#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:18:00 +0100 (vie 25 de mar de 2016) $
#$Revision: 180033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/27/7032736.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_7032736
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_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                100.669(2)
_cell_angle_beta                 104.517(3)
_cell_angle_gamma                106.257(2)
_cell_formula_units_Z            2
_cell_length_a                   13.3357(16)
_cell_length_b                   20.7715(14)
_cell_length_c                   21.0323(14)
_cell_measurement_reflns_used    5032
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      24.37
_cell_measurement_theta_min      2.12
_cell_volume                     5206.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0846
_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       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37127
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    0.573
_exptl_absorpt_correction_T_max  0.8843
_exptl_absorpt_correction_T_min  0.8560
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.139
_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         0.698
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2089
_refine_ls_number_reflns         28163
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0562
_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)+(0.0808P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1397
_refine_ls_wR_factor_ref         0.1403
_reflns_number_gt                21528
_reflns_number_total             28163
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02518k2.cif
_cod_data_source_block           ss
_cod_depositor_comments
'Adding full bibliography for 7032733--7032736.cif.'
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7032736
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 0.0504(7) 0.3928(3) 0.1411(4) 0.0537(19) Uani 1 1 d .
C2 C -0.0411(5) 0.3363(3) 0.1324(3) 0.0430(15) Uani 1 1 d .
H2 H -0.0389 0.2916 0.1187 0.052 Uiso 1 1 calc R
C3 C -0.1343(6) 0.3434(3) 0.1433(4) 0.0455(16) Uani 1 1 d .
H3 H -0.1958 0.3042 0.1346 0.055 Uiso 1 1 calc R
C4 C -0.1369(6) 0.4103(4) 0.1675(4) 0.058(2) Uani 1 1 d .
H4 H -0.1985 0.4157 0.1778 0.070 Uiso 1 1 calc R
C5 C -0.0459(6) 0.4695(3) 0.1763(5) 0.056(2) Uani 1 1 d .
H5 H -0.0490 0.5139 0.1900 0.067 Uiso 1 1 calc R
C6 C 0.0500(5) 0.4615(3) 0.1644(4) 0.0413(15) Uani 1 1 d .
C7 C 0.1352(5) 0.5212(3) 0.1651(4) 0.0421(15) Uani 1 1 d .
H7 H 0.1230 0.5631 0.1765 0.050 Uiso 1 1 calc R
C8 C 0.3193(6) 0.5874(3) 0.1498(4) 0.0480(17) Uani 1 1 d .
H8 H 0.3163 0.5836 0.1022 0.058 Uiso 1 1 calc R
C9 C 0.4236(6) 0.5782(3) 0.1881(4) 0.0477(17) Uani 1 1 d .
H9 H 0.4220 0.5700 0.2323 0.057 Uiso 1 1 calc R
C10 C 0.5016(5) 0.4978(3) 0.1234(4) 0.0417(15) Uani 1 1 d .
H10 H 0.5697 0.5335 0.1397 0.050 Uiso 1 1 calc R
C11 C 0.5042(6) 0.4313(3) 0.0836(4) 0.0500(18) Uani 1 1 d .
C12 C 0.6024(6) 0.4311(3) 0.0691(4) 0.0442(16) Uani 1 1 d .
H12 H 0.6648 0.4711 0.0864 0.053 Uiso 1 1 calc R
C13 C 0.6050(6) 0.3705(3) 0.0286(4) 0.0491(17) Uani 1 1 d .
H13 H 0.6690 0.3703 0.0186 0.059 Uiso 1 1 calc R
C14 C 0.5112(6) 0.3100(4) 0.0032(4) 0.0512(17) Uani 1 1 d .
H14 H 0.5126 0.2697 -0.0240 0.061 Uiso 1 1 calc R
C15 C 0.4169(6) 0.3107(4) 0.0187(4) 0.0500(17) Uani 1 1 d .
H15 H 0.3552 0.2702 0.0022 0.060 Uiso 1 1 calc R
C16 C 0.4121(5) 0.3706(3) 0.0587(4) 0.0424(16) Uani 1 1 d .
C17 C 0.3105(6) 0.6571(4) 0.1805(4) 0.0479(17) Uani 1 1 d .
C18 C 0.2643(6) 0.6938(4) 0.1398(5) 0.0546(19) Uani 1 1 d .
H18 H 0.2410 0.6771 0.0925 0.065 Uiso 1 1 calc R
C19 C 0.2531(6) 0.7548(4) 0.1697(4) 0.0550(19) Uani 1 1 d .
H19 H 0.2223 0.7794 0.1424 0.066 Uiso 1 1 calc R
C20 C 0.2878(5) 0.7807(3) 0.2414(4) 0.0494(17) Uani 1 1 d .
H20 H 0.2802 0.8222 0.2615 0.059 Uiso 1 1 calc R
C21 C 0.3337(5) 0.7436(4) 0.2820(4) 0.0507(17) Uani 1 1 d .
H21 H 0.3569 0.7600 0.3294 0.061 Uiso 1 1 calc R
C22 C 0.3444(6) 0.6819(3) 0.2510(4) 0.0496(17) Uani 1 1 d .
H22 H 0.3747 0.6569 0.2779 0.059 Uiso 1 1 calc R
C23 C 0.5318(6) 0.6362(4) 0.1946(4) 0.0485(18) Uani 1 1 d .
C24 C 0.6172(6) 0.6604(3) 0.2544(4) 0.0512(17) Uani 1 1 d .
H24 H 0.6101 0.6430 0.2914 0.061 Uiso 1 1 calc R
C25 C 0.7168(7) 0.7121(4) 0.2598(4) 0.058(2) Uani 1 1 d .
H25 H 0.7747 0.7303 0.3009 0.070 Uiso 1 1 calc R
C26 C 0.7267(6) 0.7353(3) 0.2026(4) 0.0544(19) Uani 1 1 d .
H26 H 0.7912 0.7695 0.2054 0.065 Uiso 1 1 calc R
C27 C 0.6427(6) 0.7080(4) 0.1438(4) 0.0519(17) Uani 1 1 d .
H27 H 0.6507 0.7232 0.1059 0.062 Uiso 1 1 calc R
C28 C 0.5449(5) 0.6582(3) 0.1375(4) 0.0468(16) Uani 1 1 d .
H28 H 0.4886 0.6394 0.0958 0.056 Uiso 1 1 calc R
C29 C 0.4157(6) 0.5699(4) 0.4197(4) 0.0479(17) Uani 1 1 d .
C30 C 0.5074(7) 0.6316(3) 0.4479(4) 0.0547(19) Uani 1 1 d .
H30 H 0.5779 0.6302 0.4650 0.066 Uiso 1 1 calc R
C31 C 0.4906(6) 0.6955(4) 0.4496(4) 0.0490(17) Uani 1 1 d .
H31 H 0.5508 0.7367 0.4640 0.059 Uiso 1 1 calc R
C32 C 0.3853(6) 0.6975(4) 0.4300(4) 0.0511(18) Uani 1 1 d .
H32 H 0.3754 0.7404 0.4328 0.061 Uiso 1 1 calc R
C33 C 0.2938(6) 0.6372(3) 0.4063(4) 0.0462(16) Uani 1 1 d .
H33 H 0.2231 0.6396 0.3945 0.055 Uiso 1 1 calc R
C34 C 0.3094(6) 0.5712(3) 0.4000(4) 0.0428(16) Uani 1 1 d .
C35 C 0.2069(5) 0.5133(3) 0.3739(4) 0.0463(17) Uani 1 1 d .
H35 H 0.1435 0.5251 0.3676 0.056 Uiso 1 1 calc R
C36 C 0.0937(5) 0.3851(3) 0.3373(4) 0.0441(16) Uani 1 1 d .
H36A H 0.0290 0.3956 0.3160 0.053 Uiso 1 1 calc R
H36B H 0.0843 0.3710 0.3775 0.053 Uiso 1 1 calc R
C37 C 0.1012(5) 0.3269(3) 0.2894(4) 0.0395(15) Uani 1 1 d .
H37A H 0.1042 0.3372 0.2467 0.047 Uiso 1 1 calc R
H37B H 0.0403 0.2840 0.2803 0.047 Uiso 1 1 calc R
C38 C 0.2157(5) 0.2596(3) 0.3263(3) 0.0375(14) Uani 1 1 d .
H38 H 0.1543 0.2196 0.3036 0.045 Uiso 1 1 calc R
C39 C 0.3229(5) 0.2546(3) 0.3592(4) 0.0408(15) Uani 1 1 d .
C40 C 0.3099(5) 0.1839(3) 0.3524(4) 0.0432(15) Uani 1 1 d .
H40 H 0.2397 0.1507 0.3391 0.052 Uiso 1 1 calc R
C41 C 0.4018(5) 0.1640(3) 0.3654(4) 0.0460(15) Uani 1 1 d .
H41 H 0.3934 0.1172 0.3608 0.055 Uiso 1 1 calc R
C42 C 0.5055(6) 0.2129(4) 0.3850(4) 0.0478(17) Uani 1 1 d .
H42 H 0.5667 0.1987 0.3942 0.057 Uiso 1 1 calc R
C43 C 0.5211(6) 0.2836(3) 0.3914(3) 0.0469(16) Uani 1 1 d .
H43 H 0.5917 0.3162 0.4044 0.056 Uiso 1 1 calc R
C44 C 0.4276(5) 0.3045(4) 0.3777(4) 0.0447(16) Uani 1 1 d .
C45 C 0.0219(6) 0.4363(3) 0.4936(4) 0.0452(16) Uani 1 1 d .
C46 C -0.0821(6) 0.4002(3) 0.4502(4) 0.0477(17) Uani 1 1 d .
H46 H -0.1163 0.3537 0.4475 0.057 Uiso 1 1 calc R
C47 C -0.1370(6) 0.4347(3) 0.4096(4) 0.0480(16) Uani 1 1 d .
H47 H -0.2088 0.4110 0.3804 0.058 Uiso 1 1 calc R
C48 C -0.0858(5) 0.5021(3) 0.4127(4) 0.0450(16) Uani 1 1 d .
H48 H -0.1230 0.5236 0.3847 0.054 Uiso 1 1 calc R
C49 C 0.0189(6) 0.5396(3) 0.4560(4) 0.0486(17) Uani 1 1 d .
H49 H 0.0530 0.5855 0.4569 0.058 Uiso 1 1 calc R
C50 C 0.0744(5) 0.5066(3) 0.4995(4) 0.0420(15) Uani 1 1 d .
C51 C 0.1905(6) 0.5510(3) 0.5447(4) 0.0483(18) Uani 1 1 d .
H51 H 0.2189 0.5956 0.5402 0.058 Uiso 1 1 calc R
C52 C 0.3710(6) 0.5755(4) 0.6276(4) 0.0488(17) Uani 1 1 d .
H52 H 0.4150 0.5671 0.5981 0.059 Uiso 1 1 calc R
C53 C 0.4156(5) 0.5548(3) 0.6940(3) 0.0418(15) Uani 1 1 d .
H53 H 0.3803 0.5695 0.7269 0.050 Uiso 1 1 calc R
C54 C 0.4226(5) 0.4381(3) 0.7031(4) 0.0432(16) Uani 1 1 d .
H54 H 0.4934 0.4620 0.7335 0.052 Uiso 1 1 calc R
C55 C 0.3834(5) 0.3608(3) 0.6987(4) 0.0431(16) Uani 1 1 d .
C56 C 0.4566(6) 0.3336(3) 0.7353(4) 0.0433(15) Uani 1 1 d .
H56 H 0.5285 0.3623 0.7606 0.052 Uiso 1 1 calc R
C57 C 0.4219(6) 0.2637(3) 0.7338(4) 0.0476(17) Uani 1 1 d .
H57 H 0.4705 0.2463 0.7591 0.057 Uiso 1 1 calc R
C58 C 0.3165(6) 0.2196(3) 0.6953(3) 0.0435(15) Uani 1 1 d .
H58 H 0.2944 0.1727 0.6944 0.052 Uiso 1 1 calc R
C59 C 0.2425(6) 0.2463(3) 0.6574(3) 0.0437(15) Uani 1 1 d .
H59 H 0.1708 0.2172 0.6321 0.052 Uiso 1 1 calc R
C60 C 0.2767(5) 0.3161(3) 0.6581(4) 0.0432(16) Uani 1 1 d .
C61 C 0.3984(5) 0.6550(3) 0.6520(4) 0.0421(16) Uani 1 1 d .
C62 C 0.4497(5) 0.6972(3) 0.6185(3) 0.0407(14) Uani 1 1 d .
H62 H 0.4700 0.6776 0.5824 0.049 Uiso 1 1 calc R
C63 C 0.4724(6) 0.7699(3) 0.6377(4) 0.0543(19) Uani 1 1 d .
H63 H 0.5030 0.7982 0.6130 0.065 Uiso 1 1 calc R
C64 C 0.4479(6) 0.7977(4) 0.6941(4) 0.0553(19) Uani 1 1 d .
H64 H 0.4670 0.8458 0.7088 0.066 Uiso 1 1 calc R
C65 C 0.3958(6) 0.7571(4) 0.7303(4) 0.0548(19) Uani 1 1 d .
H65 H 0.3783 0.7774 0.7674 0.066 Uiso 1 1 calc R
C66 C 0.3707(8) 0.6849(4) 0.7091(4) 0.063(2) Uani 1 1 d .
H66 H 0.3359 0.6564 0.7321 0.076 Uiso 1 1 calc R
C67 C 0.5450(6) 0.5882(3) 0.7288(4) 0.0444(16) Uani 1 1 d .
C68 C 0.6216(6) 0.5894(3) 0.6937(4) 0.0489(17) Uani 1 1 d .
H68 H 0.5963 0.5702 0.6466 0.059 Uiso 1 1 calc R
C69 C 0.7358(6) 0.6190(3) 0.7278(4) 0.0542(19) Uani 1 1 d .
H69 H 0.7863 0.6190 0.7043 0.065 Uiso 1 1 calc R
C70 C 0.7696(6) 0.6474(3) 0.7963(4) 0.0529(19) Uani 1 1 d .
H70 H 0.8450 0.6659 0.8194 0.064 Uiso 1 1 calc R
C71 C 0.6993(6) 0.6507(4) 0.8337(4) 0.0581(19) Uani 1 1 d .
H71 H 0.7252 0.6724 0.8803 0.070 Uiso 1 1 calc R
C72 C 0.5881(6) 0.6199(3) 0.7981(3) 0.0438(15) Uani 1 1 d .
H72 H 0.5389 0.6206 0.8225 0.053 Uiso 1 1 calc R
C73 C -0.0574(5) 0.4482(3) 0.8028(3) 0.0410(15) Uani 1 1 d .
C74 C -0.1278(6) 0.4871(4) 0.7862(4) 0.0457(16) Uani 1 1 d .
H74 H -0.1023 0.5353 0.8044 0.055 Uiso 1 1 calc R
C75 C -0.2367(6) 0.4519(3) 0.7418(3) 0.0472(16) Uani 1 1 d .
H75 H -0.2842 0.4765 0.7310 0.057 Uiso 1 1 calc R
C76 C -0.2724(6) 0.3803(4) 0.7144(4) 0.0501(17) Uani 1 1 d .
H76 H -0.3436 0.3570 0.6843 0.060 Uiso 1 1 calc R
C77 C -0.2038(6) 0.3437(4) 0.7313(3) 0.0447(16) Uani 1 1 d .
H77 H -0.2306 0.2954 0.7143 0.054 Uiso 1 1 calc R
C78 C -0.0948(6) 0.3770(3) 0.7735(4) 0.0410(15) Uani 1 1 d .
C79 C -0.0237(6) 0.3351(3) 0.7938(3) 0.0449(16) Uani 1 1 d .
H79 H -0.0578 0.2870 0.7835 0.054 Uiso 1 1 calc R
C80 C 0.1540(5) 0.3173(3) 0.8436(4) 0.0449(16) Uani 1 1 d .
