# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_20131230f

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H34 Mn N6 O4 Ru'
_chemical_formula_weight         794.72

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.8040(13)
_cell_length_b                   13.3524(16)
_cell_length_c                   12.7899(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.497(2)
_cell_angle_gamma                90.00
_cell_volume                     1829.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3572
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      24.87

_exptl_crystal_description       block
_exptl_crystal_colour            dark-green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             810
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8059
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14155
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         25.50
_reflns_number_total             6025
_reflns_number_gt                5353
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

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 0.500 0.604 0.500 350 60 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0519P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_number_reflns         6025
_refine_ls_number_parameters     451
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_ref         0.1029
_refine_ls_wR_factor_gt          0.0984
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.64048(3) 0.91099(3) 0.06274(3) 0.02758(12) Uani 1 1 d . . .
C1 C 0.6789(5) 1.0715(4) 0.2204(4) 0.0357(12) Uani 1 1 d . . .
H1 H 0.6764 1.1394 0.2362 0.043 Uiso 1 1 calc R . .
C2 C 0.6938(5) 1.0019(4) 0.3097(4) 0.0377(12) Uani 1 1 d . . .
C3 C 0.7038(6) 1.0428(5) 0.4086(4) 0.0524(16) Uani 1 1 d . . .
H3 H 0.6930 1.1114 0.4158 0.063 Uiso 1 1 calc R . .
C4 C 0.7297(8) 0.9840(6) 0.4987(6) 0.069(2) Uani 1 1 d . . .
H4 H 0.7320 1.0119 0.5655 0.083 Uiso 1 1 calc R . .
C5 C 0.7520(7) 0.8827(6) 0.4861(5) 0.064(2) Uani 1 1 d . . .
H5 H 0.7729 0.8426 0.5452 0.077 Uiso 1 1 calc R . .
C6 C 0.7436(6) 0.8404(5) 0.3860(4) 0.0489(15) Uani 1 1 d . . .
H6 H 0.7606 0.7726 0.3793 0.059 Uiso 1 1 calc R . .
C7 C 0.7099(4) 0.8981(5) 0.2950(4) 0.0392(13) Uani 1 1 d . . .
C8 C 0.6726(5) 1.1276(4) 0.0443(4) 0.0406(13) Uani 1 1 d . . .
H8A H 0.7577 1.1372 0.0296 0.049 Uiso 1 1 calc R . .
H8B H 0.6432 1.1904 0.0701 0.049 Uiso 1 1 calc R . .
C9 C 0.5905(5) 1.0967(4) -0.0553(4) 0.0412(13) Uani 1 1 d . . .
H9A H 0.5040 1.1124 -0.0493 0.049 Uiso 1 1 calc R . .
H9B H 0.6145 1.1331 -0.1152 0.049 Uiso 1 1 calc R . .
C10 C 0.5985(6) 0.8494(5) -0.1905(4) 0.0372(14) Uani 1 1 d . . .
C11 C 0.5909(6) 0.8238(6) -0.2993(5) 0.0558(17) Uani 1 1 d . . .
H11 H 0.5894 0.8751 -0.3485 0.067 Uiso 1 1 calc R . .
C12 C 0.5857(6) 0.7279(6) -0.3340(5) 0.0573(17) Uani 1 1 d . . .
H12 H 0.5817 0.7141 -0.4056 0.069 Uiso 1 1 calc R . .
C13 C 0.5864(5) 0.6504(5) -0.2613(5) 0.0464(14) Uani 1 1 d . . .
H13 H 0.5804 0.5844 -0.2847 0.056 Uiso 1 1 calc R . .
C14 C 0.5959(5) 0.6706(4) -0.1546(4) 0.0392(13) Uani 1 1 d . . .
H14 H 0.6003 0.6173 -0.1075 0.047 Uiso 1 1 calc R . .
C15 C 0.5992(4) 0.7692(4) -0.1144(4) 0.0324(12) Uani 1 1 d . . .
C16 C 0.5955(5) 0.9527(5) -0.1637(5) 0.0396(14) Uani 1 1 d . . .
H16 H 0.5860 0.9983 -0.2192 0.047 Uiso 1 1 calc R . .
C17 C 1.0665(5) 0.7365(4) 0.2609(4) 0.0378(12) Uani 1 1 d . . .
C18 C 1.0265(6) 0.6752(6) 0.3385(5) 0.0555(17) Uani 1 1 d . . .
H18 H 1.0015 0.7043 0.3985 0.067 Uiso 1 1 calc R . .
C19 C 1.0233(6) 0.5722(5) 0.3277(5) 0.0589(17) Uani 1 1 d . . .
H19 H 0.9922 0.5324 0.3779 0.071 Uiso 1 1 calc R . .
C20 C 1.0666(6) 0.5293(5) 0.2417(5) 0.0535(16) Uani 1 1 d . . .
H20 H 1.0662 0.4600 0.2346 0.064 Uiso 1 1 calc R . .
C21 C 1.1101(5) 0.5877(4) 0.1667(5) 0.0444(14) Uani 1 1 d . . .
H21 H 1.1410 0.5567 0.1103 0.053 Uiso 1 1 calc R . .
C22 C 1.1096(4) 0.6913(4) 0.1717(4) 0.0338(12) Uani 1 1 d . . .
C23 C 1.0698(5) 0.8419(4) 0.2784(4) 0.0375(13) Uani 1 1 d . . .
H23 H 1.0441 0.8646 0.3408 0.045 Uiso 1 1 calc R . .
C24 C 1.1109(5) 1.0161(4) 0.2428(4) 0.0366(12) Uani 1 1 d . . .
H24 H 1.1994 1.0340 0.2582 0.044 Uiso 1 1 calc R . .
C25 C 1.0482(6) 1.0462(5) 0.3389(5) 0.0553(17) Uani 1 1 d . . .
H25A H 1.0909 1.0146 0.4018 0.066 Uiso 1 1 calc R . .
H25B H 0.9620 1.0239 0.3296 0.066 Uiso 1 1 calc R . .
C26 C 1.0534(8) 1.1616(6) 0.3513(6) 0.072(2) Uani 1 1 d . . .
H26A H 1.0072 1.1812 0.4082 0.086 Uiso 1 1 calc R . .
H26B H 1.1395 1.1823 0.3702 0.086 Uiso 1 1 calc R . .
C27 C 0.9992(6) 1.2147(5) 0.2510(5) 0.0566(17) Uani 1 1 d . . .
H27A H 1.0067 1.2865 0.2613 0.068 Uiso 1 1 calc R . .
H27B H 0.9111 1.1987 0.2355 0.068 Uiso 1 1 calc R . .
C28 C 1.0654(5) 1.1843(4) 0.1578(5) 0.0439(14) Uani 1 1 d . . .
