# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2011


data_global

_journal_coden_Cambridge         1475

loop_
_publ_author_name
'Severin, Kay'
'Kilbas, Benan'
'Mirtschin, Sebastian'
'Scopelliti, Rosario'

_publ_contact_author_name        'Severin, Kay'
_publ_contact_author_email       kay.severin@epfl.ch

_publ_section_title              
;
A solvent-responsive coordination cage
;

# Attachment '- complex_1.cif'

data_bk24f
_database_code_depnum_ccdc_archive 'CCDC 847956'
#TrackingRef '- complex_1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H46 N2 O14 Ru2'
_chemical_formula_sum            'C40 H46 N2 O14 Ru2'
_chemical_formula_weight         980.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

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

_cell_length_a                   23.769(3)
_cell_length_b                   15.938(3)
_cell_length_c                   13.3495(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.022(9)
_cell_angle_gamma                90.00
_cell_volume                     4946.5(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    225
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2000
_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4333
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38422
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.04
_diffrn_reflns_theta_max         27.50
_reflns_number_total             5677
_reflns_number_gt                5080
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+9.9229P] where P=(Fo^2^+2Fc^2^)/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_number_reflns         5677
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0759
_refine_ls_wR_factor_gt          0.0729
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.001
_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 0.144541(6) -0.089992(9) -0.072313(11) 0.01178(6) Uani 1 1 d . . .
O1 O 0.11043(6) 0.01966(8) -0.02117(11) 0.0156(3) Uani 1 1 d . . .
O2 O 0.18371(6) 0.10955(9) -0.02677(12) 0.0205(3) Uani 1 1 d . . .
O3 O 0.04400(6) 0.14006(8) 0.02476(10) 0.0143(3) Uani 1 1 d . . .
O4 O -0.06197(6) 0.12757(8) 0.05933(10) 0.0151(3) Uani 1 1 d . . .
O5 O -0.06541(7) 0.26617(9) 0.09589(13) 0.0268(3) Uani 1 1 d . . .
O6 O 0.15604(6) 0.29348(9) 0.04538(12) 0.0224(3) Uani 1 1 d . . .
O7 O 0.04664(7) 0.35788(9) 0.08697(12) 0.0238(3) Uani 1 1 d . . .
N1 N 0.09989(7) -0.04528(11) -0.21412(13) 0.0168(3) Uani 1 1 d . . .
C1 C 0.13516(8) 0.09260(11) -0.01389(15) 0.0139(4) Uani 1 1 d . . .
C2 C 0.09876(8) 0.16126(12) 0.01477(14) 0.0146(4) Uani 1 1 d . . .
C3 C 0.10806(8) 0.24532(12) 0.03777(15) 0.0164(4) Uani 1 1 d . . .
C4 C 0.05613(9) 0.27619(12) 0.06301(16) 0.0173(4) Uani 1 1 d . . .
C5 C 0.01849(8) 0.21038(12) 0.05498(15) 0.0161(4) Uani 1 1 d . . .
C6 C -0.04142(9) 0.20307(12) 0.07201(15) 0.0164(4) Uani 1 1 d . . .
C7 C 0.17725(10) 0.30520(15) -0.04726(18) 0.0268(5) Uani 1 1 d . . .
H7A H 0.1882 0.2508 -0.0715 0.040 Uiso 1 1 calc R . .
H7B H 0.2109 0.3423 -0.0334 0.040 Uiso 1 1 calc R . .
H7C H 0.1471 0.3305 -0.0998 0.040 Uiso 1 1 calc R . .
C8 C 0.07126(14) 0.37786(17) 0.1917(2) 0.0406(6) Uani 1 1 d . . .
H8A H 0.0560 0.3395 0.2369 0.061 Uiso 1 1 calc R . .
H8B H 0.0615 0.4357 0.2060 0.061 Uiso 1 1 calc R . .
H8C H 0.1132 0.3719 0.2038 0.061 Uiso 1 1 calc R . .
C9 C 0.06928(8) -0.01422(12) -0.28151(15) 0.0147(4) Uani 1 1 d . . .
C10 C 0.02960(8) 0.02798(12) -0.36432(14) 0.0158(4) Uani 1 1 d . . .
H10A H 0.0173 0.0813 -0.3393 0.024 Uiso 1 1 calc R . .
H10B H -0.0041 -0.0078 -0.3882 0.024 Uiso 1 1 calc R . .
H10C H 0.0490 0.0388 -0.4211 0.024 Uiso 1 1 calc R . .
C11 C 0.21394(8) -0.13798(13) -0.14213(15) 0.0178(4) Uani 1 1 d . . .
C12 C 0.23455(8) -0.06748(13) -0.07868(15) 0.0170(4) Uani 1 1 d . . .
H12 H 0.2529 -0.0224 -0.1058 0.020 Uiso 1 1 calc R . .
C13 C 0.22785(8) -0.06437(13) 0.02387(15) 0.0169(4) Uani 1 1 d . . .
H13 H 0.2413 -0.0165 0.0642 0.020 Uiso 1 1 calc R . .
C14 C 0.20134(8) -0.13124(13) 0.06908(15) 0.0159(4) Uani 1 1 d . . .
C15 C 0.18240(8) -0.20201(12) 0.00630(15) 0.0167(4) Uani 1 1 d . . .
H15 H 0.1652 -0.2478 0.0343 0.020 Uiso 1 1 calc R . .
C16 C 0.18851(8) -0.20614(13) -0.09786(16) 0.0176(4) Uani 1 1 d . . .
H16 H 0.1756 -0.2544 -0.1378 0.021 Uiso 1 1 calc R . .
C17 C 0.21638(10) -0.13713(14) -0.25368(16) 0.0234(4) Uani 1 1 d . . .
H17A H 0.2102 -0.0798 -0.2802 0.035 Uiso 1 1 calc R . .
H17B H 0.1863 -0.1739 -0.2917 0.035 Uiso 1 1 calc R . .
H17C H 0.2541 -0.1571 -0.2619 0.035 Uiso 1 1 calc R . .
C18 C 0.19074(9) -0.12028(13) 0.17695(15) 0.0183(4) Uani 1 1 d . . .
H18 H 0.1761 -0.0619 0.1817 0.022 Uiso 1 1 calc R . .
C19 C 0.14542(10) -0.18011(15) 0.20193(17) 0.0239(4) Uani 1 1 d . . .
H19A H 0.1105 -0.1768 0.1480 0.036 Uiso 1 1 calc R . .
H19B H 0.1363 -0.1643 0.2677 0.036 Uiso 1 1 calc R . .
H19C H 0.1603 -0.2376 0.2062 0.036 Uiso 1 1 calc R . .
C20 C 0.24757(9) -0.12759(15) 0.25589(16) 0.0230(4) Uani 1 1 d . . .
H20A H 0.2640 -0.1835 0.2515 0.034 Uiso 1 1 calc R . .
H20B H 0.2404 -0.1190 0.3248 0.034 Uiso 1 1 calc R . .
H20C H 0.2746 -0.0850 0.2417 0.034 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01085(9) 0.01207(9) 0.01258(9) 0.00059(5) 0.00279(6) 0.00227(5)
O1 0.0136(6) 0.0120(6) 0.0217(7) -0.0027(5) 0.0050(5) -0.0001(5)
O2 0.0155(7) 0.0183(7) 0.0298(8) -0.0010(6) 0.0097(6) -0.0021(6)
O3 0.0132(6) 0.0121(6) 0.0184(7) -0.0032(5) 0.0047(5) -0.0012(5)
O4 0.0140(6) 0.0120(6) 0.0198(7) -0.0008(5) 0.0045(5) 0.0004(5)
O5 0.0243(8) 0.0149(7) 0.0440(10) -0.0070(6) 0.0140(7) 0.0021(6)
O6 0.0206(7) 0.0218(7) 0.0261(8) -0.0062(6) 0.0081(6) -0.0106(6)
O7 0.0277(8) 0.0101(7) 0.0342(9) -0.0045(6) 0.0082(7) -0.0007(6)
N1 0.0162(8) 0.0186(8) 0.0157(8) 0.0004(6) 0.0039(6) 0.0020(6)
C1 0.0149(9) 0.0134(9) 0.0129(9) -0.0007(6) 0.0018(7) -0.0008(7)
C2 0.0131(8) 0.0153(9) 0.0154(9) -0.0011(7) 0.0033(7) -0.0020(7)
C3 0.0169(9) 0.0154(9) 0.0167(9) -0.0008(7) 0.0031(7) -0.0030(7)
C4 0.0191(9) 0.0120(9) 0.0208(10) -0.0011(7) 0.0045(7) -0.0001(7)
C5 0.0172(9) 0.0123(9) 0.0192(9) -0.0018(7) 0.0044(7) 0.0026(7)
C6 0.0171(9) 0.0138(9) 0.0185(9) -0.0016(7) 0.0043(7) 0.0005(7)
C7 0.0270(11) 0.0258(11) 0.0291(12) 0.0011(9) 0.0093(9) -0.0103(9)
C8 0.0595(18) 0.0248(12) 0.0348(14) -0.0123(10) 0.0039(13) 0.0031(12)
C9 0.0152(9) 0.0136(8) 0.0169(9) -0.0015(7) 0.0069(7) -0.0013(7)
C10 0.0165(9) 0.0169(9) 0.0139(9) 0.0027(7) 0.0030(7) 0.0016(7)
C11 0.0136(9) 0.0232(10) 0.0177(10) 0.0023(7) 0.0060(7) 0.0075(7)
C12 0.0105(8) 0.0218(10) 0.0196(10) 0.0038(8) 0.0051(7) 0.0026(7)
C13 0.0112(8) 0.0203(10) 0.0181(10) 0.0010(7) 0.0004(7) 0.0017(7)
C14 0.0119(8) 0.0193(10) 0.0156(9) 0.0027(7) 0.0010(7) 0.0059(7)
C15 0.0160(9) 0.0152(9) 0.0190(10) 0.0043(7) 0.0039(7) 0.0077(7)
C16 0.0151(9) 0.0169(9) 0.0211(10) 0.0002(7) 0.0046(7) 0.0070(7)
C17 0.0261(11) 0.0271(11) 0.0184(10) 0.0021(8) 0.0083(8) 0.0083(9)
C18 0.0199(10) 0.0189(10) 0.0164(9) 0.0013(7) 0.0045(8) 0.0064(8)
C19 0.0243(10) 0.0297(11) 0.0190(10) 0.0041(8) 0.0073(8) 0.0033(9)
C20 0.0229(10) 0.0281(11) 0.0168(10) -0.0015(8) 0.0017(8) 0.0069(8)