H80A H 0.1633 0.3169 0.8908 0.054 Uiso 1 1 calc R
H80B H 0.1153 0.2697 0.8154 0.054 Uiso 1 1 calc R
C81 C 0.2650(6) 0.3415(3) 0.8357(4) 0.0455(17) Uani 1 1 d .
H81A H 0.3152 0.3233 0.8625 0.055 Uiso 1 1 calc R
H81B H 0.2611 0.3279 0.7882 0.055 Uiso 1 1 calc R
C82 C 0.4099(6) 0.4516(3) 0.8934(4) 0.0501(17) Uani 1 1 d .
H82 H 0.4590 0.4272 0.8961 0.060 Uiso 1 1 calc R
C83 C 0.4497(6) 0.5284(3) 0.9232(4) 0.0479(17) Uani 1 1 d .
C84 C 0.5638(6) 0.5550(4) 0.9604(4) 0.0531(19) Uani 1 1 d .
H84 H 0.6009 0.5250 0.9724 0.064 Uiso 1 1 calc R
C85 C 0.6189(6) 0.6256(3) 0.9785(4) 0.0487(17) Uani 1 1 d .
H85 H 0.6936 0.6432 1.0036 0.058 Uiso 1 1 calc R
C86 C 0.5660(6) 0.6713(4) 0.9603(4) 0.054(2) Uani 1 1 d .
H86 H 0.6057 0.7186 0.9709 0.065 Uiso 1 1 calc R
C87 C 0.4562(6) 0.6465(3) 0.9269(4) 0.0458(17) Uani 1 1 d .
H87 H 0.4194 0.6773 0.9173 0.055 Uiso 1 1 calc R
C88 C 0.3984(6) 0.5758(3) 0.9070(4) 0.0411(16) Uani 1 1 d .
C89 C 0.2083(7) 0.4715(4) -0.0440(5) 0.0539(19) Uani 1 1 d .
C90 C 0.3327(6) 0.4300(3) 0.2789(4) 0.0407(16) Uani 1 1 d .
C91 C 0.3154(6) 0.4079(3) 0.4719(4) 0.0421(16) Uani 1 1 d .
C92 C 0.1686(6) 0.4593(4) 0.7536(4) 0.0469(17) Uani 1 1 d .
C93 C 1.1488(6) 0.1730(4) 0.1599(4) 0.0475(17) Uani 1 1 d .
C94 C 1.2414(5) 0.2318(3) 0.1706(3) 0.0418(15) Uani 1 1 d .
H94 H 1.2464 0.2752 0.1954 0.050 Uiso 1 1 calc R
C95 C 1.3268(5) 0.2259(3) 0.1441(4) 0.0454(16) Uani 1 1 d .
H95 H 1.3851 0.2654 0.1483 0.055 Uiso 1 1 calc R
C96 C 1.3221(5) 0.1588(3) 0.1109(4) 0.0451(16) Uani 1 1 d .
H96 H 1.3790 0.1536 0.0948 0.054 Uiso 1 1 calc R
C97 C 1.2319(5) 0.1007(3) 0.1026(4) 0.0433(16) Uani 1 1 d .
H97 H 1.2284 0.0568 0.0798 0.052 Uiso 1 1 calc R
C98 C 1.1485(6) 0.1071(3) 0.1272(4) 0.0494(17) Uani 1 1 d .
C99 C 1.0498(6) 0.0454(4) 0.1100(4) 0.0507(17) Uani 1 1 d .
H99 H 1.0517 0.0071 0.0800 0.061 Uiso 1 1 calc R
C100 C 0.8545(5) -0.0286(3) 0.0928(4) 0.0450(16) Uani 1 1 d .
H100 H 0.8204 -0.0306 0.0451 0.054 Uiso 1 1 calc R
C101 C 0.7769(5) -0.0278(3) 0.1356(4) 0.0476(17) Uani 1 1 d .
H101 H 0.8039 -0.0424 0.1764 0.057 Uiso 1 1 calc R
C102 C 0.6870(6) 0.0551(3) 0.1735(4) 0.0450(16) Uani 1 1 d .
H102 H 0.6246 0.0168 0.1657 0.054 Uiso 1 1 calc R
C103 C 0.6854(6) 0.1240(3) 0.2029(4) 0.0454(16) Uani 1 1 d .
C104 C 0.5874(5) 0.1262(3) 0.2120(4) 0.0455(16) Uani 1 1 d .
H104 H 0.5249 0.0863 0.1939 0.055 Uiso 1 1 calc R
C105 C 0.5811(6) 0.1884(3) 0.2483(4) 0.0478(17) Uani 1 1 d .
H105 H 0.5155 0.1889 0.2559 0.057 Uiso 1 1 calc R
C106 C 0.6717(6) 0.2480(3) 0.2724(4) 0.0462(16) Uani 1 1 d .
H106 H 0.6672 0.2894 0.2952 0.055 Uiso 1 1 calc R
C107 C 0.7722(6) 0.2464(3) 0.2625(4) 0.0469(17) Uani 1 1 d .
H107 H 0.8339 0.2869 0.2783 0.056 Uiso 1 1 calc R
C108 C 0.7778(5) 0.1855(3) 0.2300(3) 0.0405(15) Uani 1 1 d .
C109 C 0.8836(5) -0.0921(3) 0.1008(3) 0.0419(15) Uani 1 1 d .
C110 C 0.8502(6) -0.1503(3) 0.0468(4) 0.0510(18) Uani 1 1 d .
H110 H 0.8083 -0.1501 0.0043 0.061 Uiso 1 1 calc R
C111 C 0.8765(6) -0.2098(4) 0.0531(4) 0.0556(19) Uani 1 1 d .
H111 H 0.8507 -0.2494 0.0163 0.067 Uiso 1 1 calc R
C112 C 0.9430(6) -0.2075(3) 0.1169(4) 0.0531(18) Uani 1 1 d .
H112 H 0.9637 -0.2460 0.1220 0.064 Uiso 1 1 calc R
C113 C 0.9791(6) -0.1502(3) 0.1728(4) 0.0489(17) Uani 1 1 d .
H113 H 1.0232 -0.1499 0.2149 0.059 Uiso 1 1 calc R
C114 C 0.9474(5) -0.0918(3) 0.1643(4) 0.0470(17) Uani 1 1 d .
H114 H 0.9693 -0.0530 0.2015 0.056 Uiso 1 1 calc R
C115 C 0.6594(7) -0.0803(3) 0.0920(4) 0.0493(19) Uani 1 1 d .
C116 C 0.6131(6) -0.0654(4) 0.0365(6) 0.073(3) Uani 1 1 d .
H116 H 0.6544 -0.0306 0.0219 0.088 Uiso 1 1 calc R
C117 C 0.5047(6) -0.1008(4) 0.0001(4) 0.071(2) Uani 1 1 d .
H117 H 0.4667 -0.0858 -0.0343 0.085 Uiso 1 1 calc R
C118 C 0.4531(7) -0.1610(4) 0.0173(5) 0.070(3) Uani 1 1 d .
H118 H 0.3842 -0.1912 -0.0117 0.084 Uiso 1 1 calc R
C119 C 0.5005(8) -0.1763(4) 0.0745(5) 0.080(3) Uani 1 1 d .
H119 H 0.4622 -0.2146 0.0864 0.096 Uiso 1 1 calc R
C120 C 0.6084(6) -0.1340(4) 0.1160(4) 0.066(2) Uani 1 1 d .
H120 H 0.6430 -0.1416 0.1568 0.079 Uiso 1 1 calc R
C121 C 1.2351(6) 0.1022(3) 0.4811(4) 0.0460(17) Uani 1 1 d .
C122 C 1.3084(6) 0.0682(4) 0.4935(4) 0.0505(18) Uani 1 1 d .
H122 H 1.2867 0.0207 0.4731 0.061 Uiso 1 1 calc R
C123 C 1.4142(6) 0.1040(4) 0.5362(4) 0.0538(19) Uani 1 1 d .
H123 H 1.4630 0.0802 0.5464 0.065 Uiso 1 1 calc R
C124 C 1.4499(6) 0.1776(4) 0.5651(4) 0.0486(17) Uani 1 1 d .
H124 H 1.5217 0.2026 0.5936 0.058 Uiso 1 1 calc R
C125 C 1.3738(5) 0.2099(3) 0.5491(4) 0.0470(17) Uani 1 1 d .
H125 H 1.3949 0.2577 0.5682 0.056 Uiso 1 1 calc R
C126 C 1.2670(5) 0.1743(3) 0.5058(4) 0.0431(16) Uani 1 1 d .
C127 C 1.2055(5) 0.2210(4) 0.4900(4) 0.0454(16) Uani 1 1 d .
H127 H 1.2414 0.2688 0.5010 0.054 Uiso 1 1 calc R
C128 C 1.0390(6) 0.2372(3) 0.4407(4) 0.0432(15) Uani 1 1 d .
H12A H 1.0246 0.2344 0.3925 0.052 Uiso 1 1 calc R
H12B H 1.0798 0.2852 0.4671 0.052 Uiso 1 1 calc R
C129 C 0.9358(6) 0.2110(3) 0.4554(4) 0.0479(17) Uani 1 1 d .
H12C H 0.9516 0.2204 0.5045 0.057 Uiso 1 1 calc R
H12D H 0.8877 0.2360 0.4391 0.057 Uiso 1 1 calc R
C130 C 0.7767(5) 0.0988(3) 0.3819(4) 0.0427(16) Uani 1 1 d .
H130 H 0.7289 0.1228 0.3696 0.051 Uiso 1 1 calc R
C131 C 0.7318(6) 0.0227(4) 0.3528(4) 0.0463(16) Uani 1 1 d .
C132 C 0.6212(6) -0.0021(3) 0.3170(4) 0.0483(17) Uani 1 1 d .
H132 H 0.5849 0.0298 0.3118 0.058 Uiso 1 1 calc R
C133 C 0.5604(6) -0.0732(4) 0.2880(4) 0.0514(18) Uani 1 1 d .
H133 H 0.4857 -0.0877 0.2635 0.062 Uiso 1 1 calc R
C134 C 0.6113(5) -0.1213(4) 0.2960(4) 0.0470(17) Uani 1 1 d .
H134 H 0.5710 -0.1684 0.2760 0.056 Uiso 1 1 calc R
C135 C 0.7237(6) -0.1005(3) 0.3338(4) 0.0456(16) Uani 1 1 d .
H135 H 0.7567 -0.1336 0.3414 0.055 Uiso 1 1 calc R
C136 C 0.7855(5) -0.0286(4) 0.3599(4) 0.0435(16) Uani 1 1 d .
C137 C 1.1501(6) 0.1126(3) 0.7830(4) 0.0499(18) Uani 1 1 d .
C138 C 1.2512(6) 0.1519(3) 0.8361(4) 0.0452(16) Uani 1 1 d .
H138 H 1.2877 0.1977 0.8375 0.054 Uiso 1 1 calc R
C139 C 1.2967(5) 0.1231(3) 0.8863(3) 0.0410(15) Uani 1 1 d .
H139 H 1.3644 0.1490 0.9194 0.049 Uiso 1 1 calc R
C140 C 1.2422(5) 0.0569(3) 0.8869(4) 0.0472(16) Uani 1 1 d .
H140 H 1.2714 0.0387 0.9215 0.057 Uiso 1 1 calc R
C141 C 1.1422(6) 0.0164(3) 0.8353(4) 0.0486(17) Uani 1 1 d .
H141 H 1.1066 -0.0292 0.8348 0.058 Uiso 1 1 calc R
C142 C 1.0956(6) 0.0446(3) 0.7845(4) 0.0482(18) Uani 1 1 d .
C143 C 0.9966(6) 0.0001(3) 0.7322(4) 0.0466(17) Uani 1 1 d .
H143 H 0.9753 -0.0471 0.7301 0.056 Uiso 1 1 calc R
C144 C 0.8287(5) -0.0311(3) 0.6299(4) 0.0442(16) Uani 1 1 d .
H144 H 0.8492 -0.0313 0.5883 0.053 Uiso 1 1 calc R
C145 C 0.7510(5) 0.0075(3) 0.6244(4) 0.0417(16) Uani 1 1 d .
H145 H 0.7358 0.0106 0.6679 0.050 Uiso 1 1 calc R
C146 C 0.7465(6) 0.1180(3) 0.5962(4) 0.0468(17) Uani 1 1 d .
H146 H 0.6703 0.0980 0.5768 0.056 Uiso 1 1 calc R
C147 C 0.7975(5) 0.1858(3) 0.5908(3) 0.0355(14) Uani 1 1 d .
C148 C 0.7321(5) 0.2125(3) 0.5487(4) 0.0468(18) Uani 1 1 d .
H148 H 0.6608 0.1844 0.5217 0.056 Uiso 1 1 calc R
C149 C 0.7733(6) 0.2815(3) 0.5470(4) 0.0427(15) Uani 1 1 d .
H149 H 0.7285 0.2994 0.5193 0.051 Uiso 1 1 calc R
C150 C 0.8788(6) 0.3229(3) 0.5854(4) 0.0481(17) Uani 1 1 d .
H150 H 0.9065 0.3684 0.5828 0.058 Uiso 1 1 calc R
C151 C 0.9453(5) 0.2961(3) 0.6291(4) 0.0453(16) Uani 1 1 d .
H151 H 1.0163 0.3245 0.6566 0.054 Uiso 1 1 calc R
C152 C 0.9059(5) 0.2299(3) 0.6308(3) 0.0384(15) Uani 1 1 d .
C153 C 0.8097(7) -0.1053(3) 0.6349(4) 0.0514(19) Uani 1 1 d .
C154 C 0.8358(6) -0.1504(3) 0.5925(4) 0.0529(19) Uani 1 1 d .
H154 H 0.8664 -0.1357 0.5602 0.063 Uiso 1 1 calc R
C155 C 0.8176(5) -0.2183(3) 0.5963(4) 0.0538(18) Uani 1 1 d .
H155 H 0.8346 -0.2496 0.5668 0.065 Uiso 1 1 calc R
C156 C 0.7727(5) -0.2383(4) 0.6463(4) 0.0512(17) Uani 1 1 d .
H156 H 0.7590 -0.2840 0.6490 0.061 Uiso 1 1 calc R
C157 C 0.7484(6) -0.1934(3) 0.6908(4) 0.0491(17) Uani 1 1 d .
H157 H 0.7201 -0.2076 0.7240 0.059 Uiso 1 1 calc R
C158 C 0.7679(5) -0.1222(4) 0.6851(4) 0.0509(17) Uani 1 1 d .
H158 H 0.7526 -0.0897 0.7145 0.061 Uiso 1 1 calc R
C159 C 0.6351(5) -0.0300(3) 0.5715(4) 0.0462(17) Uani 1 1 d .
C160 C 0.5374(6) -0.0453(4) 0.5849(4) 0.0499(17) Uani 1 1 d .
H160 H 0.5354 -0.0320 0.6291 0.060 Uiso 1 1 calc R
C161 C 0.4425(6) -0.0807(4) 0.5314(4) 0.0520(18) Uani 1 1 d .
H161 H 0.3767 -0.0928 0.5413 0.062 Uiso 1 1 calc R
C162 C 0.4369(6) -0.1004(3) 0.4627(4) 0.056(2) Uani 1 1 d .
H162 H 0.3704 -0.1240 0.4277 0.068 Uiso 1 1 calc R
C163 C 0.5383(6) -0.0820(3) 0.4506(4) 0.0554(19) Uani 1 1 d .
H163 H 0.5391 -0.0930 0.4059 0.066 Uiso 1 1 calc R
C164 C 0.6390(5) -0.0474(3) 0.5038(3) 0.0410(15) Uani 1 1 d .
H164 H 0.7058 -0.0363 0.4949 0.049 Uiso 1 1 calc R
C165 C 0.7686(7) 0.0136(5) 0.9017(5) 0.070(2) Uani 1 1 d .
C166 C 0.6786(7) -0.0499(5) 0.8747(5) 0.074(2) Uani 1 1 d .
H166 H 0.6074 -0.0508 0.8548 0.089 Uiso 1 1 calc R
C167 C 0.7005(8) -0.1107(5) 0.8791(6) 0.080(3) Uani 1 1 d .