H28A H 1.0265 1.2175 0.0944 0.053 Uiso 1 1 calc R . .
H28B H 1.1521 1.2051 0.1704 0.053 Uiso 1 1 calc R . .
C29 C 1.0583(5) 1.0717(4) 0.1426(4) 0.0383(12) Uani 1 1 d . . .
H29 H 0.9696 1.0542 0.1280 0.046 Uiso 1 1 calc R . .
C30 C 1.2155(5) 1.0422(4) -0.1028(4) 0.0376(12) Uani 1 1 d . . .
C31 C 1.2629(5) 1.1110(5) -0.1702(4) 0.0488(15) Uani 1 1 d . . .
H31 H 1.2632 1.1789 -0.1542 0.059 Uiso 1 1 calc R . .
C32 C 1.3087(6) 1.0788(5) -0.2598(5) 0.0524(16) Uani 1 1 d . . .
H32 H 1.3409 1.1246 -0.3040 0.063 Uiso 1 1 calc R . .
C33 C 1.3066(5) 0.9783(5) -0.2835(5) 0.0507(16) Uani 1 1 d . . .
H33 H 1.3373 0.9569 -0.3444 0.061 Uiso 1 1 calc R . .
C34 C 1.2611(4) 0.9093(6) -0.2206(4) 0.0481(12) Uani 1 1 d . . .
H34 H 1.2608 0.8419 -0.2387 0.058 Uiso 1 1 calc R . .
C35 C 1.2148(4) 0.9391(4) -0.1290(4) 0.0366(13) Uani 1 1 d . . .
C36 C 1.1602(5) 1.0821(4) -0.0153(4) 0.0367(12) Uani 1 1 d . . .
H36 H 1.1524 1.1513 -0.0105 0.044 Uiso 1 1 calc R . .
C37 C 0.4563(4) 0.9127(5) 0.0964(3) 0.0305(9) Uani 1 1 d . . .
C38 C 0.8231(4) 0.8928(4) 0.0345(4) 0.0299(12) Uani 1 1 d . . .
Mn1 Mn 1.13991(6) 0.88204(5) 0.06895(6) 0.0278(2) Uani 1 1 d . . .
N1 N 0.6691(4) 1.0482(4) 0.1254(3) 0.0298(10) Uani 1 1 d . . .
N2 N 0.6047(4) 0.9886(3) -0.0710(3) 0.0318(10) Uani 1 1 d . . .
N3 N 1.1048(3) 0.9082(4) 0.2164(3) 0.0333(8) Uani 1 1 d . . .
N4 N 1.1207(4) 1.0279(4) 0.0567(3) 0.0333(10) Uani 1 1 d . . .
N5 N 0.9242(4) 0.8765(3) 0.0252(3) 0.0366(11) Uani 1 1 d . . .
N6 N 1.3560(3) 0.9067(4) 0.1141(3) 0.0373(9) Uani 1 1 d . . .
O1 O 0.5983(3) 0.7811(3) -0.0153(3) 0.0347(8) Uani 1 1 d . . .
O2 O 0.6986(3) 0.8497(3) 0.2046(3) 0.0368(9) Uani 1 1 d . . .
O3 O 1.1690(3) 0.8690(3) -0.0708(3) 0.0376(9) Uani 1 1 d . . .
O4 O 1.1500(3) 0.7435(3) 0.0949(3) 0.0379(9) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 1.994(4) . ?
Ru1 N1 2.008(5) . ?
Ru1 O2 2.015(4) . ?
Ru1 O1 2.023(4) . ?
Ru1 C38 2.066(4) . ?
Ru1 C37 2.091(4) . ?
C1 N1 1.245(7) . ?
C1 C2 1.464(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.369(8) . ?
C2 C7 1.412(9) . ?
C3 C4 1.392(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.403(8) . ?
C6 H6 0.9300 . ?
C7 O2 1.317(6) . ?
C8 N1 1.488(7) . ?
C8 C9 1.511(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N2 1.469(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C16 1.423(8) . ?
C10 C11 1.424(8) . ?
C10 C15 1.447(8) . ?
C11 C12 1.354(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.391(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.381(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.412(8) . ?
C14 H14 0.9300 . ?
C15 O1 1.278(6) . ?
C16 N2 1.271(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.398(8) . ?
C17 C22 1.422(7) . ?
C17 C23 1.424(8) . ?
C18 C19 1.383(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.366(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.385(8) . ?
C21 H21 0.9300 . ?
C22 O4 1.323(6) . ?
C23 N3 1.278(7) . ?
C23 H23 0.9300 . ?
C24 N3 1.480(8) . ?
C24 C29 1.525(8) . ?
C24 C25 1.532(7) . ?
C24 H24 0.9800 . ?
C25 C26 1.550(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.515(11) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.522(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.518(8) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 N4 1.483(7) . ?
C29 H29 0.9800 . ?
C30 C31 1.402(7) . ?
C30 C35 1.415(8) . ?
C30 C36 1.438(7) . ?
C31 C32 1.375(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.376(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.357(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.391(7) . ?
C34 H34 0.9300 . ?
C35 O3 1.331(6) . ?
C36 N4 1.286(7) . ?
C36 H36 0.9300 . ?
C37 N6 1.138(5) 1_455 ?
C38 N5 1.135(6) . ?
Mn1 O3 1.863(4) . ?
Mn1 O4 1.880(4) . ?
Mn1 N4 1.963(5) . ?
Mn1 N3 2.002(4) . ?
Mn1 N5 2.325(4) . ?
Mn1 N6 2.354(4) . ?
N6 C37 1.138(5) 1_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru1 N1 82.57(17) . . ?
N2 Ru1 O2 170.53(17) . . ?
N1 Ru1 O2 89.87(16) . . ?
N2 Ru1 O1 90.93(17) . . ?
N1 Ru1 O1 172.93(17) . . ?
O2 Ru1 O1 96.86(14) . . ?
N2 Ru1 C38 89.66(18) . . ?
N1 Ru1 C38 94.36(18) . . ?
O2 Ru1 C38 85.22(17) . . ?
O1 Ru1 C38 88.37(17) . . ?
N2 Ru1 C37 95.05(17) . . ?
N1 Ru1 C37 90.5(2) . . ?
O2 Ru1 C37 90.69(16) . . ?
O1 Ru1 C37 87.2(2) . . ?
C38 Ru1 C37 173.6(2) . . ?
N1 C1 C2 126.1(5) . . ?
N1 C1 H1 116.9 . . ?
C2 C1 H1 116.9 . . ?
C3 C2 C7 121.2(6) . . ?
C3 C2 C1 117.0(5) . . ?
C7 C2 C1 121.5(5) . . ?
C2 C3 C4 121.5(7) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 118.2(7) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C4 C5 C6 120.8(7) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 121.3(6) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
O2 C7 C6 116.3(6) . . ?
O2 C7 C2 126.8(5) . . ?
C6 C7 C2 116.8(5) . . ?
N1 C8 C9 109.1(4) . . ?