_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 2.0931(17) . ?
Ru1 O4 2.0933(14) 5 ?
Ru1 O1 2.0996(14) . ?
Ru1 C13 2.1628(19) . ?
Ru1 C15 2.1691(19) . ?
Ru1 C14 2.1808(19) . ?
Ru1 C16 2.1873(19) . ?
Ru1 C12 2.1883(19) . ?
Ru1 C11 2.1945(19) . ?
O1 C1 1.297(2) . ?
O2 C1 1.232(2) . ?
O3 C5 1.374(2) . ?
O3 C2 1.378(2) . ?
O4 C6 1.297(2) . ?
O4 Ru1 2.0933(14) 5 ?
O5 C6 1.230(2) . ?
O6 C3 1.361(2) . ?
O6 C7 1.441(3) . ?
O7 C4 1.371(2) . ?
O7 C8 1.434(3) . ?
N1 C9 1.145(3) . ?
C1 C2 1.493(3) . ?
C2 C3 1.382(3) . ?
C3 C4 1.433(3) . ?
C4 C5 1.368(3) . ?
C5 C6 1.493(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.459(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C16 1.430(3) . ?
C11 C12 1.431(3) . ?
C11 C17 1.502(3) . ?
C12 C13 1.412(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.434(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.421(3) . ?
C14 C18 1.523(3) . ?
C15 C16 1.429(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.527(3) . ?
C18 C20 1.535(3) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?