H167 H 0.6408 -0.1522 0.8630 0.097 Uiso 1 1 calc R
C168 C 0.8037(8) -0.1145(5) 0.9053(5) 0.079(3) Uani 1 1 d .
H168 H 0.8147 -0.1566 0.9065 0.095 Uiso 1 1 calc R
C169 C 0.8928(8) -0.0493(5) 0.9306(5) 0.075(3) Uani 1 1 d .
H169 H 0.9645 -0.0483 0.9488 0.091 Uiso 1 1 calc R
C170 C 0.8737(7) 0.0115(5) 0.9285(6) 0.077(3) Uani 1 1 d .
C171 C 0.9785(7) 0.0701(5) 0.9614(4) 0.063(2) Uani 1 1 d .
H171 H 1.0423 0.0597 0.9766 0.075 Uiso 1 1 calc R
C172 C 1.0883(7) 0.1966(4) 0.9856(4) 0.061(2) Uani 1 1 d .
H17A H 1.0966 0.2057 0.9433 0.074 Uiso 1 1 calc R
H17B H 1.1521 0.1862 1.0088 0.074 Uiso 1 1 calc R
C173 C 1.0813(6) 0.2601(4) 1.0303(4) 0.0532(18) Uani 1 1 d .
H17C H 1.0758 0.2527 1.0737 0.064 Uiso 1 1 calc R
H17D H 1.1454 0.3009 1.0389 0.064 Uiso 1 1 calc R
C174 C 0.9701(7) 0.3294(4) 0.9859(4) 0.0533(18) Uani 1 1 d .
H174 H 1.0354 0.3668 0.9976 0.064 Uiso 1 1 calc R
C175 C 0.8671(7) 0.3435(4) 0.9648(4) 0.0545(18) Uani 1 1 d .
C176 C 0.8739(7) 0.4118(4) 0.9655(4) 0.0547(18) Uani 1 1 d .
H176 H 0.9420 0.4476 0.9825 0.066 Uiso 1 1 calc R
C177 C 0.7771(6) 0.4261(4) 0.9403(4) 0.058(2) Uani 1 1 d .
H177 H 0.7804 0.4716 0.9411 0.070 Uiso 1 1 calc R
C178 C 0.6783(6) 0.3732(4) 0.9147(4) 0.059(2) Uani 1 1 d .
H178 H 0.6148 0.3833 0.8979 0.071 Uiso 1 1 calc R
C179 C 0.6690(6) 0.3050(4) 0.9126(4) 0.0562(19) Uani 1 1 d .
H179 H 0.6008 0.2695 0.8941 0.067 Uiso 1 1 calc R
C180 C 0.7674(6) 0.2903(4) 0.9398(4) 0.0490(17) Uani 1 1 d .
C181 C 0.8383(6) 0.1302(4) 0.0099(5) 0.056(2) Uani 1 1 d .
C182 C 0.9887(6) 0.0888(3) 0.3299(4) 0.0418(16) Uani 1 1 d .
C183 C 1.0078(6) 0.0856(3) 0.5257(4) 0.0473(17) Uani 1 1 d .
C184 C 0.8821(6) 0.1521(3) 0.8296(4) 0.0469(18) Uani 1 1 d .
Mn1 Mn 0.26954(8) 0.44297(5) 0.11411(6) 0.0403(2) Uani 1 1 d .
Mn2 Mn 0.22433(8) 0.43504(5) 0.60351(5) 0.0404(2) Uani 1 1 d .
Mn3 Mn 0.96254(8) 0.11977(5) 0.68228(5) 0.0397(2) Uani 1 1 d .
Mn4 Mn 0.91875(8) 0.11353(5) 0.17139(5) 0.0403(2) Uani 1 1 d .
N1 N 0.2279(5) 0.5267(3) 0.1523(3) 0.0416(13) Uani 1 1 d .
N2 N 0.4234(5) 0.5168(3) 0.1403(3) 0.0419(13) Uani 1 1 d .
N3 N 0.1909(5) 0.4480(3) 0.3582(3) 0.0413(13) Uani 1 1 d .
N4 N 0.2078(4) 0.3234(3) 0.3296(3) 0.0375(12) Uani 1 1 d .
N5 N 0.2532(4) 0.5316(3) 0.5891(3) 0.0420(13) Uani 1 1 d .
N6 N 0.3792(5) 0.4783(3) 0.6738(3) 0.0414(13) Uani 1 1 d .
N7 N 0.0824(5) 0.3608(3) 0.8250(3) 0.0489(15) Uani 1 1 d .
N8 N 0.2989(4) 0.4176(3) 0.8618(3) 0.0379(13) Uani 1 1 d .
N9 N 0.2212(5) 0.4643(3) 0.0086(3) 0.0436(14) Uani 1 1 d .
N10 N 0.3267(5) 0.4341(3) 0.2242(3) 0.0447(14) Uani 1 1 d .
N11 N 0.3015(4) 0.4077(2) 0.5231(3) 0.0378(12) Uani 1 1 d .
N12 N 0.1633(5) 0.4593(3) 0.6968(3) 0.0463(14) Uani 1 1 d .
N13 N 0.9564(5) 0.0312(3) 0.1274(3) 0.0421(13) Uani 1 1 d .
N14 N 0.7707(5) 0.0432(3) 0.1570(3) 0.0464(14) Uani 1 1 d .
N15 N 1.0980(5) 0.1933(3) 0.4596(3) 0.0390(13) Uani 1 1 d .
N16 N 0.8799(5) 0.1384(3) 0.4248(3) 0.0431(14) Uani 1 1 d .
N17 N 0.9311(4) 0.0191(3) 0.6857(3) 0.0411(13) Uani 1 1 d .
N18 N 0.8002(5) 0.0805(3) 0.6273(3) 0.0461(14) Uani 1 1 d .
N19 N 0.9884(5) 0.1371(3) 0.9709(3) 0.0534(16) Uani 1 1 d .
N20 N 0.9791(5) 0.2687(3) 0.9899(4) 0.0557(16) Uani 1 1 d .
N21 N 0.8487(5) 0.1260(3) 0.0660(3) 0.0464(14) Uani 1 1 d .
N22 N 0.9817(5) 0.0869(3) 0.2714(3) 0.0469(14) Uani 1 1 d .
N23 N 1.0100(5) 0.0919(3) 0.5821(3) 0.0405(13) Uani 1 1 d .
N24 N 0.9091(4) 0.1439(3) 0.7812(3) 0.0396(12) Uani 1 1 d .
O1 O 0.1429(3) 0.3810(2) 0.1387(2) 0.0403(10) Uani 1 1 d .
O2 O 0.3243(4) 0.3657(2) 0.0763(3) 0.0464(11) Uani 1 1 d .
O3 O 0.4449(4) 0.5167(2) 0.4218(2) 0.0419(11) Uani 1 1 d .
O4 O 0.4465(4) 0.3698(2) 0.3793(2) 0.0403(10) Uani 1 1 d .
O5 O 0.0739(4) 0.4006(2) 0.5341(3) 0.0495(12) Uani 1 1 d .
O6 O 0.2063(4) 0.3388(2) 0.6191(2) 0.0423(11) Uani 1 1 d .
O7 O 0.0422(4) 0.4892(2) 0.8446(2) 0.0428(11) Uani 1 1 d .
O8 O 0.2877(4) 0.5598(2) 0.8736(3) 0.0443(11) Uani 1 1 d .
O9 O 1.0663(3) 0.1837(2) 0.1803(2) 0.0423(10) Uani 1 1 d .
O10 O 0.8781(4) 0.1873(2) 0.2246(2) 0.0420(10) Uani 1 1 d .
O11 O 1.1359(4) 0.0588(2) 0.4396(2) 0.0436(11) Uani 1 1 d .
O12 O 0.8844(4) -0.0083(2) 0.3998(3) 0.0441(11) Uani 1 1 d .
O13 O 1.1117(3) 0.1468(2) 0.7431(2) 0.0415(11) Uani 1 1 d .
O14 O 0.9790(4) 0.2098(2) 0.6755(3) 0.0457(11) Uani 1 1 d .
O15 O 0.7512(4) 0.0721(3) 0.8992(3) 0.0534(13) Uani 1 1 d .
O16 O 0.7469(4) 0.2255(2) 0.9407(3) 0.0526(13) Uani 1 1 d .
Ru1 Ru 0.32955(4) 0.41821(2) 0.37253(2) 0.03617(12) Uani 1 1 d .
Ru2 Ru 0.18031(4) 0.46208(2) 0.85181(3) 0.04030(13) Uani 1 1 d .
Ru3 Ru 1.00149(4) 0.09063(2) 0.42862(3) 0.04004(13) Uani 1 1 d .
Ru4 Ru 0.86668(5) 0.16900(3) 0.94478(4) 0.05597(17) 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 118.0(6) . .
O1 C1 C6 121.4(6) . .
C2 C1 C6 119.6(7) . .
C3 C2 C1 122.5(7) . .
C3 C2 H2 118.7 . .
C1 C2 H2 118.7 . .
C2 C3 C4 119.5(6) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 119.8(7) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C4 C5 C6 120.1(6) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C7 119.1(6) . .
C5 C6 C1 118.4(6) . .
C7 C6 C1 121.7(6) . .
N1 C7 C6 130.6(6) . .
N1 C7 H7 114.7 . .
C6 C7 H7 114.7 . .
C9 C8 N1 104.5(5) . .
C9 C8 C17 112.7(6) . .
N1 C8 C17 112.0(6) . .
C9 C8 H8 109.2 . .
N1 C8 H8 109.2 . .
C17 C8 H8 109.2 . .
N2 C9 C8 101.3(6) . .
N2 C9 C23 103.7(6) . .
C8 C9 C23 114.8(5) . .
N2 C9 H9 112.1 . .
C8 C9 H9 112.1 . .
C23 C9 H9 112.1 . .
N2 C10 C11 133.7(6) . .
N2 C10 H10 113.2 . .
C11 C10 H10 113.2 . .
C16 C11 C12 119.7(6) . .
C16 C11 C10 121.7(6) . .
C12 C11 C10 118.6(5) . .
C13 C12 C11 119.7(6) . .
C13 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C12 C13 C14 120.1(7) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 119.6(7) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C14 C15 C16 121.5(6) . .
C14 C15 H15 119.3 . .
C16 C15 H15 119.3 . .
O2 C16 C11 122.2(6) . .
O2 C16 C15 118.0(5) . .
C11 C16 C15 119.6(6) . .
C22 C17 C18 120.0(7) . .
C22 C17 C8 118.2(7) . .
C18 C17 C8 121.7(7) . .
C19 C18 C17 119.8(8) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C18 C19 C20 120.6(8) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C21 C20 C19 119.4(7) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C22 C21 C20 119.3(7) . .
C22 C21 H21 120.3 . .
C20 C21 H21 120.3 . .
C17 C22 C21 120.8(7) . .
C17 C22 H22 119.6 . .
C21 C22 H22 119.6 . .
C24 C23 C28 120.4(6) . .
C24 C23 C9 119.5(7) . .
C28 C23 C9 119.8(7) . .
C23 C24 C25 119.5(7) . .
C23 C24 H24 120.2 . .
C25 C24 H24 120.2 . .
C26 C25 C24 119.1(8) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
C27 C26 C25 119.5(7) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C26 C27 C28 122.5(7) . .
C26 C27 H27 118.8 . .
C28 C27 H27 118.8 . .
C27 C28 C23 118.9(7) . .
C27 C28 H28 120.6 . .
C23 C28 H28 120.6 . .
O3 C29 C34 127.4(6) . .
O3 C29 C30 110.8(7) . .
C34 C29 C30 121.5(7) . .
C31 C30 C29 118.6(7) . .
C31 C30 H30 120.7 . .
C29 C30 H30 120.7 . .
C32 C31 C30 120.2(7) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C33 121.6(7) . .
C31 C32 H32 119.2 . .
C33 C32 H32 119.2 . .
C32 C33 C34 119.0(7) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
C29 C34 C33 118.8(6) . .
C29 C34 C35 128.5(6) . .
C33 C34 C35 112.7(6) . .
N3 C35 C34 129.1(7) . .
N3 C35 H35 115.5 . .
C34 C35 H35 115.5 . .
N3 C36 C37 112.9(6) . .
N3 C36 H36A 109.0 . .
C37 C36 H36A 109.0 . .
N3 C36 H36B 109.0 . .
C37 C36 H36B 109.0 . .
H36A C36 H36B 107.8 . .
C36 C37 N4 99.8(5) . .
C36 C37 H37A 111.8 . .
N4 C37 H37A 111.8 . .
C36 C37 H37B 111.8 . .
N4 C37 H37B 111.8 . .
H37A C37 H37B 109.5 . .
N4 C38 C39 118.6(5) . .
N4 C38 H38 120.7 . .
C39 C38 H38 120.7 . .
C44 C39 C40 120.6(6) . .
C44 C39 C38 128.6(6) . .
C40 C39 C38 108.5(5) . .
C41 C40 C39 119.6(6) . .
C41 C40 H40 120.2 . .
C39 C40 H40 120.2 . .
C42 C41 C40 120.3(6) . .
C42 C41 H41 119.8 . .
C40 C41 H41 119.8 . .
C41 C42 C43 121.4(7) . .
C41 C42 H42 119.3 . .
C43 C42 H42 119.3 . .
C42 C43 C44 118.7(6) . .
C42 C43 H43 120.6 . .
C44 C43 H43 120.6 . .
O4 C44 C39 124.6(6) . .
O4 C44 C43 116.0(6) . .
C39 C44 C43 119.3(6) . .
C46 C45 C50 121.7(7) . .
C46 C45 O5 117.3(6) . .
C50 C45 O5 121.0(6) . .
C45 C46 C47 118.8(6) . .
C45 C46 H46 120.6 . .
C47 C46 H46 120.6 . .
C48 C47 C46 120.4(7) . .
C48 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C47 C48 C49 121.9(7) . .
C47 C48 H48 119.1 . .
C49 C48 H48 119.1 . .
C48 C49 C50 118.6(6) . .
C48 C49 H49 120.7 . .
C50 C49 H49 120.7 . .
C45 C50 C49 118.5(6) . .
C45 C50 C51 126.0(6) . .
C49 C50 C51 115.3(6) . .
N5 C51 C50 124.8(6) . .
N5 C51 H51 117.6 . .
C50 C51 H51 117.6 . .
N5 C52 C61 117.5(6) . .
N5 C52 C53 111.9(5) . .
C61 C52 C53 104.4(5) . .
N5 C52 H52 107.6 . .
C61 C52 H52 107.6 . .
C53 C52 H52 107.6 . .
N6 C53 C52 105.6(5) . .
N6 C53 C67 111.3(6) . .
C52 C53 C67 114.1(5) . .
N6 C53 H53 108.5 . .
C52 C53 H53 108.5 . .
C67 C53 H53 108.5 . .
N6 C54 C55 134.3(6) . .
N6 C54 H54 112.8 . .
C55 C54 H54 112.8 . .
C56 C55 C60 119.4(6) . .
C56 C55 C54 118.8(6) . .
C60 C55 C54 121.8(6) . .
C57 C56 C55 120.0(6) . .
C57 C56 H56 120.0 . .
C55 C56 H56 120.0 . .
C58 C57 C56 121.1(7) . .
C58 C57 H57 119.4 . .
C56 C57 H57 119.4 . .
C57 C58 C59 119.4(6) . .
C57 C58 H58 120.3 . .
C59 C58 H58 120.3 . .
C60 C59 C58 120.0(6) . .
C60 C59 H59 120.0 . .
C58 C59 H59 120.0 . .
O6 C60 C59 118.3(6) . .
O6 C60 C55 121.6(6) . .
C59 C60 C55 120.0(7) . .
C62 C61 C66 119.7(6) . .
C62 C61 C52 119.5(7) . .
C66 C61 C52 120.8(6) . .
C61 C62 C63 121.2(7) . .
C61 C62 H62 119.4 . .
C63 C62 H62 119.4 . .
C64 C63 C62 117.8(7) . .
C64 C63 H63 121.1 . .
C62 C63 H63 121.1 . .
