .
C172 C173 H17C 110.1 . .
N20 C173 H17C 110.1 . .
C172 C173 H17D 110.1 . .
N20 C173 H17D 110.1 . .
H17C C173 H17D 108.4 . .
N20 C174 C175 126.7(8) . .
N20 C174 H174 116.6 . .
C175 C174 H174 116.6 . .
C176 C175 C180 119.7(9) . .
C176 C175 C174 121.1(8) . .
C180 C175 C174 118.9(8) . .
C175 C176 C177 125.5(8) . .
C175 C176 H176 117.2 . .
C177 C176 H176 117.2 . .
C176 C177 C178 113.7(9) . .
C176 C177 H177 123.2 . .
C178 C177 H177 123.2 . .
C179 C178 C177 120.1(9) . .
C179 C178 H178 119.9 . .
C177 C178 H178 119.9 . .
C178 C179 C180 123.1(8) . .
C178 C179 H179 118.4 . .
C180 C179 H179 118.4 . .
O16 C180 C175 127.3(8) . .
O16 C180 C179 115.0(7) . .
C175 C180 C179 117.6(8) . .
N21 C181 Ru4 160.9(6) . 1_556
N22 C182 Ru3 176.4(6) . .
N23 C183 Ru3 173.0(6) . .
N24 C184 Ru4 167.5(7) . .
O1 Mn1 N2 152.5(2) . .
O1 Mn1 O2 96.89(19) . .
N2 Mn1 O2 91.8(2) . .
O1 Mn1 N1 88.0(2) . .
N2 Mn1 N1 83.3(2) . .
O2 Mn1 N1 175.0(2) . .
O1 Mn1 N9 115.5(2) . .
N2 Mn1 N9 90.1(2) . .
O2 Mn1 N9 91.4(2) . .
N1 Mn1 N9 87.5(2) . .
O1 Mn1 N10 68.55(19) . .
N2 Mn1 N10 85.1(2) . .
O2 Mn1 N10 92.9(2) . .
N1 Mn1 N10 87.8(2) . .
N9 Mn1 N10 173.7(2) . .
O5 Mn2 O6 93.12(19) . .
O5 Mn2 N5 89.7(2) . .
O6 Mn2 N5 176.2(2) . .
O5 Mn2 N6 174.5(2) . .
O6 Mn2 N6 92.4(2) . .
N5 Mn2 N6 84.7(2) . .
O5 Mn2 N11 92.2(2) . .
O6 Mn2 N11 88.2(2) . .
N5 Mn2 N11 89.2(2) . .
N6 Mn2 N11 87.6(2) . .
O5 Mn2 N12 94.7(2) . .
O6 Mn2 N12 87.9(2) . .
N5 Mn2 N12 94.4(2) . .
N6 Mn2 N12 86.0(2) . .
N11 Mn2 N12 172.3(2) . .
O14 Mn3 O13 93.71(19) . .
O14 Mn3 N18 94.2(2) . .
O13 Mn3 N18 170.3(2) . .
O14 Mn3 N17 175.0(2) . .
O13 Mn3 N17 91.3(2) . .
N18 Mn3 N17 80.7(2) . .
O14 Mn3 N23 91.8(2) . .
O13 Mn3 N23 95.3(2) . .
N18 Mn3 N23 90.0(3) . .
N17 Mn3 N23 88.1(2) . .
O14 Mn3 N24 89.9(2) . .
O13 Mn3 N24 86.9(2) . .
N18 Mn3 N24 87.5(2) . .
N17 Mn3 N24 90.0(2) . .
N23 Mn3 N24 177.1(2) . .
N14 Mn4 O10 89.5(2) . .
N14 Mn4 O9 178.2(2) . .
O10 Mn4 O9 91.55(19) . .
N14 Mn4 N13 86.2(2) . .
O10 Mn4 N13 172.8(2) . .
O9 Mn4 N13 92.9(2) . .
N14 Mn4 N21 88.0(2) . .
O10 Mn4 N21 97.3(2) . .
O9 Mn4 N21 90.5(2) . .
N13 Mn4 N21 88.3(2) . .
N14 Mn4 N22 87.6(2) . .
O10 Mn4 N22 87.8(2) . .
O9 Mn4 N22 93.9(2) . .
N13 Mn4 N22 86.2(2) . .
N21 Mn4 N22 173.2(2) . .
C7 N1 C8 132.3(4) . .
C7 N1 Mn1 124.4(4) . .
C8 N1 Mn1 102.8(3) . .
C10 N2 C9 131.6(4) . .
C10 N2 Mn1 118.8(3) . .
C9 N2 Mn1 107.4(3) . .
C35 N3 C36 133.7(5) . .
C35 N3 Ru1 117.9(4) . .
C36 N3 Ru1 108.3(3) . .
C38 N4 C37 118.5(4) . .
C38 N4 Ru1 129.3(3) . .
C37 N4 Ru1 111.9(3) . .
C51 N5 C52 122.8(4) . .
C51 N5 Mn2 127.8(3) . .
C52 N5 Mn2 108.7(3) . .
C54 N6 C53 129.3(4) . .
C54 N6 Mn2 118.0(3) . .
C53 N6 Mn2 110.5(3) . .
C79 N7 C80 126.4(4) . .
C79 N7 Ru2 124.1(4) . .
C80 N7 Ru2 109.4(3) . .
C82 N8 C81 115.4(4) . .
C82 N8 Ru2 126.5(3) . .
C81 N8 Ru2 118.0(3) . .
C89 N9 Mn1 171.9(5) . .
C90 N10 Mn1 165.2(4) . .
C91 N11 Mn2 152.8(4) . .
C92 N12 Mn2 149.6(4) . .
C99 N13 C100 125.8(4) . .
C99 N13 Mn4 119.9(3) . .
C100 N13 Mn4 110.2(3) . .
C102 N14 C101 123.6(4) . .
C102 N14 Mn4 128.1(4) . .
C101 N14 Mn4 108.2(3) . .
C127 N15 C128 118.6(6) . .
C127 N15 Ru3 126.3(5) . .
C128 N15 Ru3 114.7(5) . .
C130 N16 C129 132.6(6) . .
C130 N16 Ru3 116.3(5) . .
C129 N16 Ru3 109.3(4) . .
C143 N17 C144 123.5(6) . .
C143 N17 Mn3 123.4(5) . .
C144 N17 Mn3 113.1(4) . .
C146 N18 C145 125.7(6) . .
C146 N18 Mn3 121.4(4) . .
C145 N18 Mn3 112.8(4) . .
C171 N19 C172 126.1(8) . .
C171 N19 Ru4 125.2(6) . .
C172 N19 Ru4 107.1(6) . .
C174 N20 C173 126.4(8) . .
C174 N20 Ru4 131.8(7) . .
C173 N20 Ru4 101.8(5) . .
C181 N21 Mn4 160.5(6) . .
C182 N22 Mn4 152.6(6) . .
C183 N23 Mn3 158.7(6) . .
C184 N24 Mn3 176.2(6) . .
C1 O1 Mn1 127.1(3) . .
C16 O2 Mn1 129.4(3) . .
C29 O3 Ru1 119.0(3) . .
C44 O4 Ru1 125.9(3) . .
C45 O5 Mn2 129.9(3) . .
C60 O6 Mn2 129.1(3) . .
C73 O7 Ru2 120.6(3) . .
C88 O8 Ru2 120.8(3) . .
C93 O9 Mn4 129.8(3) . .
C108 O10 Mn4 130.0(3) . .
C121 O11 Ru3 119.2(4) . .
C136 O12 Ru3 128.0(4) . .
C137 O13 Mn3 127.1(4) . .
C152 O14 Mn3 127.7(4) . .
C165 O15 Ru4 126.3(6) . .
C180 O16 Ru4 128.5(5) . .
N4 Ru1 C90 90.80(17) . .
N4 Ru1 O3 174.9(2) . .
C90 Ru1 O3 93.08(17) . .
N4 Ru1 O4 88.53(19) . .
C90 Ru1 O4 91.62(19) . .
O3 Ru1 O4 94.67(18) . .
N4 Ru1 N3 80.7(2) . .
C90 Ru1 N3 88.42(19) . .
O3 Ru1 N3 96.1(2) . .
O4 Ru1 N3 169.2(2) . .
N4 Ru1 C91 88.66(17) . .
C90 Ru1 C91 176.0(3) . .