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 O4 82.23(6) . 5 ?
N1 Ru1 O1 81.57(6) . . ?
O4 Ru1 O1 77.24(5) 5 . ?
N1 Ru1 C13 134.57(7) . . ?
O4 Ru1 C13 139.74(7) 5 . ?
O1 Ru1 C13 91.01(7) . . ?
N1 Ru1 C15 143.03(7) . . ?
O4 Ru1 C15 91.49(7) 5 . ?
O1 Ru1 C15 132.62(7) . . ?
C13 Ru1 C15 68.40(8) . . ?
N1 Ru1 C14 172.44(7) . . ?
O4 Ru1 C14 105.32(7) 5 . ?
O1 Ru1 C14 100.42(6) . . ?
C13 Ru1 C14 38.54(8) . . ?
C15 Ru1 C14 38.14(7) . . ?
N1 Ru1 C16 108.42(7) . . ?
O4 Ru1 C16 104.92(7) 5 . ?
O1 Ru1 C16 169.93(7) . . ?
C13 Ru1 C16 81.04(8) . . ?
C15 Ru1 C16 38.30(7) . . ?
C14 Ru1 C16 69.51(7) . . ?
N1 Ru1 C12 102.98(7) . . ?
O4 Ru1 C12 172.37(6) 5 . ?
O1 Ru1 C12 108.85(7) . . ?
C13 Ru1 C12 37.86(8) . . ?
C15 Ru1 C12 80.99(8) . . ?
C14 Ru1 C12 69.45(7) . . ?
C16 Ru1 C12 68.28(8) . . ?
N1 Ru1 C11 91.09(7) . . ?
O4 Ru1 C11 137.40(7) 5 . ?
O1 Ru1 C11 143.47(7) . . ?
C13 Ru1 C11 69.00(8) . . ?
C15 Ru1 C11 69.26(7) . . ?
C14 Ru1 C11 82.99(7) . . ?
C16 Ru1 C11 38.08(8) . . ?
C12 Ru1 C11 38.11(8) . . ?
C1 O1 Ru1 124.80(12) . . ?
C5 O3 C2 108.18(15) . . ?
C6 O4 Ru1 126.08(12) . 5 ?
C3 O6 C7 116.52(16) . . ?
C4 O7 C8 112.63(17) . . ?
C9 N1 Ru1 167.77(16) . . ?
O2 C1 O1 127.54(18) . . ?
O2 C1 C2 118.99(17) . . ?
O1 C1 C2 113.47(17) . . ?
O3 C2 C3 109.07(16) . . ?
O3 C2 C1 117.03(16) . . ?
C3 C2 C1 133.87(18) . . ?
O6 C3 C2 131.00(18) . . ?
O6 C3 C4 122.58(17) . . ?
C2 C3 C4 106.24(17) . . ?
C5 C4 O7 127.57(19) . . ?
C5 C4 C3 107.43(17) . . ?
O7 C4 C3 124.96(18) . . ?
C4 C5 O3 109.08(17) . . ?
C4 C5 C6 132.60(18) . . ?
O3 C5 C6 118.32(16) . . ?
O5 C6 O4 127.61(19) . . ?
O5 C6 C5 118.95(18) . . ?
O4 C6 C5 113.45(16) . . ?
O6 C7 H7A 109.5 . . ?
O6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O7 C8 H8A 109.5 . . ?
O7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 177.5(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 118.30(18) . . ?
C16 C11 C17 121.57(19) . . ?
C12 C11 C17 120.04(19) . . ?
C16 C11 Ru1 70.68(11) . . ?
C12 C11 Ru1 70.71(11) . . ?
C17 C11 Ru1 127.26(14) . . ?
C13 C12 C11 120.53(19) . . ?
C13 C12 Ru1 70.09(11) . . ?
C11 C12 Ru1 71.18(11) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
Ru1 C12 H12 131.9 . . ?
C12 C13 C14 122.03(19) . . ?
C12 C13 Ru1 72.05(11) . . ?
C14 C13 Ru1 71.41(11) . . ?
C12 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
Ru1 C13 H13 130.3 . . ?
C15 C14 C13 117.05(18) . . ?
C15 C14 C18 123.65(18) . . ?
C13 C14 C18 119.12(18) . . ?
C15 C14 Ru1 70.48(11) . . ?
C13 C14 Ru1 70.05(11) . . ?
C18 C14 Ru1 126.11(13) . . ?
C14 C15 C16 121.75(19) . . ?
C14 C15 Ru1 71.38(11) . . ?
C16 C15 Ru1 71.54(11) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
Ru1 C15 H15 130.8 . . ?
C15 C16 C11 120.31(19) . . ?
C15 C16 Ru1 70.16(11) . . ?
C11 C16 Ru1 71.23(11) . . ?
C15 C16 H16 119.8 . . ?
C11 C16 H16 119.8 . . ?
Ru1 C16 H16 131.6 . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 C19 113.46(18) . . ?
C14 C18 C20 110.20(17) . . ?
C19 C18 C20 111.27(17) . . ?
C14 C18 H18 107.2 . . ?
C19 C18 H18 107.2 . . ?
C20 C18 H18 107.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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 Ru1 O1 C1 -88.78(15) . . . . ?
O4 Ru1 O1 C1 -172.66(15) 5 . . . ?
C13 Ru1 O1 C1 46.20(15) . . . . ?
C15 Ru1 O1 C1 107.25(16) . . . . ?
C14 Ru1 O1 C1 83.82(15) . . . . ?
C16 Ru1 O1 C1 83.8(4) . . . . ?
C12 Ru1 O1 C1 12.14(16) . . . . ?
C11 Ru1 O1 C1 -8.5(2) . . . . ?
O4 Ru1 N1 C9 50.9(8) 5 . . . ?
O1 Ru1 N1 C9 -27.3(8) . . . . ?
C13 Ru1 N1 C9 -110.3(8) . . . . ?
C15 Ru1 N1 C9 133.0(7) . . . . ?
C16 Ru1 N1 C9 154.1(8) . . . . ?
C12 Ru1 N1 C9 -134.8(8) . . . . ?
C11 Ru1 N1 C9 -171.4(8) . . . . ?
Ru1 O1 C1 O2 -6.5(3) . . . . ?
Ru1 O1 C1 C2 174.29(12) . . . . ?
C5 O3 C2 C3 -0.5(2) . . . . ?
C5 O3 C2 C1 177.73(16) . . . . ?
O2 C1 C2 O3 177.71(17) . . . . ?
O1 C1 C2 O3 -3.0(2) . . . . ?
O2 C1 C2 C3 -4.6(3) . . . . ?
O1 C1 C2 C3 174.7(2) . . . . ?
C7 O6 C3 C2 64.6(3) . . . . ?
C7 O6 C3 C4 -121.1(2) . . . . ?
O3 C2 C3 O6 175.08(19) . . . . ?
C1 C2 C3 O6 -2.7(4) . . . . ?
O3 C2 C3 C4 0.1(2) . . . . ?
C1 C2 C3 C4 -177.8(2) . . . . ?
C8 O7 C4 C5 101.0(3) . . . . ?
C8 O7 C4 C3 -81.5(3) . . . . ?
O6 C3 C4 C5 -175.13(18) . . . . ?
C2 C3 C4 C5 0.4(2) . . . . ?
O6 C3 C4 O7 6.9(3) . . . . ?
C2 C3 C4 O7 -177.53(19) . . . . ?
O7 C4 C5 O3 177.14(19) . . . . ?
C3 C4 C5 O3 -0.7(2) . . . . ?
O7 C4 C5 C6 -2.6(4) . . . . ?
C3 C4 C5 C6 179.5(2) . . . . ?
C2 O3 C5 C4 0.8(2) . . . . ?
C2 O3 C5 C6 -179.45(16) . . . . ?
Ru1 O4 C6 O5 1.7(3) 5 . . . ?
Ru1 O4 C6 C5 -178.55(12) 5 . . . ?
C4 C5 C6 O5 2.0(3) . . . . ?
O3 C5 C6 O5 -177.70(18) . . . . ?
C4 C5 C6 O4 -177.8(2) . . . . ?
O3 C5 C6 O4 2.5(3) . . . . ?
N1 Ru1 C11 C16 -119.21(12) . . . . ?