C63 C64 C65 123.3(7) . .
C63 C64 H64 118.4 . .
C65 C64 H64 118.4 . .
C66 C65 C64 117.9(8) . .
C66 C65 H65 121.1 . .
C64 C65 H65 121.1 . .
C65 C66 C61 120.0(8) . .
C65 C66 H66 120.0 . .
C61 C66 H66 120.0 . .
C72 C67 C68 116.1(7) . .
C72 C67 C53 119.5(6) . .
C68 C67 C53 124.4(6) . .
C67 C68 C69 121.7(7) . .
C67 C68 H68 119.2 . .
C69 C68 H68 119.2 . .
C70 C69 C68 117.5(8) . .
C70 C69 H69 121.3 . .
C68 C69 H69 121.3 . .
C69 C70 C71 124.1(7) . .
C69 C70 H70 118.0 . .
C71 C70 H70 118.0 . .
C70 C71 C72 116.3(7) . .
C70 C71 H71 121.9 . .
C72 C71 H71 121.9 . .
C67 C72 C71 124.3(7) . .
C67 C72 H72 117.9 . .
C71 C72 H72 117.9 . .
O7 C73 C78 128.4(6) . .
O7 C73 C74 111.6(6) . .
C78 C73 C74 119.9(6) . .
C75 C74 C73 119.2(6) . .
C75 C74 H74 120.4 . .
C73 C74 H74 120.4 . .
C76 C75 C74 119.4(7) . .
C76 C75 H75 120.3 . .
C74 C75 H75 120.3 . .
C77 C76 C75 120.6(7) . .
C77 C76 H76 119.7 . .
C75 C76 H76 119.7 . .
C76 C77 C78 121.5(6) . .
C76 C77 H77 119.2 . .
C78 C77 H77 119.2 . .
C73 C78 C77 119.2(6) . .
C73 C78 C79 120.2(6) . .
C77 C78 C79 120.2(6) . .
N7 C79 C78 124.9(6) . .
N7 C79 H79 117.5 . .
C78 C79 H79 117.5 . .
C81 C80 N7 115.3(6) . .
C81 C80 H80A 108.4 . .
N7 C80 H80A 108.4 . .
C81 C80 H80B 108.4 . .
N7 C80 H80B 108.4 . .
H80A C80 H80B 107.5 . .
N8 C81 C80 102.3(6) . .
N8 C81 H81A 111.3 . .
C80 C81 H81A 111.3 . .
N8 C81 H81B 111.3 . .
C80 C81 H81B 111.3 . .
H81A C81 H81B 109.2 . .
N8 C82 C83 118.2(7) . .
N8 C82 H82 120.9 . .
C83 C82 H82 120.9 . .
C88 C83 C84 117.9(6) . .
C88 C83 C82 128.7(7) . .
C84 C83 C82 111.7(7) . .
C85 C84 C83 119.2(7) . .
C85 C84 H84 120.4 . .
C83 C84 H84 120.4 . .
C84 C85 C86 121.6(7) . .
C84 C85 H85 119.2 . .
C86 C85 H85 119.2 . .
C87 C86 C85 119.5(7) . .
C87 C86 H86 120.3 . .
C85 C86 H86 120.3 . .
C86 C87 C88 120.5(7) . .
C86 C87 H87 119.8 . .
C88 C87 H87 119.8 . .
C87 C88 O8 112.7(6) . .
C87 C88 C83 121.3(7) . .
O8 C88 C83 125.9(6) . .
N9 C89 Ru2 167.6(7) . 1_554
N10 C90 Ru1 175.2(6) . .
N11 C91 Ru1 172.1(6) . .
N12 C92 Ru2 178.4(6) . .
O9 C93 C94 117.6(6) . .
O9 C93 C98 124.5(6) . .
C94 C93 C98 117.9(6) . .
C93 C94 C95 121.1(6) . .
C93 C94 H94 119.5 . .
C95 C94 H94 119.5 . .
C94 C95 C96 118.7(6) . .
C94 C95 H95 120.6 . .
C96 C95 H95 120.6 . .
C97 C96 C95 119.8(6) . .
C97 C96 H96 120.1 . .
C95 C96 H96 120.1 . .
C98 C97 C96 121.1(6) . .
C98 C97 H97 119.5 . .
C96 C97 H97 119.5 . .
C97 C98 C93 121.3(6) . .
C97 C98 C99 118.5(6) . .
C93 C98 C99 119.5(7) . .
N13 C99 C98 134.9(7) . .
N13 C99 H99 112.5 . .
C98 C99 H99 112.5 . .
N13 C100 C109 106.2(5) . .
N13 C100 C101 108.2(5) . .
C109 C100 C101 102.2(6) . .
N13 C100 H100 113.2 . .
C109 C100 H100 113.2 . .
C101 C100 H100 113.2 . .
N14 C101 C100 111.3(5) . .
N14 C101 C115 109.4(6) . .
C100 C101 C115 108.7(6) . .
N14 C101 H101 109.1 . .
C100 C101 H101 109.1 . .
C115 C101 H101 109.1 . .
N14 C102 C103 124.7(6) . .
N14 C102 H102 117.6 . .
C103 C102 H102 117.6 . .
C104 C103 C108 118.1(6) . .
C104 C103 C102 116.1(6) . .
C108 C103 C102 125.3(7) . .
C103 C104 C105 120.7(6) . .
C103 C104 H104 119.7 . .
C105 C104 H104 119.7 . .
C106 C105 C104 119.8(7) . .
C106 C105 H105 120.1 . .
C104 C105 H105 120.1 . .
C105 C106 C107 119.9(6) . .
C105 C106 H106 120.0 . .
C107 C106 H106 120.0 . .
C108 C107 C106 119.3(6) . .
C108 C107 H107 120.3 . .
C106 C107 H107 120.3 . .
C107 C108 O10 116.2(6) . .
C107 C108 C103 122.1(7) . .
O10 C108 C103 121.7(6) . .
C110 C109 C114 118.9(7) . .
C110 C109 C100 121.9(6) . .
C114 C109 C100 119.2(6) . .
C109 C110 C111 122.8(7) . .
C109 C110 H110 118.6 . .
C111 C110 H110 118.6 . .
C112 C111 C110 117.2(7) . .
C112 C111 H111 121.4 . .
C110 C111 H111 121.4 . .
C113 C112 C111 122.3(6) . .
C113 C112 H112 118.9 . .
C111 C112 H112 118.9 . .
C112 C113 C114 118.4(7) . .
C112 C113 H113 120.8 . .
C114 C113 H113 120.8 . .
C109 C114 C113 120.4(6) . .
C109 C114 H114 119.8 . .
C113 C114 H114 119.8 . .
C116 C115 C120 125.0(8) . .
C116 C115 C101 114.9(6) . .
C120 C115 C101 119.9(7) . .
C115 C116 C117 120.2(9) . .
C115 C116 H116 119.9 . .
C117 C116 H116 119.9 . .
C116 C117 C118 116.7(9) . .
C116 C117 H117 121.6 . .
C118 C117 H117 121.6 . .
C119 C118 C117 122.1(8) . .
C119 C118 H118 119.0 . .
C117 C118 H118 119.0 . .
C118 C119 C120 119.6(8) . .
C118 C119 H119 120.2 . .
C120 C119 H119 120.2 . .
C115 C120 C119 115.4(8) . .
C115 C120 H120 122.3 . .
C119 C120 H120 122.3 . .
O11 C121 C122 111.6(6) . .
O11 C121 C126 126.7(6) . .
C122 C121 C126 121.6(7) . .
C121 C122 C123 120.1(7) . .
C121 C122 H122 120.0 . .
C123 C122 H122 120.0 . .
C122 C123 C124 120.4(7) . .
C122 C123 H123 119.8 . .
C124 C123 H123 119.8 . .
C125 C124 C123 117.3(6) . .
C125 C124 H124 121.3 . .
C123 C124 H124 121.3 . .
C124 C125 C126 122.7(6) . .
C124 C125 H125 118.7 . .
C126 C125 H125 118.7 . .
C125 C126 C121 117.7(6) . .
C125 C126 C127 112.7(6) . .
C121 C126 C127 129.5(6) . .
N15 C127 C126 118.3(6) . .
N15 C127 H127 120.9 . .
C126 C127 H127 120.9 . .
N15 C128 C129 104.8(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 112.9(6) . .
N16 C129 H12C 109.0 . .
C128 C129 H12C 109.0 . .
N16 C129 H12D 109.0 . .
C128 C129 H12D 109.0 . .
H12C C129 H12D 107.8 . .
N16 C130 C131 127.9(7) . .
N16 C130 H130 116.1 . .
C131 C130 H130 116.1 . .
C132 C131 C136 116.9(6) . .
C132 C131 C130 113.5(6) . .
C136 C131 C130 129.6(6) . .
C131 C132 C133 123.0(7) . .
C131 C132 H132 118.5 . .
C133 C132 H132 118.5 . .
C134 C133 C132 119.7(7) . .
C134 C133 H133 120.2 . .
C132 C133 H133 120.2 . .
C133 C134 C135 121.1(6) . .
C133 C134 H134 119.5 . .
C135 C134 H134 119.5 . .
C134 C135 C136 118.7(6) . .
C134 C135 H135 120.6 . .
C136 C135 H135 120.6 . .
O12 C136 C135 120.1(6) . .
O12 C136 C131 118.5(6) . .
C135 C136 C131 120.4(6) . .
O13 C137 C142 126.7(7) . .
O13 C137 C138 115.3(5) . .
C142 C137 C138 117.4(7) . .
C139 C138 C137 121.2(6) . .
C139 C138 H138 119.4 . .
C137 C138 H138 119.4 . .
C140 C139 C138 120.4(6) . .
C140 C139 H139 119.8 . .
C138 C139 H139 119.8 . .
C139 C140 C141 119.9(7) . .
C139 C140 H140 120.0 . .
C141 C140 H140 120.0 . .
C140 C141 C142 120.2(6) . .
C140 C141 H141 119.9 . .
C142 C141 H141 119.9 . .
C141 C142 C137 120.7(7) . .
C141 C142 C143 117.5(6) . .
C137 C142 C143 121.7(7) . .
N17 C143 C142 126.6(6) . .
N17 C143 H143 116.7 . .
C142 C143 H143 116.7 . .
C145 C144 N17 103.8(5) . .
C145 C144 C153 129.0(6) . .
N17 C144 C153 110.8(6) . .
C145 C144 H144 103.5 . .
N17 C144 H144 103.5 . .
C153 C144 H144 103.5 . .
N18 C145 C144 114.2(5) . .
N18 C145 C159 114.7(5) . .
C144 C145 C159 117.3(6) . .
N18 C145 H145 102.6 . .
C144 C145 H145 102.6 . .
C159 C145 H145 102.6 . .
N18 C146 C147 124.9(6) . .
N18 C146 H146 117.5 . .
C147 C146 H146 117.5 . .
C148 C147 C152 118.4(6) . .
C148 C147 C146 117.0(6) . .
C152 C147 C146 124.2(6) . .
C147 C148 C149 120.0(6) . .
C147 C148 H148 120.0 . .
C149 C148 H148 120.0 . .
C150 C149 C148 120.7(6) . .
C150 C149 H149 119.7 . .
C148 C149 H149 119.7 . .
C149 C150 C151 119.5(6) . .
C149 C150 H150 120.3 . .
C151 C150 H150 120.3 . .
C152 C151 C150 119.9(6) . .
C152 C151 H151 120.1 . .
C150 C151 H151 120.1 . .
C151 C152 O14 114.4(5) . .
C151 C152 C147 121.5(6) . .
O14 C152 C147 124.0(5) . .
C154 C153 C158 123.1(7) . .
C154 C153 C144 120.7(7) . .
C158 C153 C144 116.1(7) . .
C153 C154 C155 120.9(8) . .
C153 C154 H154 119.6 . .
C155 C154 H154 119.6 . .
C154 C155 C156 117.9(7) . .
C154 C155 H155 121.1 . .
C156 C155 H155 121.1 . .
C157 C156 C155 122.4(7) . .
C157 C156 H156 118.8 . .
C155 C156 H156 118.8 . .
C156 C157 C158 118.4(7) . .
C156 C157 H157 120.8 . .
C158 C157 H157 120.8 . .
C153 C158 C157 117.3(7) . .
C153 C158 H158 121.4 . .
C157 C158 H158 121.4 . .
C160 C159 C164 121.5(6) . .
C160 C159 C145 126.4(7) . .
C164 C159 C145 112.1(6) . .
C159 C160 C161 118.2(7) . .
C159 C160 H160 120.9 . .
C161 C160 H160 120.9 . .
C160 C161 C162 125.0(7) . .
C160 C161 H161 117.5 . .
C162 C161 H161 117.5 . .
C163 C162 C161 115.4(6) . .
C163 C162 H162 122.3 . .
C161 C162 H162 122.3 . .
C162 C163 C164 122.2(7) . .
C162 C163 H163 118.9 . .
C164 C163 H163 118.9 . .
C163 C164 C159 117.7(6) . .
C163 C164 H164 121.2 . .
C159 C164 H164 121.2 . .
O15 C165 C170 122.0(8) . .
O15 C165 C166 119.4(8) . .
C170 C165 C166 118.6(8) . .
C167 C166 C165 117.5(9) . .
C167 C166 H166 121.2 . .
C165 C166 H166 121.2 . .
C168 C167 C166 125.2(10) . .
C168 C167 H167 117.4 . .
C166 C167 H167 117.4 . .
C167 C168 C169 115.5(9) . .
C167 C168 H168 122.3 . .
C169 C168 H168 122.3 . .
C170 C169 C168 120.7(9) . .
C170 C169 H169 119.6 . .
C168 C169 H169 119.6 . .
C169 C170 C165 122.4(9) . .
C169 C170 C171 108.9(8) . .
C165 C170 C171 128.6(8) . .
N19 C171 C170 124.5(8) . .
N19 C171 H171 117.8 . .
C170 C171 H171 117.8 . .
N19 C172 C173 109.5(7) . .
N19 C172 H17A 109.8 . .
C173 C172 H17A 109.8 . .
N19 C172 H17B 109.8 . .
C173 C172 H17B 109.8 . .
H17A C172 H17B 108.2 . .
N20 C173 C172 104.1(7) . .
N20 C173 H17C 110.9 . .
C172 C173 H17C 110.9 . .
N20 C173 H17D 110.9 . .
C172 C173 H17D 110.9 . .
H17C C173 H17D 109.0 . .
N20 C174 C175 126.1(7) . .
N20 C174 H174 117.0 . .
C175 C174 H174 117.0 . .
C180 C175 C176 121.0(8) . .
C180 C175 C174 120.9(7) . .
C176 C175 C174 117.9(7) . .
C175 C176 C177 119.3(7) . .
C175 C176 H176 120.3 . .
C177 C176 H176 120.3 . .
C178 C177 C176 119.7(8) . .
C178 C177 H177 120.2 . .
C176 C177 H177 120.2 . .
C177 C178 C179 122.4(8) . .
C177 C178 H178 118.8 . .
C179 C178 H178 118.8 . .
C178 C179 C180 118.2(7) . .
C178 C179 H179 120.9 . .
C180 C179 H179 120.9 . .
O16 C180 C175 128.0(7) . .
O16 C180 C179 112.4(6) . .
C175 C180 C179 119.4(7) . .
N21 C181 Ru4 156.6(7) . 1_554
N22 C182 Ru3 179.0(6) . .
N23 C183 Ru3 170.4(6) . .
N24 C184 Ru4 166.9(6) . .
O2 Mn1 N2 91.3(2) . .
O2 Mn1 N1 174.8(2) . .
N2 Mn1 N1 83.7(2) . .
O2 Mn1 O1 97.37(18) . .
N2 Mn1 O1 152.0(2) . .
N1 Mn1 O1 87.6(2) . .
O2 Mn1 N10 92.7(2) . .
N2 Mn1 N10 85.2(2) . .
N1 Mn1 N10 88.0(2) . .
O1 Mn1 N10 67.94(18) . .
O2 Mn1 N9 91.4(2) . .
N2 Mn1 N9 90.3(2) . .