O3 Ru1 C91 87.25(16) . .
O4 Ru1 C91 92.30(17) . .
N3 Ru1 C91 87.61(17) . .
N7 Ru2 O8 173.9(2) . .
N7 Ru2 C92 90.9(2) . .
O8 Ru2 C92 85.34(19) . .
N7 Ru2 N8 80.7(2) . .
O8 Ru2 N8 94.7(2) . .
C92 Ru2 N8 92.97(19) . .
N7 Ru2 O7 89.5(2) . .
O8 Ru2 O7 95.44(19) . .
C92 Ru2 O7 92.42(18) . .
N8 Ru2 O7 168.9(2) . .
N7 Ru2 C89 92.64(19) . 1_554
O8 Ru2 C89 90.91(19) . 1_554
C92 Ru2 C89 175.5(3) . 1_554
N8 Ru2 C89 84.8(2) . 1_554
O7 Ru2 C89 90.5(2) . 1_554
N15 Ru3 O12 170.7(2) . .
N15 Ru3 C182 91.1(2) . .
O12 Ru3 C182 90.9(2) . .
N15 Ru3 C183 92.1(2) . .
O12 Ru3 C183 85.8(2) . .
C182 Ru3 C183 176.6(3) . .
N15 Ru3 O11 93.8(2) . .
O12 Ru3 O11 95.21(18) . .
C182 Ru3 O11 91.3(2) . .
C183 Ru3 O11 89.6(2) . .
N15 Ru3 N16 78.5(2) . .
O12 Ru3 N16 92.5(2) . .
C182 Ru3 N16 89.2(2) . .
C183 Ru3 N16 90.4(3) . .
O11 Ru3 N16 172.3(2) . .
C181 Ru4 N19 77.1(3) 1_554 .
C181 Ru4 O15 73.4(3) 1_554 .
N19 Ru4 O15 95.5(3) . .
C181 Ru4 N20 107.2(3) 1_554 .
N19 Ru4 N20 87.1(3) . .
O15 Ru4 N20 177.4(3) . .
C181 Ru4 O16 97.4(3) 1_554 .
N19 Ru4 O16 163.7(3) . .
O15 Ru4 O16 97.6(2) . .
N20 Ru4 O16 79.9(3) . .
C181 Ru4 C184 148.4(3) 1_554 .
N19 Ru4 C184 89.1(3) . .
O15 Ru4 C184 79.9(2) . .
N20 Ru4 C184 100.2(3) . .
O16 Ru4 C184 102.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.345(7) .
C1 C2 1.353(10) .
C1 C6 1.396(10) .
C2 C3 1.411(10) .
C2 H2 0.9300 .
C3 C4 1.350(11) .
C3 H3 0.9300 .
C4 C5 1.369(10) .
C4 H4 0.9300 .
C5 C6 1.422(10) .
C5 H5 0.9300 .
C6 C7 1.391(10) .
C7 N1 1.309(7) .
C7 H7 0.9300 .
C8 N1 1.492(7) .
C8 C17 1.517(10) .
C8 C9 1.533(10) .
C8 H8 0.9800 .
C9 N2 1.488(7) .
C9 C23 1.522(11) .
C9 H9 0.9800 .
C10 N2 1.312(7) .
C10 C11 1.469(10) .
C10 H10 0.9300 .
C11 C16 1.381(9) .
C11 C12 1.438(10) .
C12 C13 1.445(10) .
C12 H12 0.9300 .
C13 C14 1.425(10) .
C13 H13 0.9300 .
C14 C15 1.328(10) .
C14 H14 0.9300 .
C15 C16 1.374(10) .
C15 H15 0.9300 .
C16 O2 1.308(7) .
C17 C22 1.370(11) .
C17 C18 1.391(10) .
C18 C19 1.394(10) .
C18 H18 0.9300 .
C19 C20 1.414(13) .
C19 H19 0.9300 .
C20 C21 1.394(12) .
C20 H20 0.9300 .
C21 C22 1.422(11) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C28 1.388(11) .
C23 C24 1.397(11) .
C24 C25 1.396(11) .
C24 H24 0.9300 .
C25 C26 1.400(13) .
C25 H25 0.9300 .
C26 C27 1.326(12) .
C26 H26 0.9300 .
C27 C28 1.375(10) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 O3 1.329(7) .
C29 C34 1.355(10) .
C29 C30 1.366(10) .
C30 C31 1.379(10) .
C30 H30 0.9300 .
C31 C32 1.385(11) .
C31 H31 0.9300 .
C32 C33 1.351(10) .
C32 H32 0.9300 .
C33 C34 1.434(9) .
C33 H33 0.9300 .
C34 C35 1.428(10) .
C35 N3 1.288(6) .
C35 H35 0.9300 .
C36 N3 1.424(6) .
C36 C37 1.449(9) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 N4 1.519(6) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 N4 1.325(6) .
C38 C39 1.465(9) .
C38 H38 0.9300 .
C39 C40 1.383(8) .
C39 C44 1.387(8) .
C40 C41 1.384(9) .
C40 H40 0.9300 .
C41 C42 1.353(10) .
C41 H41 0.9300 .
C42 C43 1.403(10) .
C42 H42 0.9300 .
C43 C44 1.384(9) .
C43 H43 0.9300 .
C44 O4 1.311(6) .
C45 O5 1.389(7) .
C45 C50 1.393(9) .
C45 C46 1.396(9) .
C46 C47 1.368(10) .
C46 H46 0.9300 .
C47 C48 1.343(10) .
C47 H47 0.9300 .
C48 C49 1.409(9) .
C48 H48 0.9300 .
C49 C50 1.403(10) .
C49 H49 0.9300 .
C50 C51 1.469(10) .
C51 N5 1.267(7) .
C51 H51 0.9300 .
C52 N5 1.470(7) .
C52 C53 1.550(10) .
C52 C61 1.559(10) .
C52 H52 0.9800 .
C53 N6 1.474(6) .
C53 C67 1.583(9) .
C53 H53 0.9800 .
C54 N6 1.282(6) .
C54 C55 1.482(9) .
C54 H54 0.9300 .
C55 C60 1.371(9) .
C55 C56 1.415(9) .
C56 C57 1.382(10) .
C56 H56 0.9300 .
C57 C58 1.393(10) .
C57 H57 0.9300 .
C58 C59 1.370(9) .
C58 H58 0.9300 .
C59 C60 1.447(9) .
C59 H59 0.9300 .
C60 O6 1.319(6) .
C61 C62 1.353(10) .
C61 C66 1.471(11) .
C62 C63 1.410(10) .
C62 H62 0.9300 .
C63 C64 1.384(12) .
C63 H63 0.9300 .
C64 C65 1.373(11) .
C64 H64 0.9300 .
C65 C66 1.401(11) .
C65 H65 0.9300 .
C66 H66 0.9300 .
C67 C72 1.363(9) .
C67 C68 1.398(10) .
C68 C69 1.388(10) .
C68 H68 0.9300 .
C69 C70 1.308(12) .
C69 H69 0.9300 .
C70 C71 1.403(12) .
C70 H70 0.9300 .
C71 C72 1.361(10) .
C71 H71 0.9300 .
C72 H72 0.9300 .
C73 O7 1.292(6) .
C73 C78 1.392(9) .
C73 C74 1.470(10) .
C74 C75 1.413(10) .
C74 H74 0.9300 .
C75 C76 1.383(10) .
C75 H75 0.9300 .
C76 C77 1.346(9) .
C76 H76 0.9300 .
C77 C78 1.419(9) .
C77 H77 0.9300 .
C78 C79 1.415(10) .
C79 N7 1.277(7) .
C79 H79 0.9300 .
C80 C81 1.457(10) .
C80 N7 1.519(6) .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 N8 1.492(6) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 N8 1.341(7) .
C82 C83 1.492(9) .
C82 H82 0.9300 .
C83 C88 1.382(9) .
C83 C84 1.444(10) .
C84 C85 1.351(10) .
C84 H84 0.9300 .
C85 C86 1.408(12) .
C85 H85 0.9300 .
C86 C87 1.324(11) .
C86 H86 0.9300 .
C87 C88 1.347(9) .
C87 H87 0.9300 .
C88 O8 1.352(7) .
C89 N9 1.141(7) .
C89 Ru2 2.067(7) 1_556
C90 N10 1.134(7) .
C90 Ru1 2.022(7) .
C91 N11 1.165(7) .