N1 C8 H8A 109.9 . . ?
C9 C8 H8A 109.9 . . ?
N1 C8 H8B 109.9 . . ?
C9 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
N2 C9 C8 108.9(5) . . ?
N2 C9 H9A 109.9 . . ?
C8 C9 H9A 109.9 . . ?
N2 C9 H9B 109.9 . . ?
C8 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C16 C10 C11 117.9(6) . . ?
C16 C10 C15 123.6(5) . . ?
C11 C10 C15 118.3(6) . . ?
C12 C11 C10 122.8(6) . . ?
C12 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
C11 C12 C13 119.2(6) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C14 C13 C12 120.6(6) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 122.4(6) . . ?
C13 C14 H14 118.8 . . ?
C15 C14 H14 118.8 . . ?
O1 C15 C14 118.2(5) . . ?
O1 C15 C10 125.1(5) . . ?
C14 C15 C10 116.6(5) . . ?
N2 C16 C10 126.1(5) . . ?
N2 C16 H16 117.0 . . ?
C10 C16 H16 117.0 . . ?
C18 C17 C22 119.0(6) . . ?
C18 C17 C23 118.1(6) . . ?
C22 C17 C23 122.8(5) . . ?
C19 C18 C17 121.1(7) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C20 C19 C18 119.2(6) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C21 C20 C19 120.5(6) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 122.3(6) . . ?
C20 C21 H21 118.9 . . ?
C22 C21 H21 118.9 . . ?
O4 C22 C21 119.2(5) . . ?
O4 C22 C17 123.1(5) . . ?
C21 C22 C17 117.7(5) . . ?
N3 C23 C17 126.2(5) . . ?
N3 C23 H23 116.9 . . ?
C17 C23 H23 116.9 . . ?
N3 C24 C29 106.3(4) . . ?
N3 C24 C25 115.2(5) . . ?
C29 C24 C25 113.0(5) . . ?
N3 C24 H24 107.3 . . ?
C29 C24 H24 107.3 . . ?
C25 C24 H24 107.3 . . ?
C24 C25 C26 109.2(5) . . ?
C24 C25 H25A 109.8 . . ?
C26 C25 H25A 109.8 . . ?
C24 C25 H25B 109.8 . . ?
C26 C25 H25B 109.8 . . ?
H25A C25 H25B 108.3 . . ?
C27 C26 C25 111.9(6) . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
C25 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C26 C27 C28 111.7(5) . . ?
C26 C27 H27A 109.3 . . ?
C28 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
C28 C27 H27B 109.3 . . ?
H27A C27 H27B 107.9 . . ?
C29 C28 C27 110.1(5) . . ?
C29 C28 H28A 109.6 . . ?
C27 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C27 C28 H28B 109.6 . . ?
H28A C28 H28B 108.2 . . ?
N4 C29 C28 117.7(5) . . ?
N4 C29 C24 106.0(4) . . ?
C28 C29 C24 111.5(5) . . ?
N4 C29 H29 107.0 . . ?
C28 C29 H29 107.0 . . ?
C24 C29 H29 107.0 . . ?
C31 C30 C35 118.9(5) . . ?
C31 C30 C36 117.2(6) . . ?
C35 C30 C36 123.7(5) . . ?
C32 C31 C30 120.5(6) . . ?
C32 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C31 C32 C33 119.4(5) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C34 C33 C32 121.9(6) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C33 C34 C35 120.3(7) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
O3 C35 C34 118.0(6) . . ?
O3 C35 C30 122.9(4) . . ?
C34 C35 C30 119.1(6) . . ?
N4 C36 C30 123.9(6) . . ?
N4 C36 H36 118.0 . . ?
C30 C36 H36 118.0 . . ?
N6 C37 Ru1 175.4(6) 1_455 . ?
N5 C38 Ru1 174.2(4) . . ?
O3 Mn1 O4 93.69(16) . . ?
O3 Mn1 N4 92.59(17) . . ?
O4 Mn1 N4 173.50(17) . . ?
O3 Mn1 N3 175.1(2) . . ?
O4 Mn1 N3 91.1(2) . . ?
N4 Mn1 N3 82.6(2) . . ?
O3 Mn1 N5 93.17(16) . . ?
O4 Mn1 N5 92.54(16) . . ?
N4 Mn1 N5 85.43(16) . . ?
N3 Mn1 N5 85.68(14) . . ?
O3 Mn1 N6 87.85(15) . . ?
O4 Mn1 N6 93.54(18) . . ?
N4 Mn1 N6 88.37(18) . . ?
N3 Mn1 N6 92.78(14) . . ?
N5 Mn1 N6 173.75(18) . . ?
C1 N1 C8 119.8(5) . . ?
C1 N1 Ru1 127.3(4) . . ?
C8 N1 Ru1 112.9(3) . . ?
C16 N2 C9 120.1(5) . . ?
C16 N2 Ru1 126.0(4) . . ?
C9 N2 Ru1 113.9(3) . . ?
C23 N3 C24 122.8(5) . . ?
C23 N3 Mn1 124.8(4) . . ?
C24 N3 Mn1 112.1(3) . . ?
C36 N4 C29 122.3(5) . . ?
C36 N4 Mn1 125.0(4) . . ?
C29 N4 Mn1 112.6(3) . . ?
C38 N5 Mn1 156.4(4) . . ?
C37 N6 Mn1 154.3(4) 1_655 . ?
C15 O1 Ru1 124.4(3) . . ?
C7 O2 Ru1 125.0(4) . . ?
C35 O3 Mn1 126.3(3) . . ?
C22 O4 Mn1 129.2(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 179.5(5) . . . . ?
N1 C1 C2 C7 5.8(8) . . . . ?
C7 C2 C3 C4 -0.2(9) . . . . ?
C1 C2 C3 C4 -174.0(6) . . . . ?
C2 C3 C4 C5 3.4(11) . . . . ?
C3 C4 C5 C6 -2.6(12) . . . . ?
C4 C5 C6 C7 -1.3(11) . . . . ?
C5 C6 C7 O2 -176.7(6) . . . . ?
C5 C6 C7 C2 4.4(9) . . . . ?
C3 C2 C7 O2 177.6(5) . . . . ?
C1 C2 C7 O2 -8.9(8) . . . . ?
C3 C2 C7 C6 -3.6(8) . . . . ?
C1 C2 C7 C6 169.9(5) . . . . ?
N1 C8 C9 N2 -38.6(6) . . . . ?
C16 C10 C11 C12 -176.1(6) . . . . ?
C15 C10 C11 C12 -0.8(9) . . . . ?
C10 C11 C12 C13 0.8(10) . . . . ?
C11 C12 C13 C14 -1.9(9) . . . . ?
C12 C13 C14 C15 3.1(8) . . . . ?
C13 C14 C15 O1 174.6(5) . . . . ?
C13 C14 C15 C10 -3.1(7) . . . . ?
C16 C10 C15 O1 -0.6(9) . . . . ?
C11 C10 C15 O1 -175.7(5) . . . . ?
C16 C10 C15 C14 176.9(5) . . . . ?
C11 C10 C15 C14 1.8(8) . . . . ?
C11 C10 C16 N2 -178.0(5) . . . . ?
C15 C10 C16 N2 6.9(10) . . . . ?
C22 C17 C18 C19 -2.7(9) . . . . ?
C23 C17 C18 C19 -178.7(6) . . . . ?
C17 C18 C19 C20 3.5(10) . . . . ?
C18 C19 C20 C21 -1.3(10) . . . . ?
C19 C20 C21 C22 -1.8(9) . . . . ?