O4 Ru1 C11 C16 -39.54(16) 5 . . . ?
O1 Ru1 C11 C16 163.55(11) . . . . ?
C13 Ru1 C11 C16 102.67(13) . . . . ?
C15 Ru1 C11 C16 28.70(11) . . . . ?
C14 Ru1 C11 C16 65.50(12) . . . . ?
C12 Ru1 C11 C16 130.91(17) . . . . ?
N1 Ru1 C11 C12 109.88(12) . . . . ?
O4 Ru1 C11 C12 -170.45(10) 5 . . . ?
O1 Ru1 C11 C12 32.64(17) . . . . ?
C13 Ru1 C11 C12 -28.24(12) . . . . ?
C15 Ru1 C11 C12 -102.21(13) . . . . ?
C14 Ru1 C11 C12 -65.41(12) . . . . ?
C16 Ru1 C11 C12 -130.91(17) . . . . ?
N1 Ru1 C11 C17 -3.72(19) . . . . ?
O4 Ru1 C11 C17 76.0(2) 5 . . . ?
O1 Ru1 C11 C17 -81.0(2) . . . . ?
C13 Ru1 C11 C17 -141.8(2) . . . . ?
C15 Ru1 C11 C17 144.2(2) . . . . ?
C14 Ru1 C11 C17 -179.0(2) . . . . ?
C16 Ru1 C11 C17 115.5(2) . . . . ?
C12 Ru1 C11 C17 -113.6(2) . . . . ?
C16 C11 C12 C13 -2.3(3) . . . . ?
C17 C11 C12 C13 174.38(18) . . . . ?
Ru1 C11 C12 C13 51.79(16) . . . . ?
C16 C11 C12 Ru1 -54.10(15) . . . . ?
C17 C11 C12 Ru1 122.58(18) . . . . ?
N1 Ru1 C12 C13 151.26(12) . . . . ?
O1 Ru1 C12 C13 65.87(13) . . . . ?
C15 Ru1 C12 C13 -66.22(12) . . . . ?
C14 Ru1 C12 C13 -28.50(12) . . . . ?
C16 Ru1 C12 C13 -103.84(13) . . . . ?
C11 Ru1 C12 C13 -133.96(18) . . . . ?
N1 Ru1 C12 C11 -74.78(12) . . . . ?
O1 Ru1 C12 C11 -160.17(11) . . . . ?
C13 Ru1 C12 C11 133.96(18) . . . . ?
C15 Ru1 C12 C11 67.74(12) . . . . ?
C14 Ru1 C12 C11 105.46(13) . . . . ?
C16 Ru1 C12 C11 30.12(11) . . . . ?
C11 C12 C13 C14 1.0(3) . . . . ?
Ru1 C12 C13 C14 53.28(16) . . . . ?
C11 C12 C13 Ru1 -52.28(16) . . . . ?
N1 Ru1 C13 C12 -41.12(16) . . . . ?
O4 Ru1 C13 C12 168.48(10) 5 . . . ?
O1 Ru1 C13 C12 -120.25(12) . . . . ?
C15 Ru1 C13 C12 103.58(13) . . . . ?
C14 Ru1 C13 C12 134.20(18) . . . . ?
C16 Ru1 C13 C12 65.95(12) . . . . ?
C11 Ru1 C13 C12 28.42(12) . . . . ?
N1 Ru1 C13 C14 -175.32(11) . . . . ?
O4 Ru1 C13 C14 34.29(16) 5 . . . ?
O1 Ru1 C13 C14 105.55(12) . . . . ?
C15 Ru1 C13 C14 -30.62(11) . . . . ?
C16 Ru1 C13 C14 -68.25(12) . . . . ?
C12 Ru1 C13 C14 -134.20(18) . . . . ?
C11 Ru1 C13 C14 -105.78(13) . . . . ?
C12 C13 C14 C15 0.7(3) . . . . ?
Ru1 C13 C14 C15 54.24(15) . . . . ?
C12 C13 C14 C18 -174.60(17) . . . . ?
Ru1 C13 C14 C18 -121.03(16) . . . . ?
C12 C13 C14 Ru1 -53.56(17) . . . . ?
O4 Ru1 C14 C15 72.24(12) 5 . . . ?
O1 Ru1 C14 C15 151.72(11) . . . . ?
C13 Ru1 C14 C15 -129.94(17) . . . . ?
C16 Ru1 C14 C15 -28.28(12) . . . . ?
C12 Ru1 C14 C15 -101.91(13) . . . . ?
C11 Ru1 C14 C15 -65.09(12) . . . . ?
O4 Ru1 C14 C13 -157.83(11) 5 . . . ?
O1 Ru1 C14 C13 -78.34(12) . . . . ?
C15 Ru1 C14 C13 129.94(17) . . . . ?
C16 Ru1 C14 C13 101.65(13) . . . . ?
C12 Ru1 C14 C13 28.02(12) . . . . ?
C11 Ru1 C14 C13 64.84(12) . . . . ?
O4 Ru1 C14 C18 -45.74(18) 5 . . . ?
O1 Ru1 C14 C18 33.74(18) . . . . ?
C13 Ru1 C14 C18 112.1(2) . . . . ?
C15 Ru1 C14 C18 -118.0(2) . . . . ?
C16 Ru1 C14 C18 -146.26(19) . . . . ?
C12 Ru1 C14 C18 140.11(19) . . . . ?
C11 Ru1 C14 C18 176.93(18) . . . . ?
C13 C14 C15 C16 -1.0(3) . . . . ?
C18 C14 C15 C16 174.03(17) . . . . ?
Ru1 C14 C15 C16 53.01(16) . . . . ?
C13 C14 C15 Ru1 -54.02(15) . . . . ?
C18 C14 C15 Ru1 121.01(18) . . . . ?
N1 Ru1 C15 C14 167.72(11) . . . . ?
O4 Ru1 C15 C14 -113.25(11) 5 . . . ?
O1 Ru1 C15 C14 -39.29(15) . . . . ?
C13 Ru1 C15 C14 30.92(12) . . . . ?
C16 Ru1 C15 C14 134.27(18) . . . . ?
C12 Ru1 C15 C14 68.08(12) . . . . ?
C11 Ru1 C15 C14 105.72(13) . . . . ?
N1 Ru1 C15 C16 33.45(18) . . . . ?
O4 Ru1 C15 C16 112.49(12) 5 . . . ?
O1 Ru1 C15 C16 -173.56(10) . . . . ?
C13 Ru1 C15 C16 -103.35(13) . . . . ?
C14 Ru1 C15 C16 -134.27(18) . . . . ?
C12 Ru1 C15 C16 -66.19(12) . . . . ?
C11 Ru1 C15 C16 -28.55(12) . . . . ?
C14 C15 C16 C11 -0.3(3) . . . . ?
Ru1 C15 C16 C11 52.62(16) . . . . ?
C14 C15 C16 Ru1 -52.94(16) . . . . ?
C12 C11 C16 C15 2.0(3) . . . . ?
C17 C11 C16 C15 -174.65(18) . . . . ?
Ru1 C11 C16 C15 -52.14(16) . . . . ?
C12 C11 C16 Ru1 54.11(15) . . . . ?
C17 C11 C16 Ru1 -122.52(18) . . . . ?
N1 Ru1 C16 C15 -159.55(11) . . . . ?
O4 Ru1 C16 C15 -72.92(12) 5 . . . ?
O1 Ru1 C16 C15 28.2(4) . . . . ?
C13 Ru1 C16 C15 66.33(12) . . . . ?
C14 Ru1 C16 C15 28.17(12) . . . . ?
C12 Ru1 C16 C15 103.43(13) . . . . ?
C11 Ru1 C16 C15 133.57(17) . . . . ?
N1 Ru1 C16 C11 66.89(12) . . . . ?
O4 Ru1 C16 C11 153.52(11) 5 . . . ?
O1 Ru1 C16 C11 -105.4(4) . . . . ?
C13 Ru1 C16 C11 -67.24(12) . . . . ?
C15 Ru1 C16 C11 -133.57(17) . . . . ?
C14 Ru1 C16 C11 -105.39(13) . . . . ?
C12 Ru1 C16 C11 -30.13(11) . . . . ?
C15 C14 C18 C19 -14.6(3) . . . . ?
C13 C14 C18 C19 160.31(17) . . . . ?
Ru1 C14 C18 C19 74.7(2) . . . . ?
C15 C14 C18 C20 110.9(2) . . . . ?
C13 C14 C18 C20 -74.2(2) . . . . ?
Ru1 C14 C18 C20 -159.74(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.752
_refine_diff_density_rms         0.081