N1 Mn1 N9 87.6(2) . .
O1 Mn1 N9 115.89(19) . .
N10 Mn1 N9 174.0(2) . .
O5 Mn2 N5 91.0(2) . .
O5 Mn2 O6 92.24(18) . .
N5 Mn2 O6 176.1(2) . .
O5 Mn2 N6 175.3(2) . .
N5 Mn2 N6 84.4(2) . .
O6 Mn2 N6 92.4(2) . .
O5 Mn2 N11 91.9(2) . .
N5 Mn2 N11 88.9(2) . .
O6 Mn2 N11 88.80(19) . .
N6 Mn2 N11 88.6(2) . .
O5 Mn2 N12 94.8(2) . .
N5 Mn2 N12 95.4(2) . .
O6 Mn2 N12 86.5(2) . .
N6 Mn2 N12 85.1(2) . .
N11 Mn2 N12 172.0(2) . .
O14 Mn3 O13 93.15(19) . .
O14 Mn3 N18 94.4(2) . .
O13 Mn3 N18 170.8(2) . .
O14 Mn3 N17 175.3(2) . .
O13 Mn3 N17 91.5(2) . .
N18 Mn3 N17 81.0(2) . .
O14 Mn3 N23 91.1(2) . .
O13 Mn3 N23 94.2(2) . .
N18 Mn3 N23 90.9(2) . .
N17 Mn3 N23 89.3(2) . .
O14 Mn3 N24 90.3(2) . .
O13 Mn3 N24 87.31(19) . .
N18 Mn3 N24 87.4(2) . .
N17 Mn3 N24 89.1(2) . .
N23 Mn3 N24 177.88(18) . .
O10 Mn4 N14 89.7(2) . .
O10 Mn4 O9 91.81(17) . .
N14 Mn4 O9 176.9(2) . .
O10 Mn4 N13 171.9(2) . .
N14 Mn4 N13 86.0(2) . .
O9 Mn4 N13 92.7(2) . .
O10 Mn4 N21 97.6(2) . .
N14 Mn4 N21 88.2(2) . .
O9 Mn4 N21 88.92(19) . .
N13 Mn4 N21 89.3(2) . .
O10 Mn4 N22 87.8(2) . .
N14 Mn4 N22 87.6(2) . .
O9 Mn4 N22 95.2(2) . .
N13 Mn4 N22 85.0(2) . .
N21 Mn4 N22 173.13(19) . .
C7 N1 C8 133.3(5) . .
C7 N1 Mn1 124.0(4) . .
C8 N1 Mn1 102.2(4) . .
C10 N2 C9 133.6(6) . .
C10 N2 Mn1 118.7(4) . .
C9 N2 Mn1 106.3(4) . .
C35 N3 C36 134.4(6) . .
C35 N3 Ru1 117.2(5) . .
C36 N3 Ru1 108.1(4) . .
C38 N4 C37 117.4(5) . .
C38 N4 Ru1 128.4(4) . .
C37 N4 Ru1 113.7(4) . .
C51 N5 C52 122.2(5) . .
C51 N5 Mn2 127.4(4) . .
C52 N5 Mn2 109.2(4) . .
C54 N6 C53 128.2(6) . .
C54 N6 Mn2 118.8(4) . .
C53 N6 Mn2 111.7(4) . .
C79 N7 C80 124.3(6) . .
C79 N7 Ru2 126.9(5) . .
C80 N7 Ru2 108.7(4) . .
C82 N8 C81 115.2(6) . .
C82 N8 Ru2 126.2(5) . .
C81 N8 Ru2 118.5(4) . .
C89 N9 Mn1 170.9(7) . .
C90 N10 Mn1 165.0(6) . .
C91 N11 Mn2 152.7(5) . .
C92 N12 Mn2 149.8(6) . .
C99 N13 C100 126.8(6) . .
C99 N13 Mn4 117.7(4) . .
C100 N13 Mn4 109.0(4) . .
C102 N14 C101 123.9(5) . .
C102 N14 Mn4 127.3(5) . .
C101 N14 Mn4 108.0(4) . .
C127 N15 C128 118.8(6) . .
C127 N15 Ru3 128.3(5) . .
C128 N15 Ru3 112.8(4) . .
C130 N16 C129 134.5(6) . .
C130 N16 Ru3 115.7(5) . .
C129 N16 Ru3 107.3(4) . .
C143 N17 C144 124.2(5) . .
C143 N17 Mn3 122.7(4) . .
C144 N17 Mn3 113.2(4) . .
C146 N18 C145 125.0(6) . .
C146 N18 Mn3 123.1(4) . .
C145 N18 Mn3 112.0(4) . .
C171 N19 C172 127.7(7) . .
C171 N19 Ru4 123.9(5) . .
C172 N19 Ru4 106.8(5) . .
C174 N20 C173 123.8(7) . .
C174 N20 Ru4 130.5(6) . .
C173 N20 Ru4 105.6(4) . .
C181 N21 Mn4 161.9(6) . .
C182 N22 Mn4 152.9(6) . .
C183 N23 Mn3 159.4(6) . .
C184 N24 Mn3 176.5(5) . .
C1 O1 Mn1 126.6(4) . .
C16 O2 Mn1 129.5(4) . .
C29 O3 Ru1 119.2(4) . .
C44 O4 Ru1 124.8(4) . .
C45 O5 Mn2 129.4(4) . .
C60 O6 Mn2 130.8(4) . .
C73 O7 Ru2 123.0(4) . .
C88 O8 Ru2 120.8(4) . .
C93 O9 Mn4 129.3(4) . .
C108 O10 Mn4 129.3(4) . .
C121 O11 Ru3 119.9(4) . .
C136 O12 Ru3 127.3(4) . .
C137 O13 Mn3 126.9(4) . .
C152 O14 Mn3 126.7(4) . .
C165 O15 Ru4 125.0(5) . .
C180 O16 Ru4 125.5(4) . .
N4 Ru1 C90 91.5(2) . .
N4 Ru1 O3 174.8(2) . .
C90 Ru1 O3 92.1(2) . .
N4 Ru1 O4 89.76(19) . .
C90 Ru1 O4 92.2(2) . .
O3 Ru1 O4 93.87(18) . .
N4 Ru1 N3 79.5(2) . .
C90 Ru1 N3 88.5(3) . .
O3 Ru1 N3 96.79(19) . .
O4 Ru1 N3 169.29(19) . .
N4 Ru1 C91 87.7(2) . .
C90 Ru1 C91 175.8(3) . .
O3 Ru1 C91 88.4(2) . .
O4 Ru1 C91 91.9(2) . .
N3 Ru1 C91 87.3(2) . .
C92 Ru2 O8 84.9(2) . .
C92 Ru2 N7 91.8(3) . .
O8 Ru2 N7 174.2(2) . .
C92 Ru2 N8 92.3(3) . .
O8 Ru2 N8 94.2(2) . .
N7 Ru2 N8 81.2(2) . .
C92 Ru2 O7 92.5(3) . .
O8 Ru2 O7 96.50(18) . .
N7 Ru2 O7 88.4(2) . .
N8 Ru2 O7 168.62(19) . .
C92 Ru2 C89 174.4(3) . 1_556
O8 Ru2 C89 90.3(2) . 1_556
N7 Ru2 C89 92.7(3) . 1_556
N8 Ru2 C89 85.1(3) . 1_556
O7 Ru2 C89 90.9(3) . 1_556
C182 Ru3 N15 90.2(2) . .
C182 Ru3 C183 176.2(3) . .
N15 Ru3 C183 93.6(2) . .
C182 Ru3 O11 91.1(2) . .
N15 Ru3 O11 92.2(2) . .
C183 Ru3 O11 88.7(3) . .
C182 Ru3 O12 92.0(2) . .
N15 Ru3 O12 171.2(2) . .
C183 Ru3 O12 84.2(2) . .
O11 Ru3 O12 96.21(18) . .
C182 Ru3 N16 90.4(3) . .
N15 Ru3 N16 79.5(2) . .
C183 Ru3 N16 90.3(3) . .
O11 Ru3 N16 171.5(2) . .
O12 Ru3 N16 92.03(19) . .
C181 Ru4 N19 77.9(3) 1_556 .
C181 Ru4 O15 71.7(3) 1_556 .
N19 Ru4 O15 95.5(2) . .
C181 Ru4 N20 108.8(3) 1_556 .
N19 Ru4 N20 86.6(3) . .
O15 Ru4 N20 177.9(3) . .
C181 Ru4 O16 96.7(3) 1_556 .
N19 Ru4 O16 165.3(2) . .
O15 Ru4 O16 95.76(19) . .
N20 Ru4 O16 82.2(2) . .
C181 Ru4 C184 147.4(3) 1_556 .
N19 Ru4 C184 88.5(3) . .
O15 Ru4 C184 80.5(2) . .
N20 Ru4 C184 99.5(2) . .
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 1.334(9) .
C1 C2 1.380(9) .
C1 C6 1.423(9) .
C2 C3 1.361(9) .
C2 H2 0.9300 .
C3 C4 1.403(10) .
C3 H3 0.9300 .
C4 C5 1.409(10) .
C4 H4 0.9300 .
C5 C6 1.410(10) .
C5 H5 0.9300 .
C6 C7 1.423(9) .
C7 N1 1.309(8) .
C7 H7 0.9300 .
C8 C9 1.505(10) .
C8 N1 1.508(8) .
C8 C17 1.521(9) .
C8 H8 0.9800 .
C9 N2 1.471(9) .
C9 C23 1.556(9) .
C9 H9 0.9800 .
C10 N2 1.316(9) .
C10 C11 1.492(10) .
C10 H10 0.9300 .
C11 C16 1.392(9) .
C11 C12 1.419(10) .
C12 C13 1.395(10) .
C12 H12 0.9300 .
C13 C14 1.402(10) .
C13 H13 0.9300 .
C14 C15 1.379(9) .
C14 H14 0.9300 .
C15 C16 1.395(10) .
C15 H15 0.9300 .
C16 O2 1.297(8) .
C17 C22 1.385(10) .
C17 C18 1.392(10) .
C18 C19 1.371(10) .
C18 H18 0.9300 .
C19 C20 1.412(11) .
C19 H19 0.9300 .
C20 C21 1.394(10) .
C20 H20 0.9300 .
C21 C22 1.390(10) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.364(10) .
C23 C28 1.394(10) .
C24 C25 1.419(10) .
C24 H24 0.9300 .
C25 C26 1.399(11) .
C25 H25 0.9300 .
C26 C27 1.340(10) .
C26 H26 0.9300 .
C27 C28 1.376(9) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 O3 1.276(8) .
C29 C34 1.382(10) .
C29 C30 1.403(10) .
C30 C31 1.402(10) .
C30 H30 0.9300 .
C31 C32 1.376(10) .
C31 H31 0.9300 .
C32 C33 1.383(10) .
C32 H32 0.9300 .
C33 C34 1.432(9) .
C33 H33 0.9300 .
C34 C35 1.440(9) .
C35 N3 1.276(8) .
C35 H35 0.9300 .
C36 N3 1.461(8) .
C36 C37 1.468(9) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 N4 1.490(9) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 N4 1.350(8) .
C38 C39 1.466(9) .
C38 H38 0.9300 .
C39 C44 1.394(9) .
C39 C40 1.403(8) .
C40 C41 1.381(10) .
C40 H40 0.9300 .
C41 C42 1.374(10) .
C41 H41 0.9300 .
C42 C43 1.401(9) .
C42 H42 0.9300 .
C43 C44 1.413(9) .
C43 H43 0.9300 .
C44 O4 1.301(8) .
C45 C46 1.359(10) .
C45 C50 1.398(8) .
C45 O5 1.406(8) .
C46 C47 1.409(10) .
C46 H46 0.9300 .
C47 C48 1.357(8) .
C47 H47 0.9300 .
C48 C49 1.369(10) .
C48 H48 0.9300 .
C49 C50 1.426(10) .
C49 H49 0.9300 .
C50 C51 1.514(9) .
C51 N5 1.292(9) .
C51 H51 0.9300 .
C52 N5 1.498(8) .
C52 C61 1.543(10) .
C52 C53 1.561(10) .
C52 H52 0.9800 .
C53 N6 1.469(8) .
C53 C67 1.582(9) .
C53 H53 0.9800 .
C54 N6 1.300(9) .
C54 C55 1.520(9) .
C54 H54 0.9300 .
C55 C56 1.401(10) .
C55 C60 1.404(9) .
C56 C57 1.386(9) .
C56 H56 0.9300 .
C57 C58 1.380(10) .
C57 H57 0.9300 .
C58 C59 1.412(9) .
C58 H58 0.9300 .
C59 C60 1.389(9) .
C59 H59 0.9300 .
C60 O6 1.334(8) .
C61 C62 1.366(9) .
C61 C66 1.428(11) .
C62 C63 1.412(9) .
C62 H62 0.9300 .
C63 C64 1.376(12) .
C63 H63 0.9300 .
C64 C65 1.397(10) .
C64 H64 0.9300 .
C65 C66 1.397(10) .
C65 H65 0.9300 .
C66 H66 0.9300 .
C67 C72 1.379(9) .
C67 C68 1.400(10) .
C68 C69 1.406(10) .
C68 H68 0.9300 .
C69 C70 1.355(11) .
C69 H69 0.9300 .
C70 C71 1.374(11) .
C70 H70 0.9300 .
C71 C72 1.380(10) .
C71 H71 0.9300 .
C72 H72 0.9300 .
C73 O7 1.328(8) .
C73 C78 1.383(9) .
C73 C74 1.422(10) .
C74 C75 1.410(10) .
C74 H74 0.9300 .
C75 C76 1.385(9) .
C75 H75 0.9300 .
C76 C77 1.367(10) .
C76 H76 0.9300 .
C77 C78 1.394(10) .
C77 H77 0.9300 .
C78 C79 1.496(10) .
C79 N7 1.304(9) .
C79 H79 0.9300 .
C80 C81 1.487(10) .
C80 N7 1.518(9) .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 N8 1.470(8) .
C81 H81A 0.9700 .
C81 H81B 0.9700 .
C82 N8 1.371(9) .
C82 C83 1.487(9) .
C82 H82 0.9300 .
C83 C88 1.392(10) .
C83 C84 1.416(10) .
C84 C85 1.373(9) .
C84 H84 0.9300 .
C85 C86 1.385(10) .
C85 H85 0.9300 .
C86 C87 1.353(10) .
C86 H86 0.9300 .
C87 C88 1.378(9) .
C87 H87 0.9300 .
C88 O8 1.380(8) .
C89 N9 1.119(9) .
C89 Ru2 2.091(9) 1_554
C90 N10 1.153(9) .
C90 Ru1 2.039(7) .
C91 N11 1.139(8) .
C91 Ru1 2.189(7) .
C92 N12 1.179(9) .
C92 Ru2 2.020(8) .
C93 O9 1.335(8) .
C93 C94 1.408(9) .
C93 C98 1.412(10) .
C94 C95 1.412(9) .
C94 H94 0.9300 .
C95 C96 1.414(9) .
C95 H95 0.9300 .
C96 C97 1.391(9) .
C96 H96 0.9300 .
C97 C98 1.368(10) .
C97 H97 0.9300 .
C98 C99 1.467(10) .
C99 N13 1.355(9) .
C99 H99 0.9300 .
C100 N13 1.465(8) .
C100 C109 1.501(9) .
C100 C101 1.534(10) .
C100 H100 0.9800 .
C101 N14 1.490(9) .
C101 C115 1.562(10) .
C101 H101 0.9800 .
C102 N14 1.321(9) .
C102 C103 1.458(10) .
C102 H102 0.9300 .
C103 C104 1.379(10) .
C103 C108 1.405(9) .
C104 C105 1.411(9) .
C104 H104 0.9300 .
C105 C106 1.368(9) .
C105 H105 0.9300 .
C106 C107 1.416(10) .
C106 H106 0.9300 .
C107 C108 1.353(9) .
C107 H107 0.9300 .
C108 O10 1.362(8) .
C109 C110 1.374(10) .
C109 C114 1.390(10) .