C20 C21 C22 O4 -178.2(5) . . . . ?
C20 C21 C22 C17 2.5(8) . . . . ?
C18 C17 C22 O4 -179.5(5) . . . . ?
C23 C17 C22 O4 -3.8(8) . . . . ?
C18 C17 C22 C21 -0.2(7) . . . . ?
C23 C17 C22 C21 175.5(5) . . . . ?
C18 C17 C23 N3 179.4(5) . . . . ?
C22 C17 C23 N3 3.6(8) . . . . ?
N3 C24 C25 C26 -175.7(5) . . . . ?
C29 C24 C25 C26 -53.2(7) . . . . ?
C24 C25 C26 C27 53.8(7) . . . . ?
C25 C26 C27 C28 -57.1(7) . . . . ?
C26 C27 C28 C29 57.1(7) . . . . ?
C27 C28 C29 N4 -178.5(5) . . . . ?
C27 C28 C29 C24 -55.7(6) . . . . ?
N3 C24 C29 N4 -47.9(5) . . . . ?
C25 C24 C29 N4 -175.3(4) . . . . ?
N3 C24 C29 C28 -177.2(4) . . . . ?
C25 C24 C29 C28 55.4(6) . . . . ?
C35 C30 C31 C32 -0.6(8) . . . . ?
C36 C30 C31 C32 -175.2(5) . . . . ?
C30 C31 C32 C33 0.7(9) . . . . ?
C31 C32 C33 C34 -0.4(9) . . . . ?
C32 C33 C34 C35 -0.1(9) . . . . ?
C33 C34 C35 O3 178.8(5) . . . . ?
C33 C34 C35 C30 0.2(8) . . . . ?
C31 C30 C35 O3 -178.4(5) . . . . ?
C36 C30 C35 O3 -4.2(8) . . . . ?
C31 C30 C35 C34 0.1(7) . . . . ?
C36 C30 C35 C34 174.3(5) . . . . ?
C31 C30 C36 N4 -175.1(5) . . . . ?
C35 C30 C36 N4 10.6(8) . . . . ?
N2 Ru1 C37 N6 116(5) . . . 1_455 ?
N1 Ru1 C37 N6 -161(5) . . . 1_455 ?
O2 Ru1 C37 N6 -72(5) . . . 1_455 ?
O1 Ru1 C37 N6 25(5) . . . 1_455 ?
C38 Ru1 C37 N6 -21(6) . . . 1_455 ?
N2 Ru1 C38 N5 -164(4) . . . . ?
N1 Ru1 C38 N5 114(4) . . . . ?
O2 Ru1 C38 N5 24(4) . . . . ?
O1 Ru1 C38 N5 -73(4) . . . . ?
C37 Ru1 C38 N5 -26(5) . . . . ?
C2 C1 N1 C8 -171.3(5) . . . . ?
C2 C1 N1 Ru1 11.6(8) . . . . ?
C9 C8 N1 C1 -147.7(5) . . . . ?
C9 C8 N1 Ru1 29.8(5) . . . . ?
N2 Ru1 N1 C1 166.9(5) . . . . ?
O2 Ru1 N1 C1 -18.8(4) . . . . ?
O1 Ru1 N1 C1 143.4(11) . . . . ?
C38 Ru1 N1 C1 -104.0(5) . . . . ?
C37 Ru1 N1 C1 71.8(4) . . . . ?
N2 Ru1 N1 C8 -10.4(3) . . . . ?
O2 Ru1 N1 C8 163.9(3) . . . . ?
O1 Ru1 N1 C8 -33.8(14) . . . . ?
C38 Ru1 N1 C8 78.7(3) . . . . ?
C37 Ru1 N1 C8 -105.4(3) . . . . ?
C10 C16 N2 C9 -175.4(6) . . . . ?
C10 C16 N2 Ru1 5.7(9) . . . . ?
C8 C9 N2 C16 -147.8(5) . . . . ?
C8 C9 N2 Ru1 31.3(5) . . . . ?
N1 Ru1 N2 C16 166.9(5) . . . . ?
O2 Ru1 N2 C16 129.6(9) . . . . ?
O1 Ru1 N2 C16 -15.9(4) . . . . ?
C38 Ru1 N2 C16 72.4(5) . . . . ?
C37 Ru1 N2 C16 -103.2(5) . . . . ?
N1 Ru1 N2 C9 -12.1(3) . . . . ?
O2 Ru1 N2 C9 -49.4(11) . . . . ?
O1 Ru1 N2 C9 165.1(3) . . . . ?
C38 Ru1 N2 C9 -106.6(4) . . . . ?
C37 Ru1 N2 C9 77.7(4) . . . . ?
C17 C23 N3 C24 -177.1(5) . . . . ?
C17 C23 N3 Mn1 9.5(7) . . . . ?
C29 C24 N3 C23 -137.9(5) . . . . ?
C25 C24 N3 C23 -11.8(7) . . . . ?
C29 C24 N3 Mn1 36.3(4) . . . . ?
C25 C24 N3 Mn1 162.3(4) . . . . ?
O3 Mn1 N3 C23 152.6(17) . . . . ?
O4 Mn1 N3 C23 -16.4(4) . . . . ?
N4 Mn1 N3 C23 162.0(4) . . . . ?
N5 Mn1 N3 C23 76.0(4) . . . . ?
N6 Mn1 N3 C23 -110.0(4) . . . . ?
O3 Mn1 N3 C24 -21.4(19) . . . . ?
O4 Mn1 N3 C24 169.6(3) . . . . ?
N4 Mn1 N3 C24 -12.0(3) . . . . ?
N5 Mn1 N3 C24 -98.0(3) . . . . ?
N6 Mn1 N3 C24 76.0(3) . . . . ?
C30 C36 N4 C29 -176.8(5) . . . . ?
C30 C36 N4 Mn1 5.3(7) . . . . ?
C28 C29 N4 C36 -12.6(7) . . . . ?
C24 C29 N4 C36 -138.2(5) . . . . ?
C28 C29 N4 Mn1 165.6(4) . . . . ?
C24 C29 N4 Mn1 40.0(5) . . . . ?
O3 Mn1 N4 C36 -19.1(4) . . . . ?
O4 Mn1 N4 C36 175.9(14) . . . . ?
N3 Mn1 N4 C36 161.7(4) . . . . ?
N5 Mn1 N4 C36 -112.1(4) . . . . ?
N6 Mn1 N4 C36 68.7(4) . . . . ?
O3 Mn1 N4 C29 162.8(3) . . . . ?
O4 Mn1 N4 C29 -2.2(17) . . . . ?
N3 Mn1 N4 C29 -16.4(3) . . . . ?
N5 Mn1 N4 C29 69.8(3) . . . . ?
N6 Mn1 N4 C29 -109.4(3) . . . . ?
Ru1 C38 N5 Mn1 -79(5) . . . . ?
O3 Mn1 N5 C38 -152.0(10) . . . . ?
O4 Mn1 N5 C38 114.2(10) . . . . ?
N4 Mn1 N5 C38 -59.6(10) . . . . ?
N3 Mn1 N5 C38 23.3(10) . . . . ?
N6 Mn1 N5 C38 -52.7(19) . . . . ?
O3 Mn1 N6 C37 -1.9(12) . . . 1_655 ?
O4 Mn1 N6 C37 91.7(12) . . . 1_655 ?
N4 Mn1 N6 C37 -94.5(12) . . . 1_655 ?
N3 Mn1 N6 C37 -177.0(12) . . . 1_655 ?
N5 Mn1 N6 C37 -101.4(17) . . . 1_655 ?
C14 C15 O1 Ru1 165.9(3) . . . . ?
C10 C15 O1 Ru1 -16.7(7) . . . . ?
N2 Ru1 O1 C15 21.2(4) . . . . ?
N1 Ru1 O1 C15 44.4(14) . . . . ?
O2 Ru1 O1 C15 -153.5(4) . . . . ?
C38 Ru1 O1 C15 -68.5(4) . . . . ?
C37 Ru1 O1 C15 116.2(4) . . . . ?
C6 C7 O2 Ru1 175.7(4) . . . . ?
C2 C7 O2 Ru1 -5.5(7) . . . . ?
N2 Ru1 O2 C7 52.4(11) . . . . ?
N1 Ru1 O2 C7 15.5(4) . . . . ?
O1 Ru1 O2 C7 -162.3(4) . . . . ?
C38 Ru1 O2 C7 109.9(4) . . . . ?
C37 Ru1 O2 C7 -75.0(4) . . . . ?
C34 C35 O3 Mn1 163.2(4) . . . . ?
C30 C35 O3 Mn1 -18.3(7) . . . . ?
O4 Mn1 O3 C35 -156.2(4) . . . . ?
N4 Mn1 O3 C35 25.5(4) . . . . ?
N3 Mn1 O3 C35 35(2) . . . . ?
N5 Mn1 O3 C35 111.1(4) . . . . ?
N6 Mn1 O3 C35 -62.8(4) . . . . ?
C21 C22 O4 Mn1 170.3(4) . . . . ?
C17 C22 O4 Mn1 -10.5(7) . . . . ?
O3 Mn1 O4 C22 -161.9(4) . . . . ?
N4 Mn1 O4 C22 3.1(18) . . . . ?
N3 Mn1 O4 C22 17.2(4) . . . . ?
N5 Mn1 O4 C22 -68.6(4) . . . . ?
N6 Mn1 O4 C22 110.0(4) . . . . ?