# SQUEEZE RESULTS (APPEND TO CIF)
# 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 0.500 0.000 0.021 611 135 ' '
2 1.000 0.500 -0.006 611 135 ' '
_platon_squeeze_details          
;
;

# Attachment '- complex_3.cif'

data_bk200a
_database_code_depnum_ccdc_archive 'CCDC 847957'
#TrackingRef '- complex_3.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C236 H224 N8 O56 Ru8, 23(C H Cl3)'
_chemical_formula_sum            'C259 H247 Cl69 N8 O56 Ru8'
_chemical_formula_weight         7622.26

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'
Cl Cl 0.1484 0.1585 '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   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.0499(16)
_cell_length_b                   24.504(4)
_cell_length_c                   26.963(4)
_cell_angle_alpha                70.041(10)
_cell_angle_beta                 77.399(12)
_cell_angle_gamma                81.696(9)
_cell_volume                     9699(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    257
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3830
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3943
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            113529
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         22.99
_reflns_number_total             26459
_reflns_number_gt                17547
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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_number_reflns         26459
_refine_ls_number_parameters     1796
_refine_ls_number_restraints     698
_refine_ls_R_factor_all          0.1571
_refine_ls_R_factor_gt           0.1234
_refine_ls_wR_factor_ref         0.3818
_refine_ls_wR_factor_gt          0.3466
_refine_ls_goodness_of_fit_ref   1.480
_refine_ls_restrained_S_all      1.481
_refine_ls_shift/su_max          0.001
_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 0.41565(6) 0.87591(5) 0.72136(4) 0.0555(3) Uani 1 1 d . . .
Ru2 Ru 0.47432(10) 0.84455(6) 0.07925(5) 0.0924(5) Uani 1 1 d . . .
Ru3 Ru 0.97579(6) 0.32058(4) 0.21066(3) 0.0420(3) Uani 1 1 d . . .
Ru4 Ru 0.92345(6) 0.34842(4) 0.84178(3) 0.0417(3) Uani 1 1 d . . .
O1 O 0.3144(5) 0.8676(4) 0.6882(3) 0.0512(19) Uani 1 1 d . . .
O2 O 0.3224(6) 0.9459(5) 0.6149(3) 0.072(3) Uani 1 1 d . . .
O3 O 0.1794(4) 0.8329(3) 0.6667(3) 0.0425(17) Uani 1 1 d . . .
O4 O 0.0876(4) 0.7425(3) 0.7224(3) 0.0403(16) Uani 1 1 d . . .
O5 O -0.0074(5) 0.7701(3) 0.6668(3) 0.0502(19) Uani 1 1 d . . .
O6 O 0.2015(8) 0.9475(7) 0.5429(5) 0.115(5) Uani 1 1 d D . .
O7 O 0.0533(8) 0.8680(6) 0.5665(4) 0.099(4) Uani 1 1 d . . .
O8 O 0.3549(7) 0.8359(4) 0.1298(4) 0.074(3) Uani 1 1 d . . .
O9 O 0.3289(10) 0.9240(4) 0.1397(7) 0.129(6) Uani 1 1 d . . .
O10 O 0.1938(6) 0.8092(3) 0.1725(3) 0.056(2) Uani 1 1 d . . .
O11 O 0.1146(5) 0.7210(3) 0.1765(3) 0.0499(19) Uani 1 1 d . . .
O12 O -0.0092(6) 0.7514(4) 0.2207(4) 0.066(2) Uani 1 1 d . . .
O13 O 0.1622(11) 0.9365(5) 0.2132(7) 0.136(6) Uani 1 1 d . . .
O14 O 0.0066(9) 0.8594(4) 0.2477(5) 0.096(4) Uani 1 1 d D . .
O15 O 0.8516(5) 0.3317(3) 0.1963(3) 0.0489(19) Uani 1 1 d . . .
O16 O 0.8589(7) 0.4118(4) 0.1225(3) 0.067(2) Uani 1 1 d . . .
O17 O 0.7143(5) 0.3011(4) 0.1763(3) 0.051(2) Uani 1 1 d . . .
O18 O 0.6279(5) 0.2054(4) 0.2301(3) 0.057(2) Uani 1 1 d . . .
O19 O 0.5336(6) 0.2336(5) 0.1730(4) 0.075(3) Uani 1 1 d . . .
O20 O 0.7130(7) 0.4243(4) 0.0592(4) 0.088(3) Uani 1 1 d . . .
O21 O 0.5717(7) 0.3443(5) 0.0833(5) 0.099(4) Uani 1 1 d . . .
O22 O 0.7902(4) 0.3549(3) 0.8647(3) 0.0428(17) Uani 1 1 d . . .
O23 O 0.7641(6) 0.4480(4) 0.8686(4) 0.061(2) Uani 1 1 d . . .
O24 O 0.6258(4) 0.3347(3) 0.8964(3) 0.0433(17) Uani 1 1 d . . .
O25 O 0.5524(6) 0.2400(4) 0.9067(3) 0.066(2) Uani 1 1 d . . .
O26 O 0.4227(7) 0.2755(6) 0.9390(4) 0.101(4) Uani 1 1 d . . .
O27 O 0.5716(7) 0.4804(4) 0.9011(4) 0.074(3) Uani 1 1 d . . .
O28 O 0.4219(5) 0.4038(5) 0.9309(3) 0.076(3) Uani 1 1 d . . .
N1 N 0.4852(6) 0.8284(4) 0.6715(4) 0.044(2) Uani 1 1 d . . .
N2 N 0.5283(9) 0.8096(5) 0.1497(4) 0.076(4) Uani 1 1 d . . .
N3 N 0.9325(6) 0.3780(4) 0.2565(3) 0.042(2) Uani 1 1 d . . .
N4 N 0.9027(5) 0.3997(4) 0.7647(3) 0.039(2) Uani 1 1 d . . .
C1 C 0.7164(7) 0.6463(5) 0.4473(4) 0.042(2) Uani 1 1 d U . .