C110 C111 1.396(10) .
C110 H110 0.9300 .
C111 C112 1.396(11) .
C111 H111 0.9300 .
C112 C113 1.381(11) .
C112 H112 0.9300 .
C113 C114 1.419(10) .
C113 H113 0.9300 .
C114 H114 0.9300 .
C115 C116 1.311(12) .
C115 C120 1.386(10) .
C116 C117 1.363(10) .
C116 H116 0.9300 .
C117 C118 1.406(11) .
C117 H117 0.9300 .
C118 C119 1.351(13) .
C118 H118 0.9300 .
C119 C120 1.408(11) .
C119 H119 0.9300 .
C120 H120 0.9300 .
C121 O11 1.337(8) .
C121 C122 1.359(10) .
C121 C126 1.392(9) .
C122 C123 1.372(10) .
C122 H122 0.9300 .
C123 C124 1.426(10) .
C123 H123 0.9300 .
C124 C125 1.374(10) .
C124 H124 0.9300 .
C125 C126 1.384(9) .
C125 H125 0.9300 .
C126 C127 1.466(10) .
C127 N15 1.317(9) .
C127 H127 0.9300 .
C128 N15 1.411(9) .
C128 C129 1.464(10) .
C128 H12A 0.9700 .
C128 H12B 0.9700 .
C129 N16 1.418(8) .
C129 H12C 0.9700 .
C129 H12D 0.9700 .
C130 N16 1.362(9) .
C130 C131 1.469(9) .
C130 H130 0.9300 .
C131 C132 1.372(10) .
C131 C136 1.451(10) .
C132 C133 1.400(9) .
C132 H132 0.9300 .
C133 C134 1.367(10) .
C133 H133 0.9300 .
C134 C135 1.407(9) .
C134 H134 0.9300 .
C135 C136 1.411(9) .
C135 H135 0.9300 .
C136 O12 1.275(8) .
C137 O13 1.297(8) .
C137 C142 1.405(9) .
C137 C138 1.422(10) .
C138 C139 1.399(9) .
C138 H138 0.9300 .
C139 C140 1.367(8) .
C139 H139 0.9300 .
C140 C141 1.405(9) .
C140 H140 0.9300 .
C141 C142 1.405(11) .
C141 H141 0.9300 .
C142 C143 1.421(10) .
C143 N17 1.335(9) .
C143 H143 0.9300 .
C144 C145 1.473(10) .
C144 N17 1.508(8) .
C144 C153 1.518(9) .
C144 H144 0.9800 .
C145 N18 1.456(8) .
C145 C159 1.541(9) .
C145 H145 0.9800 .
C146 N18 1.346(9) .
C146 C147 1.422(8) .
C146 H146 0.9300 .
C147 C148 1.384(9) .
C147 C152 1.415(9) .
C148 C149 1.395(9) .
C148 H148 0.9300 .
C149 C150 1.366(9) .
C149 H149 0.9300 .
C150 C151 1.414(10) .
C150 H150 0.9300 .
C151 C152 1.339(8) .
C151 H151 0.9300 .
C152 O14 1.386(8) .
C153 C154 1.350(11) .
C153 C158 1.369(11) .
C154 C155 1.382(9) .
C154 H154 0.9300 .
C155 C156 1.406(10) .
C155 H155 0.9300 .
C156 C157 1.360(10) .
C156 H156 0.9300 .
C157 C158 1.461(9) .
C157 H157 0.9300 .
C158 H158 0.9300 .
C159 C160 1.365(10) .
C159 C164 1.421(10) .
C160 C161 1.365(10) .
C160 H160 0.9300 .
C161 C162 1.403(11) .
C161 H161 0.9300 .
C162 C163 1.399(11) .
C162 H162 0.9300 .
C163 C164 1.408(9) .
C163 H163 0.9300 .
C164 H164 0.9300 .
C165 O15 1.307(10) .
C165 C170 1.390(12) .
C165 C166 1.412(13) .
C166 C167 1.388(13) .
C166 H166 0.9300 .
C167 C168 1.379(13) .
C167 H167 0.9300 .
C168 C169 1.430(13) .
C168 H168 0.9300 .
C169 C170 1.363(12) .
C169 H169 0.9300 .
C170 C171 1.472(12) .
C171 N19 1.332(10) .
C171 H171 0.9300 .
C172 N19 1.458(9) .
C172 C173 1.513(11) .
C172 H17A 0.9700 .
C172 H17B 0.9700 .
C173 N20 1.491(10) .
C173 H17C 0.9700 .
C173 H17D 0.9700 .
C174 N20 1.315(9) .
C174 C175 1.463(11) .
C174 H174 0.9300 .
C175 C180 1.370(10) .
C175 C176 1.394(10) .
C176 C177 1.402(11) .
C176 H176 0.9300 .
C177 C178 1.359(10) .
C177 H177 0.9300 .
C178 C179 1.377(10) .
C178 H178 0.9300 .
C179 C180 1.433(10) .
C179 H179 0.9300 .
C180 O16 1.302(8) .
C181 N21 1.176(10) .
C181 Ru4 1.779(8) 1_554
C182 N22 1.202(9) .
C182 Ru3 2.033(7) .
C183 N23 1.161(9) .
C183 Ru3 2.045(8) .
C184 N24 1.161(9) .
C184 Ru4 2.452(8) .
Mn1 O2 2.055(5) .
Mn1 N2 2.055(5) .
Mn1 N1 2.055(5) .
Mn1 O1 2.060(4) .
Mn1 N10 2.308(6) .
Mn1 N9 2.312(7) .
Mn2 O5 2.002(5) .
Mn2 N5 2.028(5) .
Mn2 O6 2.044(4) .
Mn2 N6 2.049(6) .
Mn2 N11 2.255(5) .
Mn2 N12 2.331(6) .
Mn3 O14 1.858(4) .
Mn3 O13 1.935(4) .
Mn3 N18 2.024(6) .
Mn3 N17 2.034(5) .
Mn3 N23 2.366(6) .
Mn3 N24 2.375(6) .
Mn4 O10 2.007(5) .
Mn4 N14 2.012(6) .
Mn4 O9 2.034(4) .
Mn4 N13 2.039(6) .
Mn4 N21 2.272(6) .
Mn4 N22 2.290(6) .
N3 Ru1 2.080(5) .
N4 Ru1 2.036(5) .
N7 Ru2 2.026(6) .
N8 Ru2 2.030(5) .
N15 Ru3 2.039(5) .
N16 Ru3 2.118(6) .
N19 Ru4 1.914(6) .
N20 Ru4 2.063(6) .
O3 Ru1 2.068(4) .
O4 Ru1 2.070(4) .
O7 Ru2 2.051(5) .
O8 Ru2 2.020(4) .
O11 Ru3 2.053(5) .
O12 Ru3 2.072(4) .
O15 Ru4 2.038(5) .
O16 Ru4 2.225(5) .
Ru2 C89 2.092(9) 1_556
Ru4 C181 1.779(8) 1_556
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 170.7(7) . .
C6 C1 C2 C3 2.1(11) . .
C1 C2 C3 C4 -3.4(11) . .
C2 C3 C4 C5 4.1(12) . .
C3 C4 C5 C6 -3.5(13) . .
C4 C5 C6 C7 172.1(7) . .
C4 C5 C6 C1 2.2(12) . .
O1 C1 C6 C5 -169.7(7) . .
C2 C1 C6 C5 -1.5(11) . .
O1 C1 C6 C7 20.7(11) . .
C2 C1 C6 C7 -171.1(7) . .
C5 C6 C7 N1 -176.2(8) . .
C1 C6 C7 N1 -6.7(12) . .
N1 C8 C9 N2 70.5(6) . .
C17 C8 C9 N2 -167.6(6) . .
N1 C8 C9 C23 -178.5(6) . .
C17 C8 C9 C23 -56.6(9) . .
N2 C10 C11 C16 -4.2(13) . .
N2 C10 C11 C12 173.6(7) . .
C16 C11 C12 C13 1.5(11) . .
C10 C11 C12 C13 -176.4(6) . .
C11 C12 C13 C14 -0.7(11) . .
C12 C13 C14 C15 -0.4(11) . .
C13 C14 C15 C16 0.8(11) . .
C12 C11 C16 O2 172.5(7) . .
C10 C11 C16 O2 -9.7(11) . .
C12 C11 C16 C15 -1.1(11) . .
C10 C11 C16 C15 176.7(7) . .
C14 C15 C16 O2 -173.9(7) . .
C14 C15 C16 C11 0.0(11) . .
C9 C8 C17 C22 -40.1(9) . .
N1 C8 C17 C22 77.4(8) . .
C9 C8 C17 C18 143.4(7) . .
N1 C8 C17 C18 -99.1(8) . .
C22 C17 C18 C19 0.5(11) . .
C8 C17 C18 C19 176.9(7) . .
C17 C18 C19 C20 -0.2(11) . .
C18 C19 C20 C21 -0.1(11) . .
C19 C20 C21 C22 0.1(10) . .
C18 C17 C22 C21 -0.5(11) . .
C8 C17 C22 C21 -177.0(6) . .
C20 C21 C22 C17 0.2(10) . .
N2 C9 C23 C24 -110.3(8) . .
C8 C9 C23 C24 140.2(8) . .
N2 C9 C23 C28 63.4(8) . .
C8 C9 C23 C28 -46.2(9) . .
C28 C23 C24 C25 4.9(11) . .
C9 C23 C24 C25 178.6(6) . .
C23 C24 C25 C26 -2.5(11) . .
C24 C25 C26 C27 -0.6(11) . .
C25 C26 C27 C28 1.2(12) . .
C26 C27 C28 C23 1.3(11) . .
C24 C23 C28 C27 -4.4(11) . .
C9 C23 C28 C27 -178.0(6) . .
O3 C29 C30 C31 179.8(7) . .
C34 C29 C30 C31 -6.3(12) . .
C29 C30 C31 C32 6.1(12) . .
C30 C31 C32 C33 -2.0(12) . .
C31 C32 C33 C34 -2.0(11) . .
O3 C29 C34 C33 175.3(7) . .
C30 C29 C34 C33 2.4(11) . .
O3 C29 C34 C35 -3.4(13) . .
C30 C29 C34 C35 -176.4(7) . .
C32 C33 C34 C29 1.8(11) . .
C32 C33 C34 C35 -179.3(7) . .
C29 C34 C35 N3 -6.0(14) . .
C33 C34 C35 N3 175.3(8) . .
N3 C36 C37 N4 54.7(7) . .
N4 C38 C39 C44 -20.4(11) . .
N4 C38 C39 C40 176.9(6) . .
C44 C39 C40 C41 1.3(11) . .
C38 C39 C40 C41 165.7(6) . .
C39 C40 C41 C42 0.0(11) . .
C40 C41 C42 C43 -0.9(11) . .
C41 C42 C43 C44 0.4(11) . .
C40 C39 C44 O4 173.6(7) . .
C38 C39 C44 O4 12.7(12) . .
C40 C39 C44 C43 -1.7(10) . .
C38 C39 C44 C43 -162.6(7) . .
C42 C43 C44 O4 -174.8(6) . .
C42 C43 C44 C39 0.9(10) . .
C50 C45 C46 C47 1.1(11) . .
O5 C45 C46 C47 179.3(6) . .
C45 C46 C47 C48 1.4(11) . .
C46 C47 C48 C49 -1.4(11) . .
C47 C48 C49 C50 -1.0(11) . .
C46 C45 C50 C49 -3.5(11) . .
O5 C45 C50 C49 178.4(6) . .
C46 C45 C50 C51 -178.4(7) . .
O5 C45 C50 C51 3.5(11) . .
C48 C49 C50 C45 3.4(10) . .
C48 C49 C50 C51 178.8(7) . .
C45 C50 C51 N5 -7.1(12) . .
C49 C50 C51 N5 177.8(7) . .
N5 C52 C53 N6 45.5(8) . .
C61 C52 C53 N6 173.5(5) . .
N5 C52 C53 C67 168.2(6) . .
C61 C52 C53 C67 -63.8(7) . .
N6 C54 C55 C56 175.8(7) . .
N6 C54 C55 C60 -3.0(12) . .
C60 C55 C56 C57 -3.0(10) . .
C54 C55 C56 C57 178.1(6) . .
C55 C56 C57 C58 1.5(10) . .
C56 C57 C58 C59 -0.6(10) . .
C57 C58 C59 C60 1.2(10) . .
C58 C59 C60 O6 176.8(6) . .
C58 C59 C60 C55 -2.7(10) . .
C56 C55 C60 O6 -175.9(6) . .
C54 C55 C60 O6 2.9(10) . .
C56 C55 C60 C59 3.7(10) . .
C54 C55 C60 C59 -177.6(6) . .
N5 C52 C61 C62 -104.8(8) . .
C53 C52 C61 C62 130.7(6) . .
N5 C52 C61 C66 75.2(9) . .
C53 C52 C61 C66 -49.3(9) . .
C66 C61 C62 C63 -2.4(10) . .
C52 C61 C62 C63 177.6(6) . .
C61 C62 C63 C64 4.2(10) . .
C62 C63 C64 C65 -4.1(12) . .
C63 C64 C65 C66 2.0(12) . .
C64 C65 C66 C61 0.1(12) . .
C62 C61 C66 C65 0.2(12) . .
C52 C61 C66 C65 -179.8(7) . .
N6 C53 C67 C72 -108.4(7) . .
C52 C53 C67 C72 132.1(7) . .
N6 C53 C67 C68 73.0(8) . .
C52 C53 C67 C68 -46.5(9) . .
C72 C67 C68 C69 2.4(10) . .
C53 C67 C68 C69 -179.0(6) . .
C67 C68 C69 C70 -1.0(10) . .
C68 C69 C70 C71 -1.8(10) . .
C69 C70 C71 C72 2.9(11) . .
C68 C67 C72 C71 -1.2(10) . .
C53 C67 C72 C71 -179.9(6) . .
C70 C71 C72 C67 -1.3(11) . .
O7 C73 C74 C75 179.5(6) . .
C78 C73 C74 C75 2.4(10) . .
C73 C74 C75 C76 -1.1(10) . .
C74 C75 C76 C77 1.5(11) . .
C75 C76 C77 C78 -3.3(11) . .
O7 C73 C78 C77 179.4(7) . .
C74 C73 C78 C77 -4.2(10) . .
O7 C73 C78 C79 7.1(11) . .
C74 C73 C78 C79 -176.4(6) . .
C76 C77 C78 C73 4.7(11) . .
C76 C77 C78 C79 176.9(7) . .
C73 C78 C79 N7 -17.7(11) . .
C77 C78 C79 N7 170.1(7) . .
N7 C80 C81 N8 40.9(7) . .
N8 C82 C83 C88 -22.0(12) . .
N8 C82 C83 C84 173.5(7) . .
C88 C83 C84 C85 -0.4(12) . .
C82 C83 C84 C85 165.9(7) . .
C83 C84 C85 C86 -1.1(12) . .
C84 C85 C86 C87 3.5(12) . .
C85 C86 C87 C88 -4.4(12) . .
C86 C87 C88 O8 -179.9(7) . .
C86 C87 C88 C83 3.0(11) . .
C84 C83 C88 C87 -0.5(11) . .
C82 C83 C88 C87 -164.2(7) . .
C84 C83 C88 O8 -177.2(7) . .
C82 C83 C88 O8 19.1(13) . .
O9 C93 C94 C95 -173.2(6) . .
C98 C93 C94 C95 5.5(10) . .
C93 C94 C95 C96 -4.8(10) . .
C94 C95 C96 C97 2.7(10) . .
C95 C96 C97 C98 -1.4(11) . .
C96 C97 C98 C93 2.2(11) . .
C96 C97 C98 C99 172.9(7) . .
O9 C93 C98 C97 174.4(7) . .
C94 C93 C98 C97 -4.1(11) . .
O9 C93 C98 C99 3.8(12) . .
C94 C93 C98 C99 -174.8(6) . .
C97 C98 C99 N13 175.7(7) . .
C93 C98 C99 N13 -13.3(13) . .
N13 C100 C101 N14 46.7(8) . .