C91 Ru1 2.139(7) .
C92 N12 1.188(7) .
C92 Ru2 2.020(7) .
C93 O9 1.331(7) .
C93 C94 1.370(10) .
C93 C98 1.410(11) .
C94 C95 1.422(10) .
C94 H94 0.9300 .
C95 C96 1.405(10) .
C95 H95 0.9300 .
C96 C97 1.397(10) .
C96 H96 0.9300 .
C97 C98 1.399(11) .
C97 H97 0.9300 .
C98 C99 1.452(10) .
C99 N13 1.335(7) .
C99 H99 0.9300 .
C100 N13 1.397(7) .
C100 C101 1.544(11) .
C100 C109 1.561(11) .
C100 H100 0.9800 .
C101 N14 1.513(6) .
C101 C115 1.546(10) .
C101 H101 0.9800 .
C102 N14 1.288(7) .
C102 C103 1.452(10) .
C102 H102 0.9300 .
C103 C104 1.399(10) .
C103 C108 1.400(9) .
C104 C105 1.429(10) .
C104 H104 0.9300 .
C105 C106 1.332(10) .
C105 H105 0.9300 .
C106 C107 1.419(10) .
C106 H106 0.9300 .
C107 C108 1.357(9) .
C107 H107 0.9300 .
C108 O10 1.346(7) .
C109 C110 1.333(10) .
C109 C114 1.390(11) .
C110 C111 1.431(11) .
C110 H110 0.9300 .
C111 C112 1.375(12) .
C111 H111 0.9300 .
C112 C113 1.378(12) .
C112 H112 0.9300 .
C113 C114 1.476(11) .
C113 H113 0.9300 .
C114 H114 0.9300 .
C115 C116 1.336(11) .
C115 C120 1.341(12) .
C116 C117 1.309(11) .
C116 H116 0.9300 .
C117 C118 1.356(11) .
C117 H117 0.9300 .
C118 C119 1.374(12) .
C118 H118 0.9300 .
C119 C120 1.380(10) .
C119 H119 0.9300 .
C120 H120 0.9300 .
C121 O11 1.337(8) .
C121 C122 1.364(9) .
C121 C126 1.380(9) .
C122 C123 1.352(10) .
C122 H122 0.9300 .
C123 C124 1.389(10) .
C123 H123 0.9300 .
C124 C125 1.415(9) .
C124 H124 0.9300 .
C125 C126 1.365(9) .
C125 H125 0.9300 .
C126 C127 1.485(9) .
C127 N15 1.326(8) .
C127 H127 0.9300 .
C128 N15 1.403(8) .
C128 C129 1.490(10) .
C128 H12A 0.9700 .
C128 H12B 0.9700 .
C129 N16 1.431(9) .
C129 H12C 0.9700 .
C129 H12D 0.9700 .
C130 N16 1.348(9) .
C130 C131 1.431(10) .
C130 H130 0.9300 .
C131 C132 1.340(10) .
C131 C136 1.492(10) .
C132 C133 1.374(10) .
C132 H132 0.9300 .
C133 C134 1.389(11) .
C133 H133 0.9300 .
C134 C135 1.397(9) .
C134 H134 0.9300 .
C135 C136 1.378(9) .
C135 H135 0.9300 .
C136 O12 1.298(8) .
C137 O13 1.287(8) .
C137 C142 1.392(10) .
C137 C138 1.430(9) .
C138 C139 1.382(9) .
C138 H138 0.9300 .
C139 C140 1.369(9) .
C139 H139 0.9300 .
C140 C141 1.414(9) .
C140 H140 0.9300 .
C141 C142 1.363(10) .
C141 H141 0.9300 .
C142 C143 1.444(9) .
C143 N17 1.343(9) .
C143 H143 0.9300 .
C144 C153 1.486(10) .
C144 N17 1.489(8) .
C144 C145 1.503(10) .
C144 H144 0.9800 .
C145 N18 1.415(9) .
C145 C159 1.509(9) .
C145 H145 0.9800 .
C146 N18 1.350(9) .
C146 C147 1.413(9) .
C146 H146 0.9300 .
C147 C148 1.372(9) .
C147 C152 1.402(8) .
C148 C149 1.409(9) .
C148 H148 0.9300 .
C149 C150 1.381(9) .
C149 H149 0.9300 .
C150 C151 1.399(9) .
C150 H150 0.9300 .
C151 C152 1.379(8) .
C151 H151 0.9300 .
C152 O14 1.377(7) .
C153 C154 1.348(11) .
C153 C158 1.412(11) .
C154 C155 1.380(10) .
C154 H154 0.9300 .
C155 C156 1.364(11) .
C155 H155 0.9300 .
C156 C157 1.395(11) .
C156 H156 0.9300 .
C157 C158 1.454(10) .
C157 H157 0.9300 .
C158 H158 0.9300 .
C159 C160 1.360(10) .
C159 C164 1.385(9) .
C160 C161 1.379(10) .
C160 H160 0.9300 .
C161 C162 1.346(13) .
C161 H161 0.9300 .
C162 C163 1.429(13) .
C162 H162 0.9300 .
C163 C164 1.384(10) .
C163 H163 0.9300 .
C164 H164 0.9300 .
C165 O15 1.306(11) .
C165 C170 1.397(13) .
C165 C166 1.405(13) .
C166 C167 1.390(13) .
C166 H166 0.9300 .
C167 C168 1.372(14) .
C167 H167 0.9300 .
C168 C169 1.492(15) .
C168 H168 0.9300 .
C169 C170 1.319(14) .
C169 H169 0.9300 .
C170 C171 1.513(13) .
C171 N19 1.365(12) .
C171 H171 0.9300 .
C172 N19 1.440(10) .
C172 C173 1.452(12) .
C172 H17A 0.9700 .
C172 H17B 0.9700 .
C173 N20 1.492(11) .
C173 H17C 0.9700 .
C173 H17D 0.9700 .
C174 N20 1.283(11) .
C174 C175 1.507(12) .
C174 H174 0.9300 .
C175 C176 1.365(11) .
C175 C180 1.372(11) .
C176 C177 1.378(12) .
C176 H176 0.9300 .
C177 C178 1.473(13) .
C177 H177 0.9300 .
C178 C179 1.336(12) .
C178 H178 0.9300 .
C179 C180 1.403(12) .
C179 H179 0.9300 .
C180 O16 1.285(9) .
C181 N21 1.193(9) .
C181 Ru4 1.779(8) 1_556
C182 N22 1.159(9) .
C182 Ru3 2.042(7) .
C183 N23 1.139(9) .
C183 Ru3 2.060(7) .
C184 N24 1.127(10) .
C184 Ru4 2.471(9) .
Mn1 O1 1.991(5) .
Mn1 N2 2.013(5) .
Mn1 O2 2.062(5) .
Mn1 N1 2.064(6) .
Mn1 N9 2.268(6) .
Mn1 N10 2.309(6) .
Mn2 O5 1.971(5) .
Mn2 O6 2.013(4) .
Mn2 N5 2.025(5) .
Mn2 N6 2.038(6) .
Mn2 N11 2.251(5) .
Mn2 N12 2.298(6) .
Mn3 O14 1.840(5) .
Mn3 O13 1.906(4) .
Mn3 N18 2.008(6) .
Mn3 N17 2.014(5) .
Mn3 N23 2.333(6) .
Mn3 N24 2.345(7) .
Mn4 N14 1.983(6) .
Mn4 O10 1.987(5) .
Mn4 O9 1.994(5) .
Mn4 N13 2.043(5) .
Mn4 N21 2.230(6) .
Mn4 N22 2.292(6) .
N3 Ru1 2.078(6) .
N4 Ru1 2.016(5) .
N7 Ru2 2.001(6) .
N8 Ru2 2.037(5) .
N15 Ru3 2.025(6) .
N16 Ru3 2.115(6) .
N19 Ru4 1.901(8) .
N20 Ru4 2.089(8) .
O3 Ru1 2.045(4) .
O4 Ru1 2.073(4) .
O7 Ru2 2.061(5) .
O8 Ru2 2.008(4) .
O11 Ru3 2.065(5) .
O12 Ru3 2.034(4) .
O15 Ru4 2.014(6) .
O16 Ru4 2.251(6) .
Ru2 C89 2.067(7) 1_554
Ru4 C181 1.779(8) 1_554
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_4
O1 C1 C2 C3 -177.4(6) . .