C2 C 0.7671(7) 0.5966(5) 0.4562(4) 0.044(2) Uani 1 1 d U . .
C3 C 0.4925(7) 0.8518(5) 0.6186(5) 0.047(3) Uani 1 1 d U . .
H3 H 0.4677 0.8903 0.6050 0.056 Uiso 1 1 calc R . .
C4 C 0.5337(7) 0.8242(5) 0.5817(5) 0.045(2) Uani 1 1 d U . .
H4 H 0.5348 0.8427 0.5444 0.054 Uiso 1 1 calc R . .
C5 C 0.5734(7) 0.7686(5) 0.6011(5) 0.045(2) Uani 1 1 d U . .
C6 C 0.5696(7) 0.7435(6) 0.6555(5) 0.052(3) Uani 1 1 d U . .
H6 H 0.5950 0.7054 0.6698 0.062 Uiso 1 1 calc R . .
C7 C 0.5265(7) 0.7761(5) 0.6901(5) 0.048(3) Uani 1 1 d U . .
H7 H 0.5273 0.7601 0.7275 0.057 Uiso 1 1 calc R . .
C8 C 0.6147(6) 0.7352(4) 0.5629(4) 0.038(2) Uani 1 1 d U . .
C9 C 0.6598(7) 0.7633(5) 0.5131(5) 0.049(3) Uani 1 1 d U . .
H9 H 0.6672 0.8035 0.5040 0.058 Uiso 1 1 calc R . .
C10 C 0.6947(7) 0.7354(4) 0.4761(4) 0.043(2) Uani 1 1 d U . .
H10 H 0.7271 0.7560 0.4426 0.051 Uiso 1 1 calc R . .
C11 C 0.6821(7) 0.6754(4) 0.4881(4) 0.039(2) Uani 1 1 d U . .
C12 C 0.6364(7) 0.6469(4) 0.5382(4) 0.039(2) Uani 1 1 d U . .
H12 H 0.6285 0.6067 0.5476 0.047 Uiso 1 1 calc R . .
C13 C 0.6013(7) 0.6768(4) 0.5758(4) 0.038(2) Uani 1 1 d U . .
H13 H 0.5688 0.6569 0.6097 0.046 Uiso 1 1 calc R . .
C14 C 0.5984(9) 0.7712(6) 0.1534(5) 0.065(3) Uani 1 1 d U . .
H14 H 0.6240 0.7606 0.1224 0.078 Uiso 1 1 calc R . .
C15 C 0.6353(10) 0.7467(5) 0.1977(5) 0.065(3) Uani 1 1 d U . .
H15 H 0.6858 0.7212 0.1973 0.077 Uiso 1 1 calc R . .
C16 C 0.5938(9) 0.7612(5) 0.2460(5) 0.056(3) Uani 1 1 d U . .
C17 C 0.5231(10) 0.8017(5) 0.2422(6) 0.070(3) Uani 1 1 d U . .
H17 H 0.4956 0.8136 0.2722 0.084 Uiso 1 1 calc R . .
C18 C 0.4933(11) 0.8243(5) 0.1941(6) 0.073(4) Uani 1 1 d U . .
H18 H 0.4451 0.8519 0.1923 0.087 Uiso 1 1 calc R . .
C19 C 0.6255(9) 0.7325(5) 0.2971(4) 0.051(3) Uani 1 1 d U . .
C20 C 0.7156(9) 0.7207(5) 0.2960(5) 0.060(3) Uani 1 1 d U . .
H20 H 0.7548 0.7322 0.2630 0.072 Uiso 1 1 calc R . .
C21 C 0.7458(9) 0.6911(5) 0.3454(5) 0.059(3) Uani 1 1 d U . .
H21 H 0.8054 0.6814 0.3448 0.071 Uiso 1 1 calc R . .
C22 C 0.6896(8) 0.6764(5) 0.3942(4) 0.050(3) Uani 1 1 d U . .
C23 C 0.6000(8) 0.6919(4) 0.3945(4) 0.046(3) Uani 1 1 d U . .
H23 H 0.5612 0.6833 0.4278 0.056 Uiso 1 1 calc R . .
C24 C 0.5681(8) 0.7195(5) 0.3464(4) 0.050(3) Uani 1 1 d U . .
H24 H 0.5084 0.7293 0.3474 0.061 Uiso 1 1 calc R . .
C25 C 0.9608(7) 0.3696(4) 0.3024(4) 0.039(2) Uani 1 1 d U . .
H25 H 1.0003 0.3370 0.3137 0.047 Uiso 1 1 calc R . .
C26 C 0.9365(7) 0.4042(5) 0.3329(4) 0.045(2) Uani 1 1 d U . .
H26 H 0.9557 0.3946 0.3660 0.054 Uiso 1 1 calc R . .
C27 C 0.8821(6) 0.4550(5) 0.3158(4) 0.037(2) Uani 1 1 d U . .
C28 C 0.8532(7) 0.4641(5) 0.2689(4) 0.043(2) Uani 1 1 d U . .
H28 H 0.8150 0.4972 0.2568 0.052 Uiso 1 1 calc R . .
C29 C 0.8778(6) 0.4265(4) 0.2386(4) 0.035(2) Uani 1 1 d U . .
H29 H 0.8573 0.4341 0.2062 0.042 Uiso 1 1 calc R . .
C30 C 0.8509(7) 0.4939(4) 0.3501(4) 0.039(2) Uani 1 1 d U . .
C31 C 0.9092(7) 0.5052(4) 0.3775(4) 0.038(2) Uani 1 1 d U . .
H31 H 0.9667 0.4888 0.3739 0.046 Uiso 1 1 calc R . .
C32 C 0.8814(7) 0.5400(4) 0.4090(4) 0.039(2) Uani 1 1 d U . .
H32 H 0.9211 0.5485 0.4263 0.047 Uiso 1 1 calc R . .
C33 C 0.7964(7) 0.5636(4) 0.4167(4) 0.041(2) Uani 1 1 d U . .
C34 C 0.7408(6) 0.5513(4) 0.3897(4) 0.038(2) Uani 1 1 d U . .
H34 H 0.6824 0.5658 0.3945 0.045 Uiso 1 1 calc R . .
C35 C 0.7689(6) 0.5182(4) 0.3558(4) 0.039(2) Uani 1 1 d U . .
H35 H 0.7304 0.5123 0.3361 0.047 Uiso 1 1 calc R . .
C36 C 0.8650(7) 0.4548(4) 0.7558(4) 0.041(2) Uani 1 1 d U . .
H36 H 0.8482 0.4694 0.7852 0.050 Uiso 1 1 calc R . .
C37 C 0.8499(6) 0.4912(5) 0.7049(4) 0.038(2) Uani 1 1 d U . .
H37 H 0.8268 0.5303 0.6995 0.045 Uiso 1 1 calc R . .
C38 C 0.8698(6) 0.4683(5) 0.6624(4) 0.038(2) Uani 1 1 d U . .
C39 C 0.9091(6) 0.4128(4) 0.6713(4) 0.040(2) Uani 1 1 d U . .
H39 H 0.9246 0.3966 0.6429 0.048 Uiso 1 1 calc R . .
C40 C 0.9259(7) 0.3803(5) 0.7226(4) 0.043(2) Uani 1 1 d U . .
H40 H 0.9551 0.3428 0.7276 0.051 Uiso 1 1 calc R . .
C41 C 0.8462(6) 0.5030(5) 0.6090(4) 0.041(2) Uani 1 1 d U . .
C42 C 0.8512(6) 0.5629(4) 0.5862(4) 0.037(2) Uani 1 1 d U . .
H42 H 0.8714 0.5831 0.6051 0.045 Uiso 1 1 calc R . .
C43 C 0.8281(7) 0.5943(5) 0.5371(4) 0.044(2) Uani 1 1 d U . .
H43 H 0.8333 0.6351 0.5228 0.053 Uiso 1 1 calc R . .