C109 C100 C101 N14 158.5(6) . .
N13 C100 C101 C115 167.2(6) . .
C109 C100 C101 C115 -81.0(7) . .
N14 C102 C103 C104 175.4(7) . .
N14 C102 C103 C108 -12.9(12) . .
C108 C103 C104 C105 -1.0(11) . .
C102 C103 C104 C105 171.3(7) . .
C103 C104 C105 C106 2.8(11) . .
C104 C105 C106 C107 -2.0(10) . .
C105 C106 C107 C108 -0.8(11) . .
C106 C107 C108 O10 -177.6(6) . .
C106 C107 C108 C103 2.7(11) . .
C104 C103 C108 C107 -1.9(10) . .
C102 C103 C108 C107 -173.4(7) . .
C104 C103 C108 O10 178.5(6) . .
C102 C103 C108 O10 7.0(11) . .
N13 C100 C109 C110 -133.6(7) . .
C101 C100 C109 C110 113.1(7) . .
N13 C100 C109 C114 45.6(8) . .
C101 C100 C109 C114 -67.8(7) . .
C114 C109 C110 C111 0.8(11) . .
C100 C109 C110 C111 179.9(7) . .
C109 C110 C111 C112 -2.4(11) . .
C110 C111 C112 C113 2.1(11) . .
C111 C112 C113 C114 -0.2(11) . .
C110 C109 C114 C113 1.3(10) . .
C100 C109 C114 C113 -177.9(6) . .
C112 C113 C114 C109 -1.5(10) . .
N14 C101 C115 C116 59.3(9) . .
C100 C101 C115 C116 -62.5(9) . .
N14 C101 C115 C120 -115.4(8) . .
C100 C101 C115 C120 122.9(8) . .
C120 C115 C116 C117 4.7(15) . .
C101 C115 C116 C117 -169.7(8) . .
C115 C116 C117 C118 -11.8(14) . .
C116 C117 C118 C119 12.2(15) . .
C117 C118 C119 C120 -4.9(16) . .
C116 C115 C120 C119 2.9(13) . .
C101 C115 C120 C119 177.0(8) . .
C118 C119 C120 C115 -2.6(14) . .
O11 C121 C122 C123 -178.6(7) . .
C126 C121 C122 C123 5.8(12) . .
C121 C122 C123 C124 -3.2(12) . .
C122 C123 C124 C125 1.0(12) . .
C123 C124 C125 C126 -1.3(11) . .
C124 C125 C126 C121 3.7(11) . .
C124 C125 C126 C127 -173.0(7) . .
O11 C121 C126 C125 179.1(7) . .
C122 C121 C126 C125 -5.9(11) . .
O11 C121 C126 C127 -4.8(13) . .
C122 C121 C126 C127 170.1(7) . .
C125 C126 C127 N15 -167.9(7) . .
C121 C126 C127 N15 15.9(12) . .
N15 C128 C129 N16 -52.9(8) . .
N16 C130 C131 C132 173.5(7) . .
N16 C130 C131 C136 -2.3(13) . .
C136 C131 C132 C133 -0.1(11) . .
C130 C131 C132 C133 -176.5(7) . .
C131 C132 C133 C134 1.1(12) . .
C132 C133 C134 C135 1.1(12) . .
C133 C134 C135 C136 -4.1(11) . .
C134 C135 C136 O12 173.3(7) . .
C134 C135 C136 C131 5.1(11) . .
C132 C131 C136 O12 -171.4(6) . .
C130 C131 C136 O12 4.3(12) . .
C132 C131 C136 C135 -3.0(11) . .
C130 C131 C136 C135 172.7(7) . .
O13 C137 C138 C139 174.3(6) . .
C142 C137 C138 C139 2.5(11) . .
C137 C138 C139 C140 -2.7(11) . .
C138 C139 C140 C141 2.7(10) . .
C139 C140 C141 C142 -2.5(11) . .
C140 C141 C142 C137 2.4(11) . .
C140 C141 C142 C143 177.5(7) . .
O13 C137 C142 C141 -173.1(7) . .
C138 C137 C142 C141 -2.4(11) . .
O13 C137 C142 C143 12.0(12) . .
C138 C137 C142 C143 -177.2(7) . .
C141 C142 C143 N17 169.3(7) . .
C137 C142 C143 N17 -15.7(12) . .
N17 C144 C145 N18 42.4(8) . .
C153 C144 C145 N18 174.3(7) . .
N17 C144 C145 C159 -179.3(6) . .
C153 C144 C145 C159 -47.3(10) . .
N18 C146 C147 C148 170.9(7) . .
N18 C146 C147 C152 -16.1(11) . .
C152 C147 C148 C149 -0.6(10) . .
C146 C147 C148 C149 172.9(7) . .
C147 C148 C149 C150 1.4(11) . .
C148 C149 C150 C151 -2.2(11) . .
C149 C150 C151 C152 2.2(11) . .
C150 C151 C152 O14 179.8(6) . .
C150 C151 C152 C147 -1.5(10) . .
C148 C147 C152 C151 0.6(10) . .
C146 C147 C152 C151 -172.3(6) . .
C148 C147 C152 O14 179.2(6) . .
C146 C147 C152 O14 6.2(11) . .
C145 C144 C153 C154 128.6(9) . .
N17 C144 C153 C154 -102.1(8) . .
C145 C144 C153 C158 -52.9(11) . .
N17 C144 C153 C158 76.5(9) . .
C158 C153 C154 C155 2.3(12) . .
C144 C153 C154 C155 -179.3(6) . .
C153 C154 C155 C156 -0.9(11) . .
C154 C155 C156 C157 -0.9(11) . .
C155 C156 C157 C158 1.3(11) . .
C154 C153 C158 C157 -1.8(12) . .
C144 C153 C158 C157 179.7(6) . .
C156 C157 C158 C153 0.0(10) . .
N18 C145 C159 C160 -102.6(8) . .
C144 C145 C159 C160 119.2(8) . .
N18 C145 C159 C164 76.6(8) . .
C144 C145 C159 C164 -61.6(8) . .
C164 C159 C160 C161 2.7(11) . .
C145 C159 C160 C161 -178.1(6) . .
C159 C160 C161 C162 -2.8(11) . .
C160 C161 C162 C163 0.9(11) . .
C161 C162 C163 C164 1.2(10) . .
C162 C163 C164 C159 -1.2(10) . .
C160 C159 C164 C163 -0.8(10) . .
C145 C159 C164 C163 180.0(6) . .
O15 C165 C166 C167 -179.3(9) . .
C170 C165 C166 C167 2.5(15) . .
C165 C166 C167 C168 -2.6(16) . .
C166 C167 C168 C169 1.2(16) . .
C167 C168 C169 C170 0.4(15) . .
C168 C169 C170 C165 -0.3(17) . .
C168 C169 C170 C171 176.6(9) . .
O15 C165 C170 C169 -179.3(10) . .
C166 C165 C170 C169 -1.1(17) . .
O15 C165 C170 C171 4.3(18) . .
C166 C165 C170 C171 -177.5(10) . .
C169 C170 C171 N19 -176.6(9) . .
C165 C170 C171 N19 0.2(17) . .
N19 C172 C173 N20 -57.8(8) . .
N20 C174 C175 C180 -6.9(12) . .
N20 C174 C175 C176 178.2(8) . .
C180 C175 C176 C177 0.0(12) . .
C174 C175 C176 C177 174.9(7) . .
C175 C176 C177 C178 -0.9(12) . .
C176 C177 C178 C179 0.3(13) . .
C177 C178 C179 C180 1.2(13) . .
C176 C175 C180 O16 -174.0(7) . .
C174 C175 C180 O16 11.3(12) . .
C176 C175 C180 C179 1.5(12) . .
C174 C175 C180 C179 -173.2(7) . .
C178 C179 C180 O16 174.1(7) . .
C178 C179 C180 C175 -2.1(12) . .
C6 C7 N1 C8 177.5(7) . .
C6 C7 N1 Mn1 8.1(11) . .
C9 C8 N1 C7 135.0(8) . .
C17 C8 N1 C7 12.7(11) . .
C9 C8 N1 Mn1 -53.9(6) . .
C17 C8 N1 Mn1 -176.2(5) . .
O2 Mn1 N1 C7 -180(100) . .
N2 Mn1 N1 C7 -167.9(6) . .
O1 Mn1 N1 C7 -14.5(6) . .
N10 Mn1 N1 C7 -82.5(6) . .
N9 Mn1 N1 C7 101.5(6) . .
O2 Mn1 N1 C8 8(3) . .
N2 Mn1 N1 C8 20.0(4) . .
O1 Mn1 N1 C8 173.3(4) . .
N10 Mn1 N1 C8 105.3(4) . .
N9 Mn1 N1 C8 -70.7(4) . .
C11 C10 N2 C9 168.5(8) . .
C11 C10 N2 Mn1 4.0(11) . .
C8 C9 N2 C10 144.2(7) . .
C23 C9 N2 C10 24.9(10) . .
C8 C9 N2 Mn1 -49.9(5) . .
C23 C9 N2 Mn1 -169.2(4) . .
O2 Mn1 N2 C10 4.4(5) . .
N1 Mn1 N2 C10 -174.5(5) . .
O1 Mn1 N2 C10 112.8(6) . .
N10 Mn1 N2 C10 97.0(5) . .
N9 Mn1 N2 C10 -87.0(5) . .
O2 Mn1 N2 C9 -164.0(4) . .
N1 Mn1 N2 C9 17.1(4) . .
O1 Mn1 N2 C9 -55.6(7) . .
N10 Mn1 N2 C9 -71.4(4) . .
N9 Mn1 N2 C9 104.7(4) . .
C34 C35 N3 C36 173.7(7) . .
C34 C35 N3 Ru1 0.9(11) . .
C37 C36 N3 C35 146.9(8) . .
C37 C36 N3 Ru1 -39.8(7) . .
C39 C38 N4 C37 173.5(6) . .
C39 C38 N4 Ru1 2.6(9) . .
C36 C37 N4 C38 142.0(6) . .
C36 C37 N4 Ru1 -45.7(6) . .
C50 C51 N5 C52 174.2(7) . .
C50 C51 N5 Mn2 8.0(11) . .
C61 C52 N5 C51 39.3(10) . .
C53 C52 N5 C51 160.0(7) . .
C61 C52 N5 Mn2 -152.3(5) . .
C53 C52 N5 Mn2 -31.6(7) . .
O5 Mn2 N5 C51 -4.9(6) . .
O6 Mn2 N5 C51 140(3) . .
N6 Mn2 N5 C51 175.7(7) . .
N11 Mn2 N5 C51 87.1(6) . .
N12 Mn2 N5 C51 -99.8(6) . .
O5 Mn2 N5 C52 -172.5(5) . .
O6 Mn2 N5 C52 -27(4) . .
N6 Mn2 N5 C52 8.1(5) . .
N11 Mn2 N5 C52 -80.6(5) . .
N12 Mn2 N5 C52 92.6(5) . .
C55 C54 N6 C53 164.4(7) . .
C55 C54 N6 Mn2 -1.2(10) . .
C52 C53 N6 C54 155.9(7) . .
C67 C53 N6 C54 31.5(9) . .
C52 C53 N6 Mn2 -37.6(6) . .
C67 C53 N6 Mn2 -162.1(4) . .
O5 Mn2 N6 C54 179(100) . .
N5 Mn2 N6 C54 -174.2(5) . .
O6 Mn2 N6 C54 3.6(5) . .
N11 Mn2 N6 C54 -85.2(5) . .
N12 Mn2 N6 C54 89.8(5) . .
O5 Mn2 N6 C53 11(3) . .
N5 Mn2 N6 C53 17.9(4) . .
O6 Mn2 N6 C53 -164.3(4) . .
N11 Mn2 N6 C53 106.9(4) . .
N12 Mn2 N6 C53 -78.1(4) . .
C78 C79 N7 C80 -178.3(6) . .
C78 C79 N7 Ru2 -1.8(11) . .
C81 C80 N7 C79 141.9(7) . .
C81 C80 N7 Ru2 -35.1(7) . .
C83 C82 N8 C81 -177.9(6) . .
C83 C82 N8 Ru2 -0.5(10) . .
C80 C81 N8 C82 147.8(6) . .
C80 C81 N8 Ru2 -29.8(7) . .
Ru2 C89 N9 Mn1 55(6) 1_554 .
O2 Mn1 N9 C89 -28(4) . .
N2 Mn1 N9 C89 64(4) . .
N1 Mn1 N9 C89 147(4) . .
O1 Mn1 N9 C89 -126(4) . .
N10 Mn1 N9 C89 105(4) . .
Ru1 C90 N10 Mn1 33(9) . .
O2 Mn1 N10 C90 -134(2) . .
N2 Mn1 N10 C90 135(2) . .
N1 Mn1 N10 C90 51(2) . .
O1 Mn1 N10 C90 -37(2) . .
N9 Mn1 N10 C90 94(3) . .
Ru1 C91 N11 Mn2 9(5) . .
O5 Mn2 N11 C91 48.5(11) . .
N5 Mn2 N11 C91 -42.4(11) . .
O6 Mn2 N11 C91 140.7(11) . .
N6 Mn2 N11 C91 -126.9(11) . .
N12 Mn2 N11 C91 -164.9(13) . .
Ru2 C92 N12 Mn2 99(25) . .
O5 Mn2 N12 C92 140.8(10) . .
N5 Mn2 N12 C92 -127.8(10) . .
O6 Mn2 N12 C92 48.8(10) . .
N6 Mn2 N12 C92 -43.9(10) . .
N11 Mn2 N12 C92 -6(2) . .
C98 C99 N13 C100 164.3(8) . .
C98 C99 N13 Mn4 15.8(10) . .
C109 C100 N13 C99 64.0(8) . .
C101 C100 N13 C99 173.1(6) . .
C109 C100 N13 Mn4 -145.3(4) . .
C101 C100 N13 Mn4 -36.2(6) . .
O10 Mn4 N13 C99 -132.0(13) . .
N14 Mn4 N13 C99 169.0(5) . .
O9 Mn4 N13 C99 -8.2(5) . .
N21 Mn4 N13 C99 80.7(5) . .
N22 Mn4 N13 C99 -103.2(5) . .
O10 Mn4 N13 C100 74.2(15) . .
N14 Mn4 N13 C100 15.2(5) . .
O9 Mn4 N13 C100 -161.9(4) . .
N21 Mn4 N13 C100 -73.0(4) . .
N22 Mn4 N13 C100 103.1(5) . .
C103 C102 N14 C101 171.6(7) . .
C103 C102 N14 Mn4 3.1(11) . .
C100 C101 N14 C102 156.5(7) . .
C115 C101 N14 C102 36.3(9) . .
C100 C101 N14 Mn4 -33.1(7) . .
C115 C101 N14 Mn4 -153.3(5) . .
O10 Mn4 N14 C102 7.0(6) . .
O9 Mn4 N14 C102 -113(4) . .
N13 Mn4 N14 C102 -180.0(6) . .
N21 Mn4 N14 C102 -90.6(6) . .
N22 Mn4 N14 C102 94.8(6) . .
O10 Mn4 N14 C101 -163.0(5) . .
O9 Mn4 N14 C101 77(4) . .
N13 Mn4 N14 C101 10.0(5) . .
N21 Mn4 N14 C101 99.5(5) . .
N22 Mn4 N14 C101 -75.1(5) . .
C126 C127 N15 C128 -176.5(6) . .
C126 C127 N15 Ru3 -1.4(10) . .
C129 C128 N15 C127 -141.0(7) . .
C129 C128 N15 Ru3 43.2(6) . .
C131 C130 N16 C129 178.0(8) . .
C131 C130 N16 Ru3 18.3(10) . .
C128 C129 N16 C130 -124.6(9) . .
C128 C129 N16 Ru3 36.4(7) . .
C142 C143 N17 C144 178.1(7) . .
C142 C143 N17 Mn3 -0.7(10) . .
C145 C144 N17 C143 142.7(6) . .
C153 C144 N17 C143 0.9(10) . .
C145 C144 N17 Mn3 -38.5(6) . .