C6 C1 C2 C3 -2.5(11) . .
C1 C2 C3 C4 4.3(12) . .
C2 C3 C4 C5 -3.0(13) . .
C3 C4 C5 C6 0.0(12) . .
O1 C1 C6 C7 -10.7(11) . .
C2 C1 C6 C7 174.8(7) . .
O1 C1 C6 C5 174.1(6) . .
C2 C1 C6 C5 -0.4(11) . .
C4 C5 C6 C7 -173.8(7) . .
C4 C5 C6 C1 1.7(11) . .
C1 C6 C7 N1 -0.2(12) . .
C5 C6 C7 N1 175.1(7) . .
N1 C8 C9 N2 -70.8(6) . .
C17 C8 C9 N2 168.0(6) . .
N1 C8 C9 C23 -179.4(6) . .
C17 C8 C9 C23 59.4(9) . .
N2 C10 C11 C16 3.5(13) . .
N2 C10 C11 C12 -171.0(7) . .
C16 C11 C12 C13 3.8(11) . .
C10 C11 C12 C13 178.7(7) . .
C11 C12 C13 C14 -2.5(11) . .
C12 C13 C14 C15 0.4(12) . .
C13 C14 C15 C16 0.3(14) . .
C14 C15 C16 O2 172.6(8) . .
C14 C15 C16 C11 1.1(13) . .
C12 C11 C16 O2 -174.4(6) . .
C10 C11 C16 O2 11.0(11) . .
C12 C11 C16 C15 -3.1(11) . .
C10 C11 C16 C15 -177.7(8) . .
N1 C8 C17 C22 -76.8(9) . .
C9 C8 C17 C22 39.9(10) . .
N1 C8 C17 C18 99.2(9) . .
C9 C8 C17 C18 -144.1(7) . .
C22 C17 C18 C19 -2.3(12) . .
C8 C17 C18 C19 -178.4(8) . .
C17 C18 C19 C20 0.4(13) . .
C18 C19 C20 C21 0.9(12) . .
C19 C20 C21 C22 -0.4(11) . .
C18 C17 C22 C21 2.9(12) . .
C8 C17 C22 C21 179.1(7) . .
C20 C21 C22 C17 -1.6(12) . .
N2 C9 C23 C28 -60.0(8) . .
C8 C9 C23 C28 45.7(10) . .
N2 C9 C23 C24 113.8(7) . .
C8 C9 C23 C24 -140.6(7) . .
C28 C23 C24 C25 -4.2(12) . .
C9 C23 C24 C25 -178.1(7) . .
C23 C24 C25 C26 2.4(12) . .
C24 C25 C26 C27 -0.4(13) . .
C25 C26 C27 C28 0.1(14) . .
C26 C27 C28 C23 -1.9(12) . .
C24 C23 C28 C27 3.9(12) . .
C9 C23 C28 C27 177.4(7) . .
O3 C29 C30 C31 179.2(7) . .
C34 C29 C30 C31 8.7(13) . .
C29 C30 C31 C32 -6.8(13) . .
C30 C31 C32 C33 1.7(12) . .
C31 C32 C33 C34 1.6(12) . .
O3 C29 C34 C35 12.0(13) . .
C30 C29 C34 C35 -179.2(8) . .
O3 C29 C34 C33 -174.0(7) . .
C30 C29 C34 C33 -5.2(12) . .
C32 C33 C34 C29 0.1(12) . .
C32 C33 C34 C35 175.0(7) . .
C29 C34 C35 N3 -4.6(13) . .
C33 C34 C35 N3 -178.8(7) . .
N3 C36 C37 N4 -52.3(6) . .
N4 C38 C39 C40 -177.3(5) . .
N4 C38 C39 C44 17.1(9) . .
C44 C39 C40 C41 -1.5(10) . .
C38 C39 C40 C41 -168.4(6) . .
C39 C40 C41 C42 1.4(12) . .
C40 C41 C42 C43 -1.1(12) . .
C41 C42 C43 C44 1.1(12) . .
C42 C43 C44 O4 175.1(6) . .
C42 C43 C44 C39 -1.2(10) . .
C40 C39 C44 O4 -174.7(5) . .
C38 C39 C44 O4 -10.1(10) . .
C40 C39 C44 C43 1.4(9) . .
C38 C39 C44 C43 166.0(6) . .
O5 C45 C46 C47 -179.9(6) . .
C50 C45 C46 C47 -2.9(11) . .
C45 C46 C47 C48 0.9(11) . .
C46 C47 C48 C49 -2.3(12) . .
C47 C48 C49 C50 5.4(12) . .
O5 C45 C50 C49 -176.9(6) . .
C46 C45 C50 C49 6.2(11) . .
O5 C45 C50 C51 -5.5(11) . .
C46 C45 C50 C51 177.6(7) . .
C48 C49 C50 C45 -7.2(11) . .
C48 C49 C50 C51 -179.4(7) . .
C45 C50 C51 N5 7.2(12) . .
C49 C50 C51 N5 178.9(7) . .
N5 C52 C53 N6 -46.2(7) . .
C61 C52 C53 N6 -175.8(5) . .
N5 C52 C53 C67 -166.6(5) . .
C61 C52 C53 C67 63.8(8) . .
N6 C54 C55 C60 4.9(11) . .
N6 C54 C55 C56 -177.0(6) . .
C60 C55 C56 C57 -0.5(11) . .
C54 C55 C56 C57 -178.6(7) . .
C55 C56 C57 C58 1.1(11) . .
C56 C57 C58 C59 0.4(11) . .
C57 C58 C59 C60 -2.4(10) . .
C56 C55 C60 O6 177.7(6) . .
C54 C55 C60 O6 -4.2(10) . .
C56 C55 C60 C59 -1.4(10) . .
C54 C55 C60 C59 176.7(6) . .
C58 C59 C60 O6 -176.3(5) . .
C58 C59 C60 C55 2.9(9) . .
N5 C52 C61 C62 104.0(8) . .
C53 C52 C61 C62 -128.9(7) . .
N5 C52 C61 C66 -79.7(8) . .
C53 C52 C61 C66 47.4(9) . .
C66 C61 C62 C63 5.4(10) . .
C52 C61 C62 C63 -178.3(6) . .
C61 C62 C63 C64 -4.4(11) . .
C62 C63 C64 C65 3.0(12) . .
C63 C64 C65 C66 -2.7(12) . .
C64 C65 C66 C61 3.4(11) . .
C62 C61 C66 C65 -5.0(10) . .
C52 C61 C66 C65 178.8(6) . .
N6 C53 C67 C72 110.7(7) . .
C52 C53 C67 C72 -131.1(7) . .
N6 C53 C67 C68 -71.6(8) . .
C52 C53 C67 C68 46.5(9) . .
C72 C67 C68 C69 -2.0(10) . .
C53 C67 C68 C69 -179.7(6) . .
C67 C68 C69 C70 -2.2(10) . .
C68 C69 C70 C71 8.5(11) . .
C69 C70 C71 C72 -9.6(11) . .
C70 C71 C72 C67 4.9(11) . .
C68 C67 C72 C71 0.4(11) . .
C53 C67 C72 C71 178.2(7) . .
O7 C73 C74 C75 -178.5(6) . .
C78 C73 C74 C75 -1.4(11) . .
C73 C74 C75 C76 -1.5(11) . .
C74 C75 C76 C77 0.9(12) . .
C75 C76 C77 C78 2.7(12) . .
O7 C73 C78 C79 -6.0(12) . .
C74 C73 C78 C79 177.6(7) . .
O7 C73 C78 C77 -178.9(6) . .
C74 C73 C78 C77 4.7(10) . .
C76 C77 C78 C73 -5.5(11) . .
C76 C77 C78 C79 -178.1(7) . .
C73 C78 C79 N7 16.3(12) . .
C77 C78 C79 N7 -171.4(6) . .
N7 C80 C81 N8 -41.7(6) . .
N8 C82 C83 C88 17.9(12) . .
N8 C82 C83 C84 -171.6(6) . .
C88 C83 C84 C85 5.1(11) . .
C82 C83 C84 C85 -166.8(7) . .
C83 C84 C85 C86 -1.9(12) . .
C84 C85 C86 C87 -3.9(13) . .
C85 C86 C87 C88 6.7(13) . .
C86 C87 C88 O8 177.2(8) . .
C86 C87 C88 C83 -3.5(13) . .