C44 C 0.7971(7) 0.5659(5) 0.5086(4) 0.039(2) Uani 1 1 d U . .
C45 C 0.7917(6) 0.5055(4) 0.5307(4) 0.037(2) Uani 1 1 d U . .
H45 H 0.7710 0.4855 0.5118 0.044 Uiso 1 1 calc R . .
C46 C 0.8164(6) 0.4743(5) 0.5801(4) 0.040(2) Uani 1 1 d U . .
H46 H 0.8130 0.4333 0.5941 0.048 Uiso 1 1 calc R . .
C47 C 0.2934(7) 0.9016(6) 0.6451(5) 0.054(3) Uani 1 1 d U . .
C48 C 0.2177(8) 0.8811(6) 0.6315(5) 0.062(3) Uani 1 1 d U . .
C49 C 0.1795(9) 0.9001(7) 0.5876(5) 0.070(4) Uani 1 1 d U . .
C50 C 0.1122(9) 0.8637(7) 0.5967(5) 0.067(3) Uani 1 1 d U . .
C51 C 0.1146(7) 0.8235(5) 0.6466(4) 0.043(2) Uani 1 1 d U . .
C52 C 0.0608(6) 0.7749(4) 0.6808(4) 0.034(2) Uani 1 1 d U . .
C53 C 0.277(2) 0.9279(19) 0.5101(17) 0.63(9) Uani 1 1 d D . .
H53A H 0.3280 0.9266 0.5252 0.946 Uiso 1 1 calc R . .
H53B H 0.2840 0.9551 0.4733 0.946 Uiso 1 1 calc R . .
H53C H 0.2701 0.8890 0.5098 0.946 Uiso 1 1 calc R . .
C54 C 0.075(3) 0.839(3) 0.5356(17) 0.39(5) Uani 1 1 d . . .
H54A H 0.0641 0.7978 0.5555 0.592 Uiso 1 1 calc R . .
H54B H 0.1357 0.8415 0.5201 0.592 Uiso 1 1 calc R . .
H54C H 0.0411 0.8533 0.5067 0.592 Uiso 1 1 calc R . .
C55 C 0.3099(13) 0.8736(6) 0.1469(8) 0.092(5) Uani 1 1 d U . .
C56 C 0.2213(12) 0.8603(5) 0.1730(7) 0.080(4) Uani 1 1 d U . .
C57 C 0.1575(12) 0.8859(6) 0.2010(7) 0.081(4) Uani 1 1 d U . .
C58 C 0.0892(12) 0.8527(6) 0.2166(6) 0.080(4) Uani 1 1 d U . .
C59 C 0.1129(10) 0.8052(5) 0.1962(5) 0.059(3) Uani 1 1 d U . .
C60 C 0.0686(9) 0.7562(5) 0.1979(5) 0.054(3) Uani 1 1 d U . .
C61 C 0.085(3) 0.9623(19) 0.232(3) 0.38(5) Uani 1 1 d . . .
H61A H 0.0643 0.9931 0.2022 0.574 Uiso 1 1 calc R . .
H61B H 0.0932 0.9792 0.2587 0.574 Uiso 1 1 calc R . .
H61C H 0.0431 0.9330 0.2488 0.574 Uiso 1 1 calc R . .
C62 C -0.009(3) 0.8210(12) 0.3024(11) 0.79(13) Uani 1 1 d D . .
H62A H -0.0305 0.7852 0.3035 1.181 Uiso 1 1 calc R . .
H62B H -0.0507 0.8403 0.3245 1.181 Uiso 1 1 calc R . .
H62C H 0.0451 0.8115 0.3162 1.181 Uiso 1 1 calc R . .
C63 C 0.8236(8) 0.3680(5) 0.1531(4) 0.046(3) Uani 1 1 d U . .
C64 C 0.7460(8) 0.3513(6) 0.1421(5) 0.054(3) Uani 1 1 d U . .
C65 C 0.6998(9) 0.3752(6) 0.1015(5) 0.060(3) Uani 1 1 d U . .
C66 C 0.6369(9) 0.3380(6) 0.1120(5) 0.062(3) Uani 1 1 d U . .
C67 C 0.6468(8) 0.2942(6) 0.1579(4) 0.054(3) Uani 1 1 d U . .
C68 C 0.5987(8) 0.2392(7) 0.1893(5) 0.065(4) Uani 1 1 d U . .
C69 C 0.629(3) 0.4688(10) 0.0685(11) 0.25(2) Uani 1 1 d . . .
H69A H 0.5875 0.4483 0.0998 0.374 Uiso 1 1 calc R . .
H69B H 0.6015 0.4823 0.0367 0.374 Uiso 1 1 calc R . .
H69C H 0.6461 0.5023 0.0747 0.374 Uiso 1 1 calc R . .
C70 C 0.5872(14) 0.3116(9) 0.0490(8) 0.125(8) Uani 1 1 d . . .
H70A H 0.6387 0.2853 0.0552 0.188 Uiso 1 1 calc R . .
H70B H 0.5958 0.3376 0.0118 0.188 Uiso 1 1 calc R . .
H70C H 0.5382 0.2888 0.0557 0.188 Uiso 1 1 calc R . .
C71 C 0.7428(7) 0.4002(5) 0.8734(4) 0.044(3) Uani 1 1 d U . .
C72 C 0.6502(7) 0.3902(5) 0.8902(4) 0.041(2) Uani 1 1 d U . .
C73 C 0.5776(8) 0.4230(6) 0.9039(5) 0.056(3) Uani 1 1 d U . .
C74 C 0.5070(9) 0.3866(7) 0.9168(5) 0.068(4) Uani 1 1 d U . .
C75 C 0.5396(8) 0.3341(7) 0.9125(4) 0.058(3) Uani 1 1 d U . .
C76 C 0.5009(10) 0.2792(8) 0.9206(5) 0.070(4) Uani 1 1 d U . .
C77 C 0.6090(18) 0.4887(8) 0.9406(8) 0.137(10) Uani 1 1 d . . .
H77A H 0.6679 0.4711 0.9386 0.206 Uiso 1 1 calc R . .
H77B H 0.5758 0.4703 0.9762 0.206 Uiso 1 1 calc R . .
H77C H 0.6092 0.5305 0.9345 0.206 Uiso 1 1 calc R . .
C78 C 0.3869(10) 0.3820(8) 0.9879(7) 0.096(5) Uani 1 1 d . . .
H78A H 0.4191 0.3956 1.0078 0.144 Uiso 1 1 calc R . .
H78B H 0.3914 0.3393 1.0000 0.144 Uiso 1 1 calc R . .
H78C H 0.3266 0.3963 0.9943 0.144 Uiso 1 1 calc R . .
C79 C 0.5190(6) 0.9335(5) 0.6984(6) 0.106(5) Uani 1 1 d GU . .
C80 C 0.4463(7) 0.9668(4) 0.6818(4) 0.086(4) Uani 1 1 d GU . .
H80 H 0.4487 0.9907 0.6455 0.103 Uiso 1 1 calc R . .
C81 C 0.3699(6) 0.9650(4) 0.7183(4) 0.089(4) Uani 1 1 d GU . .
H81 H 0.3202 0.9877 0.7069 0.106 Uiso 1 1 calc R . .
C82 C 0.3663(8) 0.9299(5) 0.7715(4) 0.108(5) Uani 1 1 d GDU . .
C83 C 0.4390(10) 0.8967(5) 0.7881(4) 0.115(5) Uani 1 1 d GU . .
H83 H 0.4366 0.8727 0.8244 0.138 Uiso 1 1 calc R . .
C84 C 0.5154(8) 0.8984(5) 0.7516(6) 0.120(5) Uani 1 1 d GU . .
H84 H 0.5651 0.8757 0.7629 0.143 Uiso 1 1 calc R . .
C85 C 0.6011(14) 0.9267(11) 0.6683(13) 0.164(10) Uani 1 1 d U . .