C153 C144 N17 Mn3 179.8(5) . .
O14 Mn3 N17 C143 -156(3) . .
O13 Mn3 N17 C143 14.0(5) . .
N18 Mn3 N17 C143 -160.8(6) . .
N23 Mn3 N17 C143 108.3(5) . .
N24 Mn3 N17 C143 -73.2(5) . .
O14 Mn3 N17 C144 25(3) . .
O13 Mn3 N17 C144 -164.8(5) . .
N18 Mn3 N17 C144 20.3(5) . .
N23 Mn3 N17 C144 -70.6(5) . .
N24 Mn3 N17 C144 107.9(5) . .
C147 C146 N18 C145 -170.5(7) . .
C147 C146 N18 Mn3 7.7(10) . .
C144 C145 N18 C146 150.2(7) . .
C159 C145 N18 C146 10.7(10) . .
C144 C145 N18 Mn3 -28.3(7) . .
C159 C145 N18 Mn3 -167.7(5) . .
O14 Mn3 N18 C146 5.6(6) . .
O13 Mn3 N18 C146 150.8(12) . .
N17 Mn3 N18 C146 -174.7(6) . .
N23 Mn3 N18 C146 -85.5(6) . .
N24 Mn3 N18 C146 95.7(6) . .
O14 Mn3 N18 C145 -175.9(5) . .
O13 Mn3 N18 C145 -30.8(17) . .
N17 Mn3 N18 C145 3.7(5) . .
N23 Mn3 N18 C145 92.9(5) . .
N24 Mn3 N18 C145 -85.8(5) . .
C170 C171 N19 C172 -162.1(8) . .
C170 C171 N19 Ru4 1.2(12) . .
C173 C172 N19 C171 -147.8(8) . .
C173 C172 N19 Ru4 46.6(8) . .
C175 C174 N20 C173 -161.0(7) . .
C175 C174 N20 Ru4 20.1(12) . .
C172 C173 N20 C174 -140.2(7) . .
C172 C173 N20 Ru4 38.9(6) . .
Ru4 C181 N21 Mn4 -71(3) 1_554 .
O10 Mn4 N21 C181 139.1(18) . .
N14 Mn4 N21 C181 -131.4(18) . .
O9 Mn4 N21 C181 47.4(18) . .
N13 Mn4 N21 C181 -45.4(18) . .
N22 Mn4 N21 C181 -80(3) . .
Ru3 C182 N22 Mn4 162(41) . .
O10 Mn4 N22 C182 15.9(11) . .
N14 Mn4 N22 C182 -73.9(11) . .
O9 Mn4 N22 C182 107.6(11) . .
N13 Mn4 N22 C182 -160.1(11) . .
N21 Mn4 N22 C182 -125.9(18) . .
Ru3 C183 N23 Mn3 44(5) . .
O14 Mn3 N23 C183 -53.8(15) . .
O13 Mn3 N23 C183 -147.0(14) . .
N18 Mn3 N23 C183 40.6(15) . .
N17 Mn3 N23 C183 121.6(15) . .
N24 Mn3 N23 C183 77(6) . .
Ru4 C184 N24 Mn3 75(10) . .
O14 Mn3 N24 C184 176(9) . .
O13 Mn3 N24 C184 -91(9) . .
N18 Mn3 N24 C184 82(9) . .
N17 Mn3 N24 C184 1(9) . .
N23 Mn3 N24 C184 45(12) . .
C2 C1 O1 Mn1 155.5(5) . .
C6 C1 O1 Mn1 -36.1(9) . .
O2 Mn1 O1 C1 -152.3(5) . .
N2 Mn1 O1 C1 100.8(7) . .
N1 Mn1 O1 C1 29.1(6) . .
N10 Mn1 O1 C1 117.8(6) . .
N9 Mn1 O1 C1 -57.1(6) . .
C11 C16 O2 Mn1 22.2(10) . .
C15 C16 O2 Mn1 -164.1(5) . .
N2 Mn1 O2 C16 -17.9(6) . .
N1 Mn1 O2 C16 -6(3) . .
O1 Mn1 O2 C16 -171.2(6) . .
N10 Mn1 O2 C16 -103.1(6) . .
N9 Mn1 O2 C16 72.5(6) . .
C34 C29 O3 Ru1 14.3(10) . .
C30 C29 O3 Ru1 -172.1(5) . .
C39 C44 O4 Ru1 12.0(10) . .
C43 C44 O4 Ru1 -172.6(4) . .
C46 C45 O5 Mn2 -179.7(5) . .
C50 C45 O5 Mn2 -1.5(10) . .
N5 Mn2 O5 C45 1.6(6) . .
O6 Mn2 O5 C45 -176.2(6) . .
N6 Mn2 O5 C45 9(3) . .
N11 Mn2 O5 C45 -87.3(6) . .
N12 Mn2 O5 C45 97.1(6) . .
C59 C60 O6 Mn2 -178.4(4) . .
C55 C60 O6 Mn2 1.2(9) . .
O5 Mn2 O6 C60 176.4(5) . .
N5 Mn2 O6 C60 31(4) . .
N6 Mn2 O6 C60 -4.0(6) . .
N11 Mn2 O6 C60 84.5(5) . .
N12 Mn2 O6 C60 -88.9(5) . .
C78 C73 O7 Ru2 20.6(10) . .
C74 C73 O7 Ru2 -156.1(4) . .
C87 C88 O8 Ru2 -170.6(5) . .
C83 C88 O8 Ru2 6.4(9) . .
C94 C93 O9 Mn4 177.9(4) . .
C98 C93 O9 Mn4 -0.6(11) . .
O10 Mn4 O9 C93 175.7(6) . .
N14 Mn4 O9 C93 -64(4) . .
N13 Mn4 O9 C93 2.4(6) . .
N21 Mn4 O9 C93 -86.8(6) . .
N22 Mn4 O9 C93 87.7(6) . .
C107 C108 O10 Mn4 -171.7(5) . .
C103 C108 O10 Mn4 8.0(9) . .
N14 Mn4 O10 C108 -12.7(5) . .
O9 Mn4 O10 C108 164.6(5) . .
N13 Mn4 O10 C108 -71.5(16) . .
N21 Mn4 O10 C108 75.4(5) . .
N22 Mn4 O10 C108 -100.3(5) . .
C122 C121 O11 Ru3 166.7(5) . .
C126 C121 O11 Ru3 -17.9(10) . .
C135 C136 O12 Ru3 166.3(5) . .
C131 C136 O12 Ru3 -25.3(9) . .
C142 C137 O13 Mn3 8.4(11) . .
C138 C137 O13 Mn3 -162.5(5) . .
O14 Mn3 O13 C137 161.1(6) . .
N18 Mn3 O13 C137 15.9(17) . .
N17 Mn3 O13 C137 -18.1(6) . .
N23 Mn3 O13 C137 -107.6(6) . .
N24 Mn3 O13 C137 71.0(6) . .
C151 C152 O14 Mn3 -170.0(5) . .
C147 C152 O14 Mn3 11.3(9) . .
O13 Mn3 O14 C152 170.5(5) . .
N18 Mn3 O14 C152 -14.7(5) . .
N17 Mn3 O14 C152 -20(3) . .
N23 Mn3 O14 C152 76.2(5) . .
N24 Mn3 O14 C152 -102.2(5) . .
C170 C165 O15 Ru4 -9.1(14) . .
C166 C165 O15 Ru4 172.7(6) . .
C175 C180 O16 Ru4 -25.6(11) . .
C179 C180 O16 Ru4 158.6(5) . .
C38 N4 Ru1 C90 105.0(6) . .
C37 N4 Ru1 C90 -66.2(5) . .
C38 N4 Ru1 O3 -121(2) . .
C37 N4 Ru1 O3 67(2) . .
C38 N4 Ru1 O4 12.8(6) . .
C37 N4 Ru1 O4 -158.4(4) . .
C38 N4 Ru1 N3 -166.8(6) . .
C37 N4 Ru1 N3 22.0(4) . .
C38 N4 Ru1 C91 -79.1(6) . .
C37 N4 Ru1 C91 109.6(5) . .
N10 C90 Ru1 N4 33(7) . .
N10 C90 Ru1 O3 -143(7) . .
N10 C90 Ru1 O4 123(7) . .
N10 C90 Ru1 N3 -46(7) . .
N10 C90 Ru1 C91 -47(9) . .
C29 O3 Ru1 N4 -59(3) . .
C29 O3 Ru1 C90 74.4(5) . .
C29 O3 Ru1 O4 166.7(5) . .
C29 O3 Ru1 N3 -14.3(5) . .
C29 O3 Ru1 C91 -101.4(5) . .
C44 O4 Ru1 N4 -20.2(5) . .
C44 O4 Ru1 C90 -111.7(5) . .
C44 O4 Ru1 O3 156.1(5) . .
C44 O4 Ru1 N3 -18.4(15) . .
C44 O4 Ru1 C91 67.5(6) . .
C35 N3 Ru1 N4 -176.6(6) . .
C36 N3 Ru1 N4 8.8(4) . .
C35 N3 Ru1 C90 -84.8(6) . .
C36 N3 Ru1 C90 100.6(5) . .
C35 N3 Ru1 O3 7.2(6) . .
C36 N3 Ru1 O3 -167.4(4) . .
C35 N3 Ru1 O4 -178.4(10) . .
C36 N3 Ru1 O4 7.0(15) . .
C35 N3 Ru1 C91 95.2(6) . .
C36 N3 Ru1 C91 -79.4(5) . .
N11 C91 Ru1 N4 -103(4) . .
N11 C91 Ru1 C90 -23(7) . .
N11 C91 Ru1 O3 74(4) . .
N11 C91 Ru1 O4 168(4) . .
N11 C91 Ru1 N3 -23(4) . .
N12 C92 Ru2 O8 -7(25) . .
N12 C92 Ru2 N7 178(100) . .
N12 C92 Ru2 N8 -101(25) . .
N12 C92 Ru2 O7 90(25) . .
N12 C92 Ru2 C89 -38(27) . 1_556
C88 O8 Ru2 C92 -111.2(5) . .
C88 O8 Ru2 N7 -56(3) . .
C88 O8 Ru2 N8 -19.2(5) . .
C88 O8 Ru2 O7 156.9(5) . .
C88 O8 Ru2 C89 65.9(5) . 1_556
C79 N7 Ru2 C92 -72.3(7) . .
C80 N7 Ru2 C92 104.6(5) . .
C79 N7 Ru2 O8 -128(2) . .
C80 N7 Ru2 O8 49(3) . .
C79 N7 Ru2 N8 -164.4(7) . .
C80 N7 Ru2 N8 12.5(5) . .
C79 N7 Ru2 O7 20.1(6) . .
C80 N7 Ru2 O7 -162.9(5) . .
C79 N7 Ru2 C89 111.0(7) . 1_556
C80 N7 Ru2 C89 -72.1(5) . 1_556
C82 N8 Ru2 C92 101.8(6) . .
C81 N8 Ru2 C92 -80.9(5) . .
C82 N8 Ru2 O8 16.7(6) . .
C81 N8 Ru2 O8 -166.0(5) . .
C82 N8 Ru2 N7 -166.8(6) . .
C81 N8 Ru2 N7 10.5(5) . .
C82 N8 Ru2 O7 -143.2(10) . .
C81 N8 Ru2 O7 34.1(14) . .
C82 N8 Ru2 C89 -73.3(6) . 1_556
C81 N8 Ru2 C89 104.0(5) . 1_556
C73 O7 Ru2 C92 63.1(5) . .
C73 O7 Ru2 O8 148.2(5) . .
C73 O7 Ru2 N7 -28.7(5) . .
C73 O7 Ru2 N8 -51.9(14) . .
C73 O7 Ru2 C89 -121.3(5) . 1_556
N22 C182 Ru3 N15 127(42) . .
N22 C182 Ru3 C183 -53(44) . .
N22 C182 Ru3 O11 34(42) . .
N22 C182 Ru3 O12 -62(42) . .
N22 C182 Ru3 N16 -154(42) . .
C127 N15 Ru3 C182 -104.9(6) . .
C128 N15 Ru3 C182 70.4(5) . .
C127 N15 Ru3 C183 75.1(6) . .
C128 N15 Ru3 C183 -109.6(5) . .
C127 N15 Ru3 O11 -13.8(6) . .
C128 N15 Ru3 O11 161.5(5) . .
C127 N15 Ru3 O12 150.5(12) . .
C128 N15 Ru3 O12 -34.2(17) . .
C127 N15 Ru3 N16 164.7(6) . .
C128 N15 Ru3 N16 -20.0(5) . .
N23 C183 Ru3 C182 -140(4) . .
N23 C183 Ru3 N15 40(4) . .
N23 C183 Ru3 O11 132(4) . .
N23 C183 Ru3 O12 -131(4) . .
N23 C183 Ru3 N16 -39(4) . .
C121 O11 Ru3 C182 112.6(5) . .
C121 O11 Ru3 N15 22.3(5) . .
C121 O11 Ru3 C183 -71.2(5) . .
C121 O11 Ru3 O12 -155.3(5) . .
C121 O11 Ru3 N16 11.9(18) . .
C136 O12 Ru3 C182 -57.5(6) . .
C136 O12 Ru3 N15 47.0(17) . .
C136 O12 Ru3 C183 123.1(6) . .
C136 O12 Ru3 O11 -148.8(6) . .
C136 O12 Ru3 N16 33.1(6) . .
C130 N16 Ru3 C182 65.9(5) . .
C129 N16 Ru3 C182 -99.1(5) . .
C130 N16 Ru3 N15 156.1(5) . .
C129 N16 Ru3 N15 -8.9(5) . .
C130 N16 Ru3 C183 -110.3(5) . .
C129 N16 Ru3 C183 84.7(5) . .
C130 N16 Ru3 O11 166.7(13) . .
C129 N16 Ru3 O11 1.7(18) . .
C130 N16 Ru3 O12 -26.0(5) . .
C129 N16 Ru3 O12 168.9(5) . .
C171 N19 Ru4 C181 65.8(7) . 1_556
C172 N19 Ru4 C181 -128.0(6) . 1_556
C171 N19 Ru4 O15 -4.2(7) . .
C172 N19 Ru4 O15 162.0(5) . .
C171 N19 Ru4 N20 175.9(7) . .
C172 N19 Ru4 N20 -17.9(5) . .
C171 N19 Ru4 O16 135.6(8) . .
C172 N19 Ru4 O16 -58.1(11) . .
C171 N19 Ru4 C184 -84.5(7) . .
C172 N19 Ru4 C184 81.8(5) . .
C165 O15 Ru4 C181 -66.9(7) . 1_556
C165 O15 Ru4 N19 8.4(7) . .
C165 O15 Ru4 N20 -173(55) . .
C165 O15 Ru4 O16 -162.1(7) . .
C165 O15 Ru4 C184 95.9(7) . .
C174 N20 Ru4 C181 -117.9(7) . 1_556
C173 N20 Ru4 C181 63.0(5) . 1_556
C174 N20 Ru4 N19 166.1(7) . .
C173 N20 Ru4 N19 -12.9(5) . .
C174 N20 Ru4 O15 -12(7) . .
C173 N20 Ru4 O15 168(7) . .
C174 N20 Ru4 O16 -23.4(7) . .
C173 N20 Ru4 O16 157.5(5) . .
C174 N20 Ru4 C184 78.2(7) . .
C173 N20 Ru4 C184 -100.8(5) . .
C180 O16 Ru4 C181 133.6(6) . 1_556
C180 O16 Ru4 N19 66.0(12) . .
C180 O16 Ru4 O15 -154.2(6) . .
C180 O16 Ru4 N20 25.4(6) . .
C180 O16 Ru4 C184 -72.7(6) . .
N24 C184 Ru4 C181 -81(2) . 1_556
N24 C184 Ru4 N19 -17(2) . .
N24 C184 Ru4 O15 -113(2) . .
N24 C184 Ru4 N20 70(2) . .
N24 C184 Ru4 O16 154(2) . .
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 0.077 0.768 0.652 1542 148 ' '
2 0.651 0.495 0.846 11 1 ' '