C84 C83 C88 C87 -2.7(11) . .
C82 C83 C88 C87 167.1(8) . .
C84 C83 C88 O8 176.5(6) . .
C82 C83 C88 O8 -13.7(13) . .
O9 C93 C94 C95 174.7(6) . .
C98 C93 C94 C95 -3.5(11) . .
C93 C94 C95 C96 2.0(11) . .
C94 C95 C96 C97 -0.5(11) . .
C95 C96 C97 C98 0.6(12) . .
C96 C97 C98 C93 -2.0(12) . .
C96 C97 C98 C99 -172.8(7) . .
O9 C93 C98 C97 -174.7(7) . .
C94 C93 C98 C97 3.4(12) . .
O9 C93 C98 C99 -4.7(12) . .
C94 C93 C98 C99 173.4(7) . .
C97 C98 C99 N13 -180.0(7) . .
C93 C98 C99 N13 9.6(12) . .
N13 C100 C101 N14 -42.7(7) . .
C109 C100 C101 N14 -158.9(5) . .
N13 C100 C101 C115 -164.3(6) . .
C109 C100 C101 C115 79.5(7) . .
N14 C102 C103 C104 -177.2(6) . .
N14 C102 C103 C108 6.9(12) . .
C108 C103 C104 C105 4.7(10) . .
C102 C103 C104 C105 -171.6(7) . .
C103 C104 C105 C106 -5.8(12) . .
C104 C105 C106 C107 2.7(12) . .
C105 C106 C107 C108 1.3(12) . .
C106 C107 C108 O10 177.0(6) . .
C106 C107 C108 C103 -2.3(11) . .
C104 C103 C108 O10 180.0(6) . .
C102 C103 C108 O10 -4.2(10) . .
C104 C103 C108 C107 -0.8(10) . .
C102 C103 C108 C107 175.0(7) . .
N13 C100 C109 C110 132.1(8) . .
C101 C100 C109 C110 -110.9(8) . .
N13 C100 C109 C114 -46.1(9) . .
C101 C100 C109 C114 70.9(8) . .
C114 C109 C110 C111 -0.1(13) . .
C100 C109 C110 C111 -178.2(8) . .
C109 C110 C111 C112 -0.3(13) . .
C110 C111 C112 C113 -1.1(14) . .
C111 C112 C113 C114 2.8(13) . .
C110 C109 C114 C113 1.8(12) . .
C100 C109 C114 C113 -179.9(7) . .
C112 C113 C114 C109 -3.0(12) . .
N14 C101 C115 C116 -63.7(9) . .
C100 C101 C115 C116 58.9(9) . .
N14 C101 C115 C120 115.0(8) . .
C100 C101 C115 C120 -122.4(8) . .
C120 C115 C116 C117 -9.0(14) . .
C101 C115 C116 C117 169.6(8) . .
C115 C116 C117 C118 18.7(14) . .
C116 C117 C118 C119 -18.7(15) . .
C117 C118 C119 C120 6.8(15) . .
C116 C115 C120 C119 -3.1(14) . .
C101 C115 C120 C119 178.4(8) . .
C118 C119 C120 C115 4.0(14) . .
O11 C121 C122 C123 179.8(7) . .
C126 C121 C122 C123 -4.2(11) . .
C121 C122 C123 C124 -0.2(12) . .
C122 C123 C124 C125 2.0(12) . .
C123 C124 C125 C126 0.5(11) . .
C124 C125 C126 C121 -4.7(10) . .
C124 C125 C126 C127 173.6(6) . .
O11 C121 C126 C125 -178.0(7) . .
C122 C121 C126 C125 6.7(11) . .
O11 C121 C126 C127 4.1(12) . .
C122 C121 C126 C127 -171.2(7) . .
C125 C126 C127 N15 165.8(6) . .
C121 C126 C127 N15 -16.2(11) . .
N15 C128 C129 N16 51.4(8) . .
N16 C130 C131 C132 -175.1(7) . .
N16 C130 C131 C136 0.2(14) . .
C130 C131 C132 C133 175.6(7) . .
C136 C131 C132 C133 -0.4(12) . .
C131 C132 C133 C134 1.4(13) . .
C132 C133 C134 C135 -5.5(12) . .
C133 C134 C135 C136 8.3(12) . .
C134 C135 C136 O12 -175.4(7) . .
C134 C135 C136 C131 -7.4(11) . .
C132 C131 C136 O12 172.0(7) . .
C130 C131 C136 O12 -3.4(12) . .
C132 C131 C136 C135 3.6(11) . .
C130 C131 C136 C135 -171.8(8) . .
O13 C137 C138 C139 -173.2(7) . .
C142 C137 C138 C139 -2.0(10) . .
C137 C138 C139 C140 4.1(11) . .
C138 C139 C140 C141 -4.8(11) . .
C139 C140 C141 C142 3.5(11) . .
C140 C141 C142 C137 -1.5(11) . .
C140 C141 C142 C143 -178.9(6) . .
O13 C137 C142 C141 170.4(8) . .
C138 C137 C142 C141 0.8(11) . .
O13 C137 C142 C143 -12.3(12) . .
C138 C137 C142 C143 178.1(6) . .
C141 C142 C143 N17 -168.9(7) . .
C137 C142 C143 N17 13.6(11) . .
C153 C144 C145 N18 -175.3(7) . .
N17 C144 C145 N18 -44.3(8) . .
C153 C144 C145 C159 48.6(11) . .
N17 C144 C145 C159 179.6(6) . .
N18 C146 C147 C148 -169.5(7) . .
N18 C146 C147 C152 15.7(12) . .
C152 C147 C148 C149 1.5(10) . .
C146 C147 C148 C149 -173.4(6) . .
C147 C148 C149 C150 -2.4(10) . .
C148 C149 C150 C151 2.7(11) . .
C149 C150 C151 C152 -2.2(10) . .
C150 C151 C152 O14 179.8(6) . .
C150 C151 C152 C147 1.4(10) . .
C148 C147 C152 O14 -179.3(6) . .
C146 C147 C152 O14 -4.6(10) . .
C148 C147 C152 C151 -1.0(10) . .
C146 C147 C152 C151 173.7(6) . .
N17 C144 C153 C154 102.8(8) . .
C145 C144 C153 C154 -129.8(9) . .
N17 C144 C153 C158 -71.2(9) . .
C145 C144 C153 C158 56.1(10) . .
C158 C153 C154 C155 -2.4(12) . .
C144 C153 C154 C155 -176.4(7) . .
C153 C154 C155 C156 -0.4(12) . .
C154 C155 C156 C157 -1.0(11) . .
C155 C156 C157 C158 4.9(11) . .
C154 C153 C158 C157 6.5(11) . .
C144 C153 C158 C157 -179.2(6) . .
C156 C157 C158 C153 -7.6(10) . .
N18 C145 C159 C160 104.5(8) . .
C144 C145 C159 C160 -120.0(8) . .
N18 C145 C159 C164 -77.6(8) . .
C144 C145 C159 C164 57.8(8) . .
C164 C159 C160 C161 -0.3(10) . .
C145 C159 C160 C161 177.5(7) . .
C159 C160 C161 C162 0.8(12) . .
C160 C161 C162 C163 0.2(13) . .
C161 C162 C163 C164 -1.6(11) . .
C162 C163 C164 C159 2.1(11) . .
C160 C159 C164 C163 -1.2(10) . .
C145 C159 C164 C163 -179.2(6) . .
O15 C165 C166 C167 177.8(10) . .
C170 C165 C166 C167 0.8(16) . .
C165 C166 C167 C168 1.8(19) . .
C166 C167 C168 C169 -2.4(19) . .
C167 C168 C169 C170 0.5(17) . .
C168 C169 C170 C165 2(2) . .
C168 C169 C170 C171 -173.8(10) . .
O15 C165 C170 C169 -179.7(12) . .
C166 C165 C170 C169 -3(2) . .
O15 C165 C170 C171 -4.7(19) . .
C166 C165 C170 C171 172.2(10) . .
C169 C170 C171 N19 178.8(11) . .
C165 C170 C171 N19 2.9(18) . .
N19 C172 C173 N20 58.0(10) . .
N20 C174 C175 C176 -175.8(9) . .
N20 C174 C175 C180 9.6(13) . .
C180 C175 C176 C177 2.4(14) . .
C174 C175 C176 C177 -172.2(8) . .
C175 C176 C177 C178 -3.0(13) . .