_chemical_absolute_configuration rm
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.387
_refine_diff_density_rms         0.080
_database_code_depnum_ccdc_archive 'CCDC 1019502'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_20140217f

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H34 Mn N6 O4 Ru'
_chemical_formula_weight         794.72
_chemical_absolute_configuration ad

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.8146(15)
_cell_length_b                   13.3776(18)
_cell_length_c                   12.8080(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.643(2)
_cell_angle_gamma                90.00
_cell_volume                     1836.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6123
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      27.05

_exptl_crystal_description       block
_exptl_crystal_colour            dark-green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             810
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8066
_exptl_absorpt_correction_T_max  0.8433
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12671
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0645
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4768
_reflns_number_gt                4411
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

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 0.500 0.663 0.500 356 149 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0100P)²+25.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.19(3)
_refine_ls_number_reflns         4768
_refine_ls_number_parameters     404
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0772
_refine_ls_wR_factor_ref         0.1897
_refine_ls_wR_factor_gt          0.1856
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.35927(3) 0.13422(2) 0.93698(2) 0.025 Uani 1 1 d . . .
Mn1 Mn -0.14062(6) 0.16341(5) 0.93040(5) 0.02726(19) Uani 1 1 d . . .
N1 N 0.3310(3) -0.0002(3) 0.8751(3) 0.028 Uani 1 1 d . . .
N2 N 0.3941(3) 0.0578(3) 1.0710(3) 0.027 Uani 1 1 d . . .
N3 N 0.0757(3) 0.1679(3) 0.9747(3) 0.0348(11) Uani 1 1 d . . .
N4 N -0.1053(3) 0.1357(4) 0.7846(3) 0.0316(9) Uani 1 1 d . . .
N5 N -0.1205(4) 0.0166(3) 0.9413(3) 0.0310(11) Uani 1 1 d . . .
N6 N -0.3560(3) 0.1390(4) 0.8858(3) 0.0392(10) Uani 1 1 d . . .
O1 O 0.4005(3) 0.2650(3) 1.0159(2) 0.0316(9) Uani 1 1 d . . .
O2 O 0.3017(3) 0.1969(2) 0.7947(3) 0.0346(10) Uani 1 1 d . . .
O3 O -0.1674(3) 0.1765(3) 1.0692(3) 0.0343(9) Uani 1 1 d . . .
O4 O -0.1504(3) 0.3015(3) 0.9054(3) 0.0356(9) Uani 1 1 d . . .
C7 C 0.3211(5) -0.0261(4) 0.7765(4) 0.0360(14) Uani 1 1 d . . .
H7 H 0.3200 -0.0939 0.7602 0.043 Uiso 1 1 calc R . .
C38 C -0.4588(3) 0.1336(5) 0.9017(3) 0.0289(10) Uani 1 1 d . . .
C1 C 0.2919(4) 0.1450(5) 0.7040(3) 0.0341(12) Uani 1 1 d . . .
C19 C -0.2616(4) 0.1330(6) 1.2195(4) 0.0460(14) Uani 1 1 d . . .
H19 H -0.2631 0.2004 1.2368 0.055 Uiso 1 1 calc R . .
C10 C 0.4029(5) 0.0965(5) 1.1644(4) 0.044 Uani 1 1 d . . .
H10 H 0.4097 0.0522 1.2209 0.053 Uiso 1 1 calc R . .
C17 C 0.1762(4) 0.1513(4) 0.9686(3) 0.0305(13) Uani 1 1 d . . .
C6 C 0.3116(5) 0.0463(4) 0.6894(4) 0.0396(15) Uani 1 1 d . . .
C37 C -0.1079(4) 0.3524(4) 0.8289(3) 0.0305(13) Uani 1 1 d . . .
C11 C 0.4033(4) 0.1954(4) 1.1878(4) 0.035 Uani 1 1 d . . .
C30 C -0.1097(4) 0.0294(4) 0.7602(4) 0.0331(13) Uani 1 1 d . . .
H30 H -0.1981 0.0113 0.7459 0.040 Uiso 1 1 calc R . .
C26 C -0.0647(5) -0.1386(4) 0.8425(4) 0.044 Uani 1 1 d . . .
H26A H -0.0240 -0.1715 0.9054 0.052 Uiso 1 1 calc R . .
H26B H -0.1513 -0.1596 0.8313 0.052 Uiso 1 1 calc R . .
C8 C 0.3236(5) -0.0795(4) 0.9578(4) 0.0406(14) Uani 1 1 d . . .
H8A H 0.3475 -0.1439 0.9320 0.049 Uiso 1 1 calc R . .
H8B H 0.2390 -0.0845 0.9746 0.049 Uiso 1 1 calc R . .
C31 C -0.0739(4) 0.2030(4) 0.7195(4) 0.0376(14) Uani 1 1 d . . .
H31 H -0.0538 0.1809 0.6550 0.045 Uiso 1 1 calc R . .
C23 C -0.2144(5) 0.0032(4) 1.1028(4) 0.0374(14) Uani 1 1 d . . .
C16 C 0.3984(4) 0.2770(4) 1.1134(3) 0.030 Uani 1 1 d . . .
C25 C -0.0572(4) -0.0267(4) 0.8565(4) 0.0327(13) Uani 1 1 d . . .
H25 H 0.0314 -0.0091 0.8716 0.039 Uiso 1 1 calc R . .
C33 C -0.0289(6) 0.3715(5) 0.6615(4) 0.0500(18) Uani 1 1 d . . .
H33 H -0.0041 0.3428 0.6015 0.060 Uiso 1 1 calc R . .
C14 C 0.4110(5) 0.3956(5) 1.2623(4) 0.0497(17) Uani 1 1 d . . .
H14 H 0.4121 0.4616 1.2851 0.060 Uiso 1 1 calc R . .
C28 C -0.0478(7) -0.1171(5) 0.6520(5) 0.0598(19) Uani 1 1 d . . .
H28A H -0.1314 -0.1409 0.6278 0.072 Uiso 1 1 calc R . .
H28B H 0.0047 -0.1347 0.5991 0.072 Uiso 1 1 calc R . .
C18 C -0.2128(4) 0.1059(4) 1.1265(4) 0.0371(14) Uani 1 1 d . . .
C29 C -0.0511(5) 0.0004(5) 0.6623(4) 0.0478(17) Uani 1 1 d . . .
H29A H 0.0330 0.0268 0.6676 0.057 Uiso 1 1 calc R . .
H29B H -0.0994 0.0288 0.6001 0.057 Uiso 1 1 calc R . .
C32 C -0.0679(4) 0.3087(5) 0.7396(4) 0.0391(14) Uani 1 1 d . . .
C15 C 0.4048(4) 0.3737(5) 1.1542(4) 0.0407(15) Uani 1 1 d . . .
H15 H 0.4049 0.4268 1.1074 0.049 Uiso 1 1 calc R . .
C36 C -0.1101(5) 0.4593(4) 0.8354(5) 0.0441(16) Uani 1 1 d . . .
H36 H -0.1385 0.4901 0.8928 0.053 Uiso 1 1 calc R . .
C2 C 0.2627(5) 0.2021(5) 0.6078(4) 0.0487(18) Uani 1 1 d . . .
H2 H 0.2545 0.2711 0.6127 0.058 Uiso 1 1 calc R . .
C35 C -0.0703(6) 0.5170(5) 0.7567(5) 0.0514(18) Uani 1 1 d . . .
H35 H -0.0731 0.5863 0.7613 0.062 Uiso 1 1 calc R . .
C9 C 0.4107(5) -0.0504(4) 1.0538(4) 0.0350(13) Uani 1 1 d . . .
H9A H 0.3916 -0.0879 1.1144 0.042 Uiso 1 1 calc R . .
H9B H 0.4962 -0.0643 1.0435 0.042 Uiso 1 1 calc R . .
C21 C -0.3106(5) -0.0333(5) 1.2607(5) 0.0499(17) Uani 1 1 d . . .
H21 H -0.3461 -0.0784 1.3034 0.060 Uiso 1 1 calc R . .
C3 C 0.2476(5) 0.1613(5) 0.5156(4) 0.0534(19) Uani 1 1 d . . .
H3 H 0.2206 0.2007 0.4572 0.064 Uiso 1 1 calc R . .
C24 C -0.1602(4) -0.0354(4) 1.0143(4) 0.0333(13) Uani 1 1 d . . .
H24 H -0.1533 -0.1044 1.0095 0.040 Uiso 1 1 calc R . .
C22 C -0.2605(5) -0.0637(4) 1.1713(4) 0.0437(16) Uani 1 1 d . . .
H22 H -0.2576 -0.1317 1.1568 0.052 Uiso 1 1 calc R . .
C12 C 0.4102(5) 0.2228(5) 1.3005(5) 0.0552(19) Uani 1 1 d . . .
H12 H 0.4109 0.1714 1.3495 0.066 Uiso 1 1 calc R . .
C5 C 0.3023(6) 0.0055(5) 0.5896(4) 0.0523(18) Uani 1 1 d . . .
H5 H 0.3186 -0.0623 0.5826 0.063 Uiso 1 1 calc R . .
C4 C 0.2702(6) 0.0612(5) 0.5010(5) 0.0521(19) Uani 1 1 d . . .
H4 H 0.2638 0.0331 0.4341 0.063 Uiso 1 1 calc R . .
C13 C 0.4155(5) 0.3166(5) 1.3360(5) 0.0546(19) Uani 1 1 d . . .
H13 H 0.4219 0.3298 1.4078 0.066 Uiso 1 1 calc R . .
C20 C -0.3046(5) 0.0690(5) 1.2826(5) 0.0501(18) Uani 1 1 d . . .
H20 H -0.3321 0.0923 1.3440 0.060 Uiso 1 1 calc R . .
C27 C -0.0017(5) -0.1675(5) 0.7494(5) 0.053 Uani 1 1 d . . .
H27A H -0.0113 -0.2389 0.7385 0.063 Uiso 1 1 calc R . .
H27B H 0.0868 -0.1538 0.7659 0.063 Uiso 1 1 calc R . .
C34 C -0.0265(6) 0.4729(5) 0.6715(4) 0.0516(18) Uani 1 1 d . . .
H34 H 0.0045 0.5123 0.6210 0.062 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 1.972(4) . ?
Ru1 N2 1.990(3) . ?
Ru1 O2 2.028(3) . ?
Ru1 O1 2.040(3) . ?
Ru1 C17 2.085(4) . ?
Ru1 C38 2.077(4) 1_655 ?
Mn1 O3 1.847(3) . ?
Mn1 O4 1.875(4) . ?
Mn1 N5 1.978(4) . ?
Mn1 N4 1.989(4) . ?
Mn1 N3 2.333(4) . ?
Mn1 N6 2.346(4) . ?
N1 C7 1.300(6) . ?
N1 C8 1.509(7) . ?
N2 C10 1.296(6) . ?
N2 C9 1.478(6) . ?
N3 C17 1.123(6) . ?
N4 C31 1.302(7) . ?
N4 C30 1.456(7) . ?
N5 C24 1.284(6) . ?
N5 C25 1.477(6) . ?
N6 C38 1.159(5) . ?
O1 C16 1.263(5) . ?
O2 C1 1.345(6) . ?
O3 C18 1.329(6) . ?
O4 C37 1.324(6) . ?
C7 C6 1.471(7) . ?
C38 Ru1 2.077(4) 1_455 ?
C1 C6 1.354(8) . ?
C1 C2 1.449(7) . ?
C19 C20 1.304(9) . ?
C19 C18 1.413(7) . ?
C10 C11 1.357(8) . ?
C6 C5 1.381(8) . ?
C37 C32 1.403(7) . ?
C37 C36 1.433(8) . ?
C11 C16 1.445(7) . ?
C11 C12 1.482(8) . ?
C30 C25 1.490(7) . ?
C30 C29 1.528(8) . ?
C26 C27 1.500(9) . ?
C26 C25 1.509(8) . ?
C8 C9 1.497(7) . ?
C31 C32 1.438(8) . ?
C23 C22 1.392(8) . ?
C23 C24 1.439(7) . ?
C23 C18 1.406(8) . ?
C16 C15 1.393(8) . ?
C33 C34 1.362(9) . ?
C33 C32 1.414(8) . ?
C14 C15 1.408(8) . ?
C14 C13 1.413(9) . ?
C28 C27 1.446(9) . ?
C28 C29 1.578(9) . ?
C36 C35 1.383(8) . ?
C2 C3 1.292(8) . ?
C35 C34 1.378(9) . ?
C21 C20 1.398(9) . ?
C21 C22 1.391(8) . ?
C3 C4 1.378(9) . ?
C12 C13 1.333(10) . ?
C5 C4 1.364(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 N2 83.10(15) . . ?
N1 Ru1 O2 90.16(14) . . ?
N2 Ru1 O2 171.09(15) . . ?
N1 Ru1 O1 173.18(14) . . ?
N2 Ru1 O1 90.54(14) . . ?
O2 Ru1 O1 96.42(13) . . ?
N1 Ru1 C17 94.46(17) . . ?
N2 Ru1 C17 87.98(16) . . ?
O2 Ru1 C17 86.73(15) . . ?
O1 Ru1 C17 87.75(16) . . ?
N1 Ru1 C38 90.6(2) . 1_655 ?
N2 Ru1 C38 96.27(17) . 1_655 ?
O2 Ru1 C38 89.59(16) . 1_655 ?
O1 Ru1 C38 87.70(18) . 1_655 ?
C17 Ru1 C38 173.8(2) . 1_655 ?
O3 Mn1 O4 93.38(15) . . ?
O3 Mn1 N5 93.19(16) . . ?
O4 Mn1 N5 173.12(16) . . ?
O3 Mn1 N4 174.27(18) . . ?
O4 Mn1 N4 92.09(19) . . ?
N5 Mn1 N4 81.29(19) . . ?
O3 Mn1 N3 92.52(14) . . ?
O4 Mn1 N3 92.76(15) . . ?
N5 Mn1 N3 84.89(15) . . ?
N4 Mn1 N3 85.51(14) . . ?
O3 Mn1 N6 88.24(14) . . ?
O4 Mn1 N6 93.66(17) . . ?
N5 Mn1 N6 88.60(18) . . ?
N4 Mn1 N6 93.11(13) . . ?
N3 Mn1 N6 173.47(17) . . ?
C7 N1 C8 119.3(4) . . ?
C7 N1 Ru1 128.5(3) . . ?
C8 N1 Ru1 112.2(3) . . ?
C10 N2 C9 122.2(4) . . ?
C10 N2 Ru1 125.0(4) . . ?
C9 N2 Ru1 112.8(3) . . ?
C17 N3 Mn1 157.9(4) . . ?
C31 N4 C30 122.7(4) . . ?
C31 N4 Mn1 124.8(4) . . ?
C30 N4 Mn1 112.3(3) . . ?
C24 N5 C25 123.8(4) . . ?
C24 N5 Mn1 123.0(4) . . ?
C25 N5 Mn1 113.2(3) . . ?
C38 N6 Mn1 155.6(3) . . ?
C16 O1 Ru1 124.6(3) . . ?
C1 O2 Ru1 122.8(3) . . ?
C18 O3 Mn1 125.5(3) . . ?
C37 O4 Mn1 128.0(3) . . ?
N1 C7 C6 123.3(5) . . ?
N6 C38 Ru1 175.5(5) . 1_455 ?
O2 C1 C6 128.8(4) . . ?
O2 C1 C2 116.4(5) . . ?
C6 C1 C2 114.7(5) . . ?
C20 C19 C18 123.9(7) . . ?
N2 C10 C11 126.2(5) . . ?
N3 C17 Ru1 171.4(4) . . ?
C1 C6 C5 121.3(5) . . ?
C1 C6 C7 122.3(5) . . ?
C5 C6 C7 115.5(5) . . ?
O4 C37 C32 124.3(5) . . ?
O4 C37 C36 117.4(4) . . ?
C32 C37 C36 118.2(5) . . ?
C10 C11 C16 126.3(5) . . ?
C10 C11 C12 117.0(5) . . ?
C16 C11 C12 116.6(5) . . ?
N4 C30 C25 108.4(4) . . ?
N4 C30 C29 114.8(4) . . ?
C25 C30 C29 113.4(4) . . ?
C27 C26 C25 109.1(5) . . ?
N1 C8 C9 107.9(4) . . ?
N4 C31 C32 125.1(5) . . ?
C22 C23 C24 118.9(5) . . ?
C22 C23 C18 119.2(5) . . ?
C24 C23 C18 121.7(5) . . ?
O1 C16 C15 118.9(5) . . ?
O1 C16 C11 123.5(5) . . ?
C15 C16 C11 117.3(4) . . ?
C30 C25 N5 104.4(4) . . ?
C30 C25 C26 113.1(4) . . ?
N5 C25 C26 117.0(4) . . ?
C34 C33 C32 121.9(6) . . ?
C15 C14 C13 119.6(6) . . ?
C27 C28 C29 113.6(5) . . ?
O3 C18 C19 119.3(5) . . ?
O3 C18 C23 124.7(5) . . ?
C19 C18 C23 115.9(5) . . ?
C30 C29 C28 109.8(5) . . ?
C37 C32 C33 118.9(5) . . ?
C37 C32 C31 123.0(5) . . ?
C33 C32 C31 117.9(5) . . ?
C16 C15 C14 123.8(5) . . ?
C35 C36 C37 120.3(5) . . ?
C3 C2 C1 122.8(6) . . ?
C34 C35 C36 120.8(6) . . ?
N2 C9 C8 107.6(4) . . ?
C20 C21 C22 116.0(6) . . ?
C2 C3 C4 122.1(6) . . ?
N5 C24 C23 126.1(5) . . ?
C23 C22 C21 122.9(6) . . ?
C13 C12 C11 124.0(6) . . ?
C4 C5 C6 122.2(6) . . ?
C5 C4 C3 116.7(6) . . ?
C12 C13 C14 118.7(6) . . ?
C19 C20 C21 122.0(6) . . ?
C26 C27 C28 115.2(5) . . ?
C35 C34 C33 119.7(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ru1 N1 C7 -166.9(4) . . . . ?
O2 Ru1 N1 C7 19.0(4) . . . . ?
O1 Ru1 N1 C7 -145.6(11) . . . . ?
C17 Ru1 N1 C7 105.7(4) . . . . ?
C38 Ru1 N1 C7 -70.6(4) 1_655 . . . ?
N2 Ru1 N1 C8 11.8(3) . . . . ?
O2 Ru1 N1 C8 -162.4(3) . . . . ?