C176 C177 C178 C179 4.6(13) . .
C177 C178 C179 C180 -5.7(15) . .
C176 C175 C180 O16 173.1(8) . .
C174 C175 C180 O16 -12.2(13) . .
C176 C175 C180 C179 -2.9(13) . .
C174 C175 C180 C179 171.8(8) . .
C178 C179 C180 O16 -171.7(9) . .
C178 C179 C180 C175 4.8(14) . .
C6 C7 N1 C8 -175.7(7) . .
C6 C7 N1 Mn1 -5.9(9) . .
C17 C8 N1 C7 -12.1(9) . .
C9 C8 N1 C7 -134.8(6) . .
C17 C8 N1 Mn1 176.5(5) . .
C9 C8 N1 Mn1 53.8(6) . .
O1 Mn1 N1 C7 14.5(5) . .
N2 Mn1 N1 C7 168.4(5) . .
O2 Mn1 N1 C7 -178(100) . .
N9 Mn1 N1 C7 -101.1(5) . .
N10 Mn1 N1 C7 83.1(5) . .
O1 Mn1 N1 C8 -173.2(3) . .
N2 Mn1 N1 C8 -19.3(3) . .
O2 Mn1 N1 C8 -6(3) . .
N9 Mn1 N1 C8 71.2(3) . .
N10 Mn1 N1 C8 -104.6(3) . .
C11 C10 N2 C9 -165.5(7) . .
C11 C10 N2 Mn1 -4.7(10) . .
C23 C9 N2 C10 -30.9(8) . .
C8 C9 N2 C10 -145.5(6) . .
C23 C9 N2 Mn1 166.8(4) . .
C8 C9 N2 Mn1 52.1(5) . .
O1 Mn1 N2 C10 -112.1(5) . .
O2 Mn1 N2 C10 -3.4(4) . .
N1 Mn1 N2 C10 175.4(4) . .
N9 Mn1 N2 C10 88.0(4) . .
N10 Mn1 N2 C10 -96.2(4) . .
O1 Mn1 N2 C9 52.9(6) . .
O2 Mn1 N2 C9 161.6(3) . .
N1 Mn1 N2 C9 -19.5(3) . .
N9 Mn1 N2 C9 -107.0(3) . .
N10 Mn1 N2 C9 68.9(3) . .
C34 C35 N3 C36 -171.6(6) . .
C34 C35 N3 Ru1 6.0(9) . .
C37 C36 N3 C35 -144.8(6) . .
C37 C36 N3 Ru1 37.4(6) . .
C39 C38 N4 C37 -172.9(5) . .
C39 C38 N4 Ru1 0.2(7) . .
C36 C37 N4 C38 -142.6(5) . .
C36 C37 N4 Ru1 43.1(5) . .
C50 C51 N5 C52 -175.6(7) . .
C50 C51 N5 Mn2 -6.2(10) . .
C53 C52 N5 C51 -158.6(6) . .
C61 C52 N5 C51 -35.3(9) . .
C53 C52 N5 Mn2 30.3(7) . .
C61 C52 N5 Mn2 153.6(5) . .
O5 Mn2 N5 C51 3.4(5) . .
O6 Mn2 N5 C51 -135(3) . .
N6 Mn2 N5 C51 -176.4(5) . .
N11 Mn2 N5 C51 -88.8(5) . .
N12 Mn2 N5 C51 98.1(5) . .
O5 Mn2 N5 C52 174.0(4) . .
O6 Mn2 N5 C52 35(4) . .
N6 Mn2 N5 C52 -5.8(4) . .
N11 Mn2 N5 C52 81.8(4) . .
N12 Mn2 N5 C52 -91.3(4) . .
C55 C54 N6 C53 -162.2(7) . .
C55 C54 N6 Mn2 -0.9(8) . .
C52 C53 N6 C54 -158.4(5) . .
C67 C53 N6 C54 -34.1(7) . .
C52 C53 N6 Mn2 39.2(6) . .
C67 C53 N6 Mn2 163.5(4) . .
O5 Mn2 N6 C54 173(2) . .
O6 Mn2 N6 C54 -2.3(4) . .
N5 Mn2 N6 C54 175.2(4) . .
N11 Mn2 N6 C54 85.8(4) . .
N12 Mn2 N6 C54 -90.0(4) . .
O5 Mn2 N6 C53 -22(3) . .
O6 Mn2 N6 C53 162.4(3) . .
N5 Mn2 N6 C53 -20.1(3) . .
N11 Mn2 N6 C53 -109.6(3) . .
N12 Mn2 N6 C53 74.7(3) . .
C78 C79 N7 C80 179.1(7) . .
C78 C79 N7 Ru2 2.4(10) . .
C81 C80 N7 C79 -141.4(6) . .
C81 C80 N7 Ru2 35.7(6) . .
C83 C82 N8 C81 -178.3(6) . .
C83 C82 N8 Ru2 1.1(8) . .
C80 C81 N8 C82 -149.5(5) . .
C80 C81 N8 Ru2 31.1(6) . .
Ru2 C89 N9 Mn1 -24(5) 1_556 .
O1 Mn1 N9 C89 111(3) . .
N2 Mn1 N9 C89 -79(3) . .
O2 Mn1 N9 C89 13(3) . .
N1 Mn1 N9 C89 -162(3) . .
N10 Mn1 N9 C89 -120(3) . .
Ru1 C90 N10 Mn1 -14(7) . .
O1 Mn1 N10 C90 33.3(16) . .
N2 Mn1 N10 C90 -138.9(17) . .
O2 Mn1 N10 C90 129.6(17) . .
N1 Mn1 N10 C90 -55.4(17) . .
N9 Mn1 N10 C90 -98(2) . .
Ru1 C91 N11 Mn2 -8(4) . .
O5 Mn2 N11 C91 -47.0(8) . .
O6 Mn2 N11 C91 -140.0(8) . .
N5 Mn2 N11 C91 42.7(8) . .
N6 Mn2 N11 C91 127.5(8) . .
N12 Mn2 N11 C91 160.5(12) . .
Ru2 C92 N12 Mn2 -99(20) . .
O5 Mn2 N12 C92 -141.1(8) . .
O6 Mn2 N12 C92 -48.2(8) . .
N5 Mn2 N12 C92 128.8(8) . .
N6 Mn2 N12 C92 44.4(8) . .
N11 Mn2 N12 C92 11(2) . .
C98 C99 N13 C100 -164.9(7) . .
C98 C99 N13 Mn4 -10.1(8) . .
C101 C100 N13 C99 -169.3(5) . .
C109 C100 N13 C99 -56.8(8) . .
C101 C100 N13 Mn4 33.9(6) . .
C109 C100 N13 Mn4 146.4(5) . .
N14 Mn4 N13 C99 -172.9(4) . .
O10 Mn4 N13 C99 133.6(15) . .
O9 Mn4 N13 C99 5.6(4) . .
N21 Mn4 N13 C99 -84.8(4) . .
N22 Mn4 N13 C99 99.3(4) . .
N14 Mn4 N13 C100 -14.5(4) . .
O10 Mn4 N13 C100 -68.0(17) . .
O9 Mn4 N13 C100 164.0(4) . .
N21 Mn4 N13 C100 73.6(4) . .
N22 Mn4 N13 C100 -102.3(4) . .
C103 C102 N14 C101 -171.6(6) . .
C103 C102 N14 Mn4 3.2(9) . .
C100 C101 N14 C102 -154.9(6) . .
C115 C101 N14 C102 -32.4(8) . .
C100 C101 N14 Mn4 29.3(6) . .
C115 C101 N14 Mn4 151.8(5) . .
O10 Mn4 N14 C102 -10.3(5) . .
O9 Mn4 N14 C102 115(7) . .
N13 Mn4 N14 C102 175.5(5) . .
N21 Mn4 N14 C102 87.0(5) . .
N22 Mn4 N14 C102 -98.1(5) . .
O10 Mn4 N14 C101 165.1(4) . .
O9 Mn4 N14 C101 -69(7) . .
N13 Mn4 N14 C101 -9.0(3) . .
N21 Mn4 N14 C101 -97.5(4) . .
N22 Mn4 N14 C101 77.3(3) . .
C126 C127 N15 C128 174.8(6) . .
C126 C127 N15 Ru3 2.3(9) . .
C129 C128 N15 C127 142.7(7) . .
C129 C128 N15 Ru3 -44.0(7) . .