O1 Ru1 N1 C8 33.0(13) . . . . ?
C17 Ru1 N1 C8 -75.6(3) . . . . ?
C38 Ru1 N1 C8 108.0(3) 1_655 . . . ?
N1 Ru1 N2 C10 -167.1(4) . . . . ?
O2 Ru1 N2 C10 -126.0(9) . . . . ?
O1 Ru1 N2 C10 15.3(4) . . . . ?
C17 Ru1 N2 C10 -72.4(4) . . . . ?
C38 Ru1 N2 C10 103.1(4) 1_655 . . . ?
N1 Ru1 N2 C9 13.4(3) . . . . ?
O2 Ru1 N2 C9 54.5(11) . . . . ?
O1 Ru1 N2 C9 -164.1(3) . . . . ?
C17 Ru1 N2 C9 108.1(3) . . . . ?
C38 Ru1 N2 C9 -76.4(3) 1_655 . . . ?
O3 Mn1 N3 C17 149.4(10) . . . . ?
O4 Mn1 N3 C17 -117.1(10) . . . . ?
N5 Mn1 N3 C17 56.4(10) . . . . ?
N4 Mn1 N3 C17 -25.2(11) . . . . ?
N6 Mn1 N3 C17 52.9(19) . . . . ?
O3 Mn1 N4 C31 -149.1(14) . . . . ?
O4 Mn1 N4 C31 13.6(4) . . . . ?
N5 Mn1 N4 C31 -164.6(4) . . . . ?
N3 Mn1 N4 C31 -79.1(4) . . . . ?
N6 Mn1 N4 C31 107.3(4) . . . . ?
O3 Mn1 N4 C30 26.8(15) . . . . ?
O4 Mn1 N4 C30 -170.5(3) . . . . ?
N5 Mn1 N4 C30 11.4(3) . . . . ?
N3 Mn1 N4 C30 96.9(3) . . . . ?
N6 Mn1 N4 C30 -76.7(3) . . . . ?
O3 Mn1 N5 C24 19.3(4) . . . . ?
O4 Mn1 N5 C24 -178.2(11) . . . . ?
N4 Mn1 N5 C24 -162.2(4) . . . . ?
N3 Mn1 N5 C24 111.6(4) . . . . ?
N6 Mn1 N5 C24 -68.8(4) . . . . ?
O3 Mn1 N5 C25 -161.5(3) . . . . ?
O4 Mn1 N5 C25 1.0(14) . . . . ?
N4 Mn1 N5 C25 16.9(3) . . . . ?
N3 Mn1 N5 C25 -69.3(3) . . . . ?
N6 Mn1 N5 C25 110.3(3) . . . . ?
O3 Mn1 N6 C38 3.3(12) . . . . ?
O4 Mn1 N6 C38 -89.9(12) . . . . ?
N5 Mn1 N6 C38 96.6(12) . . . . ?
N4 Mn1 N6 C38 177.8(12) . . . . ?
N3 Mn1 N6 C38 100.1(17) . . . . ?
N1 Ru1 O1 C16 -42.4(13) . . . . ?
N2 Ru1 O1 C16 -21.3(3) . . . . ?
O2 Ru1 O1 C16 153.1(3) . . . . ?
C17 Ru1 O1 C16 66.6(3) . . . . ?
C38 Ru1 O1 C16 -117.6(4) 1_655 . . . ?
N1 Ru1 O2 C1 -15.6(3) . . . . ?
N2 Ru1 O2 C1 -56.3(11) . . . . ?
O1 Ru1 O2 C1 162.6(3) . . . . ?
C17 Ru1 O2 C1 -110.0(4) . . . . ?
C38 Ru1 O2 C1 75.0(4) 1_655 . . . ?
O4 Mn1 O3 C18 156.2(3) . . . . ?
N5 Mn1 O3 C18 -25.9(4) . . . . ?
N4 Mn1 O3 C18 -41.1(16) . . . . ?
N3 Mn1 O3 C18 -110.9(3) . . . . ?
N6 Mn1 O3 C18 62.6(4) . . . . ?
O3 Mn1 O4 C37 160.4(4) . . . . ?
N5 Mn1 O4 C37 -2.1(14) . . . . ?
N4 Mn1 O4 C37 -17.9(4) . . . . ?
N3 Mn1 O4 C37 67.7(4) . . . . ?
N6 Mn1 O4 C37 -111.1(4) . . . . ?
C8 N1 C7 C6 172.2(4) . . . . ?
Ru1 N1 C7 C6 -9.2(7) . . . . ?
Mn1 N6 C38 Ru1 46(6) . . . 1_455 ?
Ru1 O2 C1 C6 3.0(7) . . . . ?
Ru1 O2 C1 C2 -173.5(3) . . . . ?
C9 N2 C10 C11 172.0(5) . . . . ?
Ru1 N2 C10 C11 -7.4(7) . . . . ?
Mn1 N3 C17 Ru1 70(3) . . . . ?
N1 Ru1 C17 N3 -102(3) . . . . ?
N2 Ru1 C17 N3 175(3) . . . . ?
O2 Ru1 C17 N3 -12(3) . . . . ?
O1 Ru1 C17 N3 84(3) . . . . ?
C38 Ru1 C17 N3 41(4) 1_655 . . . ?
O2 C1 C6 C5 -177.2(5) . . . . ?
C2 C1 C6 C5 -0.7(7) . . . . ?
O2 C1 C6 C7 14.1(8) . . . . ?
C2 C1 C6 C7 -169.4(5) . . . . ?
N1 C7 C6 C1 -11.1(8) . . . . ?
N1 C7 C6 C5 179.6(5) . . . . ?
Mn1 O4 C37 C32 12.9(6) . . . . ?
Mn1 O4 C37 C36 -170.9(3) . . . . ?
N2 C10 C11 C16 -2.4(9) . . . . ?
N2 C10 C11 C12 178.1(5) . . . . ?
C31 N4 C30 C25 139.2(4) . . . . ?
Mn1 N4 C30 C25 -36.8(4) . . . . ?
C31 N4 C30 C29 11.3(6) . . . . ?
Mn1 N4 C30 C29 -164.7(3) . . . . ?
C7 N1 C8 C9 144.8(4) . . . . ?
Ru1 N1 C8 C9 -34.0(5) . . . . ?
C30 N4 C31 C32 -179.9(4) . . . . ?
Mn1 N4 C31 C32 -4.4(6) . . . . ?
Ru1 O1 C16 C15 -167.7(3) . . . . ?
Ru1 O1 C16 C11 19.2(6) . . . . ?
C10 C11 C16 O1 -4.3(8) . . . . ?
C12 C11 C16 O1 175.2(4) . . . . ?
C10 C11 C16 C15 -177.5(5) . . . . ?
C12 C11 C16 C15 2.1(6) . . . . ?
N4 C30 C25 N5 48.0(5) . . . . ?
C29 C30 C25 N5 176.8(4) . . . . ?
N4 C30 C25 C26 176.3(4) . . . . ?
C29 C30 C25 C26 -55.0(6) . . . . ?
C24 N5 C25 C30 139.2(4) . . . . ?
Mn1 N5 C25 C30 -40.0(4) . . . . ?
C24 N5 C25 C26 13.4(6) . . . . ?
Mn1 N5 C25 C26 -165.8(3) . . . . ?
C27 C26 C25 C30 55.4(6) . . . . ?
C27 C26 C25 N5 176.7(4) . . . . ?
Mn1 O3 C18 C19 -162.1(3) . . . . ?
Mn1 O3 C18 C23 19.1(6) . . . . ?
C20 C19 C18 O3 -177.9(4) . . . . ?
C20 C19 C18 C23 1.1(7) . . . . ?
C22 C23 C18 O3 177.7(4) . . . . ?
C24 C23 C18 O3 3.0(7) . . . . ?
C22 C23 C18 C19 -1.2(7) . . . . ?
C24 C23 C18 C19 -175.8(4) . . . . ?
N4 C30 C29 C28 173.5(4) . . . . ?
C25 C30 C29 C28 48.1(6) . . . . ?
C27 C28 C29 C30 -46.7(7) . . . . ?
O4 C37 C32 C33 177.6(4) . . . . ?
C36 C37 C32 C33 1.5(7) . . . . ?
O4 C37 C32 C31 2.7(7) . . . . ?
C36 C37 C32 C31 -173.4(4) . . . . ?
C34 C33 C32 C37 1.5(8) . . . . ?
C34 C33 C32 C31 176.6(5) . . . . ?
N4 C31 C32 C37 -6.7(7) . . . . ?
N4 C31 C32 C33 178.4(5) . . . . ?
O1 C16 C15 C14 -175.9(5) . . . . ?
C11 C16 C15 C14 -2.4(7) . . . . ?
C13 C14 C15 C16 2.2(8) . . . . ?
O4 C37 C36 C35 -178.2(5) . . . . ?
C32 C37 C36 C35 -1.8(7) . . . . ?
O2 C1 C2 C3 -178.2(5) . . . . ?
C6 C1 C2 C3 4.8(8) . . . . ?
C37 C36 C35 C34 -0.8(8) . . . . ?
C10 N2 C9 C8 145.2(5) . . . . ?
Ru1 N2 C9 C8 -35.3(5) . . . . ?
N1 C8 C9 N2 43.5(5) . . . . ?
C1 C2 C3 C4 -6.5(9) . . . . ?
C25 N5 C24 C23 175.3(4) . . . . ?
Mn1 N5 C24 C23 -5.6(7) . . . . ?
C22 C23 C24 N5 175.8(5) . . . . ?
C18 C23 C24 N5 -9.5(7) . . . . ?
C24 C23 C22 C21 177.8(5) . . . . ?
C18 C23 C22 C21 3.0(8) . . . . ?
C20 C21 C22 C23 -4.3(8) . . . . ?
C10 C11 C12 C13 177.7(6) . . . . ?
C16 C11 C12 C13 -1.9(8) . . . . ?
C1 C6 C5 C4 -1.6(9) . . . . ?
C7 C6 C5 C4 167.7(5) . . . . ?
C6 C5 C4 C3 0.3(9) . . . . ?
C2 C3 C4 C5 3.8(9) . . . . ?
C11 C12 C13 C14 1.7(9) . . . . ?
C15 C14 C13 C12 -1.8(8) . . . . ?
C18 C19 C20 C21 -2.6(8) . . . . ?
C22 C21 C20 C19 4.1(8) . . . . ?
C25 C26 C27 C28 -54.9(6) . . . . ?
C29 C28 C27 C26 52.0(8) . . . . ?
C36 C35 C34 C33 3.7(9) . . . . ?
C32 C33 C34 C35 -4.1(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         1.536
_refine_diff_density_min         -1.454
_refine_diff_density_rms         0.176
_database_code_depnum_ccdc_archive 'CCDC 1019503'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rr

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Mn2 N12 O8 Ru2'
_chemical_formula_sum            'C92 H72 Mn2 N12 O8 Ru2'
_chemical_formula_weight         1785.64

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   p1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   13.2812(13)
_cell_length_b                   20.8357(15)
_cell_length_c                   20.9023(15)
_cell_angle_alpha                100.140(2)
_cell_angle_beta                 104.427(3)
_cell_angle_gamma                107.371(2)
_cell_volume                     5146.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    4031
_cell_measurement_theta_min      2.194
_cell_measurement_theta_max      21.621

_exptl_crystal_description       block
_exptl_crystal_colour            dark-green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1820
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8545
_exptl_absorpt_correction_T_max  0.8830
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36290
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.04
_diffrn_reflns_theta_max         26.00
_reflns_number_total             27368
_reflns_number_gt                21224
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0700P)²+1.5500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.030(17)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         27368
_refine_ls_number_parameters     2089
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0569
_refine_ls_wR_factor_ref         0.1416
_refine_ls_wR_factor_gt          0.1411
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9469(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 . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 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_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
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_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.092
_database_code_depnum_ccdc_archive 'CCDC 1019504'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ss

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C92 H72 Mn2 N12 O8 Ru2'
_chemical_formula_weight         1785.64

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   13.3357(16)
_cell_length_b                   20.7715(14)
_cell_length_c                   21.0323(14)
_cell_angle_alpha                100.669(2)
_cell_angle_beta                 104.517(3)
_cell_angle_gamma                106.257(2)
_cell_volume                     5206.2(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    5032
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      24.37

_exptl_crystal_description       block
_exptl_crystal_colour            dark-green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.139
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1820
_exptl_absorpt_coefficient_mu    0.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8560
_exptl_absorpt_correction_T_max  0.8843
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37127
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.04
_diffrn_reflns_theta_max         26.00
_reflns_number_total             28163
_reflns_number_gt                21528
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0808P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(15)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         28163
_refine_ls_number_parameters     2089
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0562
_refine_ls_wR_factor_ref         0.1403
_refine_ls_wR_factor_gt          0.1397
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0504(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 . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 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_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
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_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.095


#===END
_database_code_depnum_ccdc_archive 'CCDC 1019505'