C131 C130 N16 C129 -178.6(8) . .
C131 C130 N16 Ru3 -15.5(10) . .
C128 C129 N16 C130 128.2(8) . .
C128 C129 N16 Ru3 -35.7(8) . .
C142 C143 N17 C144 -176.1(7) . .
C142 C143 N17 Mn3 1.8(10) . .
C153 C144 N17 C143 -2.9(10) . .
C145 C144 N17 C143 -142.2(7) . .
C153 C144 N17 Mn3 179.0(5) . .
C145 C144 N17 Mn3 39.7(7) . .
O14 Mn3 N17 C143 162(2) . .
O13 Mn3 N17 C143 -13.5(6) . .
N18 Mn3 N17 C143 160.9(6) . .
N23 Mn3 N17 C143 -108.8(6) . .
N24 Mn3 N17 C143 73.4(6) . .
O14 Mn3 N17 C144 -20(3) . .
O13 Mn3 N17 C144 164.6(5) . .
N18 Mn3 N17 C144 -21.0(5) . .
N23 Mn3 N17 C144 69.3(5) . .
N24 Mn3 N17 C144 -108.5(5) . .
C147 C146 N18 C145 171.7(7) . .
C147 C146 N18 Mn3 -9.3(11) . .
C144 C145 N18 C146 -150.9(7) . .
C159 C145 N18 C146 -13.6(11) . .
C144 C145 N18 Mn3 30.1(8) . .
C159 C145 N18 Mn3 167.4(5) . .
O14 Mn3 N18 C146 -4.0(6) . .
O13 Mn3 N18 C146 -148.4(12) . .
N17 Mn3 N18 C146 175.9(6) . .
N23 Mn3 N18 C146 87.8(6) . .
N24 Mn3 N18 C146 -93.7(6) . .
O14 Mn3 N18 C145 175.1(5) . .
O13 Mn3 N18 C145 30.6(17) . .
N17 Mn3 N18 C145 -5.0(5) . .
N23 Mn3 N18 C145 -93.1(5) . .
N24 Mn3 N18 C145 85.4(5) . .
C170 C171 N19 C172 160.6(10) . .
C170 C171 N19 Ru4 -2.9(15) . .
C173 C172 N19 C171 148.8(10) . .
C173 C172 N19 Ru4 -45.3(9) . .
C175 C174 N20 C173 160.0(8) . .
C175 C174 N20 Ru4 -22.6(14) . .
C172 C173 N20 C174 139.4(9) . .
C172 C173 N20 Ru4 -38.5(7) . .
Ru4 C181 N21 Mn4 58(3) 1_556 .
N14 Mn4 N21 C181 143.0(17) . .
O10 Mn4 N21 C181 -127.8(17) . .
O9 Mn4 N21 C181 -36.1(17) . .
N13 Mn4 N21 C181 56.8(17) . .
N22 Mn4 N21 C181 94(2) . .
Ru3 C182 N22 Mn4 124(9) . .
N14 Mn4 N22 C182 65.5(12) . .
O10 Mn4 N22 C182 -24.0(12) . .
O9 Mn4 N22 C182 -115.4(12) . .
N13 Mn4 N22 C182 151.9(12) . .
N21 Mn4 N22 C182 115(2) . .
Ru3 C183 N23 Mn3 -25(6) . .
O14 Mn3 N23 C183 46.9(15) . .
O13 Mn3 N23 C183 140.8(15) . .
N18 Mn3 N23 C183 -47.3(15) . .
N17 Mn3 N23 C183 -128.0(15) . .
N24 Mn3 N23 C183 -79(5) . .
Ru4 C184 N24 Mn3 -63(10) . .
O14 Mn3 N24 C184 170(9) . .
O13 Mn3 N24 C184 76(9) . .
N18 Mn3 N24 C184 -96(9) . .
N17 Mn3 N24 C184 -15(9) . .
N23 Mn3 N24 C184 -64(11) . .
C2 C1 O1 Mn1 -157.6(4) . .
C6 C1 O1 Mn1 27.6(9) . .
N2 Mn1 O1 C1 -96.6(5) . .
O2 Mn1 O1 C1 155.9(4) . .
N1 Mn1 O1 C1 -25.3(4) . .
N9 Mn1 O1 C1 61.0(4) . .
N10 Mn1 O1 C1 -113.7(4) . .
C15 C16 O2 Mn1 165.9(5) . .
C11 C16 O2 Mn1 -22.5(8) . .
O1 Mn1 O2 C16 171.5(4) . .
N2 Mn1 O2 C16 17.6(5) . .
N1 Mn1 O2 C16 5(3) . .
N9 Mn1 O2 C16 -72.6(4) . .
N10 Mn1 O2 C16 102.8(4) . .
C34 C29 O3 Ru1 -18.5(9) . .
C30 C29 O3 Ru1 171.7(5) . .
C43 C44 O4 Ru1 171.1(4) . .
C39 C44 O4 Ru1 -12.9(8) . .
C50 C45 O5 Mn2 3.6(8) . .
C46 C45 O5 Mn2 -179.4(4) . .
O6 Mn2 O5 C45 175.4(4) . .
N5 Mn2 O5 C45 -2.1(4) . .
N6 Mn2 O5 C45 0(3) . .
N11 Mn2 O5 C45 87.1(4) . .
N12 Mn2 O5 C45 -96.5(4) . .
C55 C60 O6 Mn2 0.1(8) . .
C59 C60 O6 Mn2 179.3(3) . .
O5 Mn2 O6 C60 -176.7(4) . .
N5 Mn2 O6 C60 -38(4) . .
N6 Mn2 O6 C60 2.9(4) . .
N11 Mn2 O6 C60 -84.6(4) . .
N12 Mn2 O6 C60 88.7(4) . .
C78 C73 O7 Ru2 -19.3(9) . .
C74 C73 O7 Ru2 157.4(4) . .
C87 C88 O8 Ru2 170.2(5) . .
C83 C88 O8 Ru2 -9.1(8) . .
C94 C93 O9 Mn4 -175.8(4) . .
C98 C93 O9 Mn4 2.3(10) . .
N14 Mn4 O9 C93 58(7) . .
O10 Mn4 O9 C93 -176.7(5) . .
N13 Mn4 O9 C93 -2.4(5) . .
N21 Mn4 O9 C93 85.9(5) . .
N22 Mn4 O9 C93 -88.8(5) . .
C107 C108 O10 Mn4 172.4(4) . .
C103 C108 O10 Mn4 -8.4(8) . .
N14 Mn4 O10 C108 13.2(4) . .
O9 Mn4 O10 C108 -165.4(4) . .
N13 Mn4 O10 C108 66.6(18) . .
N21 Mn4 O10 C108 -74.7(4) . .
N22 Mn4 O10 C108 100.8(4) . .
C122 C121 O11 Ru3 -166.0(5) . .
C126 C121 O11 Ru3 18.3(9) . .
C135 C136 O12 Ru3 -166.5(5) . .
C131 C136 O12 Ru3 24.8(9) . .
C142 C137 O13 Mn3 -5.5(11) . .
C138 C137 O13 Mn3 164.1(5) . .
O14 Mn3 O13 C137 -164.0(6) . .
N18 Mn3 O13 C137 -19.5(16) . .
N17 Mn3 O13 C137 15.6(6) . .
N23 Mn3 O13 C137 103.9(6) . .
N24 Mn3 O13 C137 -74.3(6) . .
C151 C152 O14 Mn3 169.9(4) . .
C147 C152 O14 Mn3 -11.7(9) . .
O13 Mn3 O14 C152 -171.8(5) . .
N18 Mn3 O14 C152 13.9(6) . .
N17 Mn3 O14 C152 13(3) . .
N23 Mn3 O14 C152 -76.3(5) . .
N24 Mn3 O14 C152 101.4(5) . .
C170 C165 O15 Ru4 6.3(16) . .
C166 C165 O15 Ru4 -170.6(7) . .
C175 C180 O16 Ru4 25.6(13) . .
C179 C180 O16 Ru4 -158.3(6) . .
C38 N4 Ru1 C90 -105.9(4) . .
C37 N4 Ru1 C90 67.6(3) . .
C38 N4 Ru1 O3 115(2) . .
C37 N4 Ru1 O3 -72(2) . .
C38 N4 Ru1 O4 -14.3(4) . .
C37 N4 Ru1 O4 159.1(3) . .
C38 N4 Ru1 N3 165.9(5) . .
C37 N4 Ru1 N3 -20.7(3) . .
C38 N4 Ru1 C91 78.1(4) . .
C37 N4 Ru1 C91 -108.5(3) . .
N10 C90 Ru1 N4 -49(6) . .
N10 C90 Ru1 O3 128(6) . .
N10 C90 Ru1 O4 -138(6) . .
N10 C90 Ru1 N3 31(6) . .
N10 C90 Ru1 C91 33(9) . .
C29 O3 Ru1 N4 66(2) . .
C29 O3 Ru1 C90 -73.4(4) . .
C29 O3 Ru1 O4 -165.2(4) . .
C29 O3 Ru1 N3 15.4(4) . .
C29 O3 Ru1 C91 102.7(4) . .
C44 O4 Ru1 N4 20.7(4) . .
C44 O4 Ru1 C90 111.5(4) . .
C44 O4 Ru1 O3 -155.3(4) . .
C44 O4 Ru1 N3 21.4(15) . .
C44 O4 Ru1 C91 -67.9(4) . .
C35 N3 Ru1 N4 174.2(5) . .
C36 N3 Ru1 N4 -7.5(3) . .
C35 N3 Ru1 C90 83.2(4) . .
C36 N3 Ru1 C90 -98.6(4) . .
C35 N3 Ru1 O3 -9.8(4) . .
C36 N3 Ru1 O3 168.5(3) . .
C35 N3 Ru1 O4 173.5(10) . .
C36 N3 Ru1 O4 -8.3(15) . .
C35 N3 Ru1 C91 -96.7(4) . .
C36 N3 Ru1 C91 81.5(4) . .
N11 C91 Ru1 N4 102(4) . .
N11 C91 Ru1 C90 20(6) . .
N11 C91 Ru1 O3 -75(4) . .
N11 C91 Ru1 O4 -170(3) . .
N11 C91 Ru1 N3 21(3) . .
C79 N7 Ru2 O8 124(2) . .
C80 N7 Ru2 O8 -53(2) . .
C79 N7 Ru2 C92 72.7(4) . .
C80 N7 Ru2 C92 -104.5(4) . .
C79 N7 Ru2 N8 165.6(5) . .
C80 N7 Ru2 N8 -11.6(3) . .
C79 N7 Ru2 O7 -19.7(5) . .
C80 N7 Ru2 O7 163.1(3) . .
C79 N7 Ru2 C89 -110.2(5) . 1_554
C80 N7 Ru2 C89 72.6(4) . 1_554
C88 O8 Ru2 N7 59(2) . .
C88 O8 Ru2 C92 111.3(4) . .
C88 O8 Ru2 N8 18.7(4) . .
C88 O8 Ru2 O7 -156.7(4) . .
C88 O8 Ru2 C89 -66.2(4) . 1_554
N12 C92 Ru2 N7 -180(100) . .
N12 C92 Ru2 O8 5(20) . .
N12 C92 Ru2 N8 100(20) . .
N12 C92 Ru2 O7 -90(20) . .
N12 C92 Ru2 C89 39(22) . 1_554
C82 N8 Ru2 N7 168.9(5) . .
C81 N8 Ru2 N7 -11.7(4) . .
C82 N8 Ru2 O8 -15.1(5) . .
C81 N8 Ru2 O8 164.3(4) . .
C82 N8 Ru2 C92 -100.7(4) . .
C81 N8 Ru2 C92 78.7(4) . .
C82 N8 Ru2 O7 140.5(9) . .
C81 N8 Ru2 O7 -40.2(13) . .
C82 N8 Ru2 C89 75.4(4) . 1_554
C81 N8 Ru2 C89 -105.2(4) . 1_554
C73 O7 Ru2 N7 26.9(4) . .
C73 O7 Ru2 O8 -149.5(4) . .
C73 O7 Ru2 C92 -63.9(4) . .
C73 O7 Ru2 N8 55.0(13) . .
C73 O7 Ru2 C89 119.6(4) . 1_554
C127 N15 Ru3 O12 -153.6(12) . .
C128 N15 Ru3 O12 33.7(17) . .
C127 N15 Ru3 C182 104.4(6) . .
C128 N15 Ru3 C182 -68.3(5) . .
C127 N15 Ru3 C183 -76.7(6) . .
C128 N15 Ru3 C183 110.6(5) . .
C127 N15 Ru3 O11 13.0(6) . .
C128 N15 Ru3 O11 -159.7(4) . .
C127 N15 Ru3 N16 -166.7(6) . .
C128 N15 Ru3 N16 20.6(4) . .
C136 O12 Ru3 N15 -45.1(17) . .
C136 O12 Ru3 C182 56.9(6) . .
C136 O12 Ru3 C183 -122.5(6) . .
C136 O12 Ru3 O11 148.3(6) . .
C136 O12 Ru3 N16 -32.3(6) . .
N22 C182 Ru3 N15 -46(10) . .
N22 C182 Ru3 O12 143(10) . .
N22 C182 Ru3 C183 152(8) . .
N22 C182 Ru3 O11 47(10) . .
N22 C182 Ru3 N16 -125(10) . .
N23 C183 Ru3 N15 -52(5) . .
N23 C183 Ru3 O12 119(5) . .
N23 C183 Ru3 C182 109(6) . .
N23 C183 Ru3 O11 -146(5) . .
N23 C183 Ru3 N16 27(5) . .
C121 O11 Ru3 N15 -22.5(5) . .
C121 O11 Ru3 O12 155.3(5) . .
C121 O11 Ru3 C182 -113.7(5) . .
C121 O11 Ru3 C183 69.6(5) . .
C121 O11 Ru3 N16 -20.2(19) . .
C130 N16 Ru3 N15 -157.7(6) . .
C129 N16 Ru3 N15 9.2(5) . .
C130 N16 Ru3 O12 24.4(5) . .
C129 N16 Ru3 O12 -168.7(5) . .
C130 N16 Ru3 C182 -66.4(5) . .
C129 N16 Ru3 C182 100.4(5) . .
C130 N16 Ru3 C183 110.3(5) . .
C129 N16 Ru3 C183 -82.9(5) . .
C130 N16 Ru3 O11 -160.0(14) . .
C129 N16 Ru3 O11 6.8(19) . .
C171 N19 Ru4 C181 -68.2(9) . 1_554
C172 N19 Ru4 C181 125.7(7) . 1_554
C171 N19 Ru4 O15 3.3(9) . .
C172 N19 Ru4 O15 -162.7(6) . .
C171 N19 Ru4 N20 -176.7(9) . .
C172 N19 Ru4 N20 17.3(6) . .
C171 N19 Ru4 O16 -139.9(10) . .
C172 N19 Ru4 O16 54.1(14) . .
C171 N19 Ru4 C184 83.1(9) . .
C172 N19 Ru4 C184 -83.0(6) . .
C165 O15 Ru4 C181 69.6(8) . 1_554
C165 O15 Ru4 N19 -5.1(8) . .
C165 O15 Ru4 N20 175(82) . .
C165 O15 Ru4 O16 165.1(8) . .
C165 O15 Ru4 C184 -93.2(8) . .
C174 N20 Ru4 C181 118.4(8) . 1_554
C173 N20 Ru4 C181 -63.7(6) . 1_554
C174 N20 Ru4 N19 -166.1(9) . .
C173 N20 Ru4 N19 11.8(6) . .
C174 N20 Ru4 O15 14(7) . .
C173 N20 Ru4 O15 -168(6) . .
C174 N20 Ru4 O16 23.8(8) . .
C173 N20 Ru4 O16 -158.4(5) . .
C174 N20 Ru4 C184 -77.5(8) . .
C173 N20 Ru4 C184 100.3(5) . .
C180 O16 Ru4 C181 -131.2(7) . 1_554
C180 O16 Ru4 N19 -62.4(13) . .
C180 O16 Ru4 O15 154.6(7) . .
C180 O16 Ru4 N20 -25.0(7) . .
C180 O16 Ru4 C184 73.3(7) . .
N24 C184 Ru4 C181 82(3) . 1_554
N24 C184 Ru4 N19 19(3) . .
N24 C184 Ru4 O15 115(3) . .
N24 C184 Ru4 N20 -68(3) . .
N24 C184 Ru4 O16 -150(3) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.095 0.215 0.437 1516 174 ' '
2 0.355 0.505 0.154 12 1 ' '