H85A H 0.6040 0.8934 0.6556 0.245 Uiso 1 1 calc R . .
H85B H 0.6442 0.9199 0.6910 0.245 Uiso 1 1 calc R . .
H85C H 0.6121 0.9620 0.6375 0.245 Uiso 1 1 calc R . .
C86 C 0.3078(16) 0.9241(11) 0.8231(9) 0.157(7) Uani 1 1 d DU . .
H86 H 0.3208 0.8870 0.8516 0.188 Uiso 1 1 calc R . .
C87 C 0.3103(18) 0.9773(12) 0.8393(12) 0.174(11) Uani 1 1 d DU . .
H87A H 0.2697 1.0083 0.8225 0.261 Uiso 1 1 calc R . .
H87B H 0.3682 0.9907 0.8275 0.261 Uiso 1 1 calc R . .
H87C H 0.2947 0.9671 0.8784 0.261 Uiso 1 1 calc R . .
C88 C 0.2310(16) 0.9235(12) 0.8050(10) 0.143(9) Uani 1 1 d DU . .
H88A H 0.1900 0.9550 0.8119 0.215 Uiso 1 1 calc R . .
H88B H 0.2064 0.8860 0.8243 0.215 Uiso 1 1 calc R . .
H88C H 0.2439 0.9291 0.7665 0.215 Uiso 1 1 calc R . .
C89 C 0.4454(12) 0.8862(7) -0.0006(5) 0.157(9) Uani 1 1 d GU . .
C90 C 0.4270(8) 0.9269(6) 0.0265(6) 0.146(8) Uani 1 1 d GU . .
H90 H 0.3720 0.9472 0.0290 0.176 Uiso 1 1 calc R . .
C91 C 0.4892(11) 0.9379(6) 0.0498(6) 0.150(8) Uani 1 1 d GU . .
H91 H 0.4766 0.9658 0.0683 0.180 Uiso 1 1 calc R . .
C92 C 0.5697(9) 0.9082(7) 0.0461(6) 0.156(8) Uani 1 1 d GDU . .
C93 C 0.5881(9) 0.8675(7) 0.0191(7) 0.188(10) Uani 1 1 d GU . .
H93 H 0.6432 0.8472 0.0165 0.226 Uiso 1 1 calc R . .
C94 C 0.5260(15) 0.8565(7) -0.0043(5) 0.189(10) Uani 1 1 d GU . .
H94 H 0.5385 0.8287 -0.0228 0.227 Uiso 1 1 calc R . .
C95 C 0.364(3) 0.8719(14) -0.0253(11) 0.25(2) Uani 1 1 d . . .
H95A H 0.3827 0.8388 -0.0388 0.378 Uiso 1 1 calc R . .
H95B H 0.3491 0.9062 -0.0546 0.378 Uiso 1 1 calc R . .
H95C H 0.3138 0.8624 0.0034 0.378 Uiso 1 1 calc R . .
C96 C 0.6552(13) 0.9078(11) 0.0587(10) 0.180(9) Uani 1 1 d DU . .
H96 H 0.6811 0.8680 0.0762 0.216 Uiso 1 1 calc R . .
C97 C 0.6215(15) 0.9421(10) 0.0962(10) 0.129(8) Uani 1 1 d DU . .
H97A H 0.6677 0.9626 0.0987 0.194 Uiso 1 1 calc R . .
H97B H 0.5993 0.9157 0.1318 0.194 Uiso 1 1 calc R . .
H97C H 0.5753 0.9704 0.0827 0.194 Uiso 1 1 calc R . .
C98 C 0.720(2) 0.9481(19) 0.0134(15) 0.272(18) Uani 1 1 d DU . .
H98A H 0.7770 0.9388 0.0224 0.407 Uiso 1 1 calc R . .
H98B H 0.7014 0.9890 0.0101 0.407 Uiso 1 1 calc R . .
H98C H 0.7207 0.9419 -0.0208 0.407 Uiso 1 1 calc R . .
C99 C 1.0842(10) 0.3716(7) 0.1675(9) 0.100(5) Uani 1 1 d U . .
C100 C 1.0431(12) 0.3632(10) 0.1314(7) 0.113(6) Uani 1 1 d U . .
H100 H 1.0224 0.3957 0.1045 0.135 Uiso 1 1 calc R . .
C101 C 1.0320(11) 0.3068(11) 0.1344(7) 0.104(5) Uani 1 1 d U . .
H101 H 1.0092 0.3018 0.1067 0.125 Uiso 1 1 calc R . .
C102 C 1.0522(10) 0.2575(8) 0.1756(7) 0.092(4) Uani 1 1 d U . .
C103 C 1.0948(7) 0.2686(5) 0.2140(5) 0.055(3) Uani 1 1 d U . .
H103 H 1.1102 0.2370 0.2435 0.066 Uiso 1 1 calc R . .
C104 C 1.1127(8) 0.3250(5) 0.2075(6) 0.060(3) Uani 1 1 d U . .
H104 H 1.1446 0.3312 0.2307 0.072 Uiso 1 1 calc R . .
C105 C 1.0919(12) 0.4335(8) 0.1761(12) 0.149(10) Uani 1 1 d U . .
H10A H 1.1506 0.4452 0.1619 0.223 Uiso 1 1 calc R . .
H10B H 1.0776 0.4291 0.2144 0.223 Uiso 1 1 calc R . .
H10C H 1.0522 0.4635 0.1570 0.223 Uiso 1 1 calc R . .
C106 C 1.0358(15) 0.1937(11) 0.1869(12) 0.139(6) Uani 1 1 d U . .
H106 H 1.0386 0.1762 0.2260 0.166 Uiso 1 1 calc R . .
C107 C 0.937(2) 0.1803(15) 0.1853(17) 0.210(12) Uani 1 1 d U . .
H10D H 0.8976 0.1862 0.2165 0.315 Uiso 1 1 calc R . .
H10E H 0.9377 0.1400 0.1861 0.315 Uiso 1 1 calc R . .
H10F H 0.9195 0.2069 0.1523 0.315 Uiso 1 1 calc R . .
C108 C 1.120(2) 0.1647(11) 0.1599(13) 0.181(11) Uani 1 1 d U . .
H10G H 1.1333 0.1865 0.1215 0.272 Uiso 1 1 calc R . .
H10H H 1.1117 0.1243 0.1646 0.272 Uiso 1 1 calc R . .
H10I H 1.1681 0.1653 0.1769 0.272 Uiso 1 1 calc R . .
C109 C 1.0604(8) 0.3594(6) 0.8237(6) 0.067(3) Uani 1 1 d U . .
C110 C 1.0424(8) 0.3024(6) 0.8606(5) 0.065(3) Uani 1 1 d U . .
H110 H 1.0698 0.2692 0.8514 0.078 Uiso 1 1 calc R . .
C111 C 0.9889(9) 0.2944(7) 0.9072(6) 0.072(4) Uani 1 1 d U . .
H111 H 0.9808 0.2560 0.9310 0.087 Uiso 1 1 calc R . .
C112 C 0.9423(9) 0.3435(7) 0.9222(5) 0.068(3) Uani 1 1 d U . .
C113 C 0.9585(10) 0.3971(7) 0.8870(7) 0.074(4) Uani 1 1 d U . .
H113 H 0.9296 0.4299 0.8962 0.088 Uiso 1 1 calc R . .
C114 C 1.0140(8) 0.4070(6) 0.8388(6) 0.062(3) Uani 1 1 d U . .
H114 H 1.0213 0.4457 0.8154 0.075 Uiso 1 1 calc R . .
C115 C 1.1187(7) 0.3671(8) 0.7698(7) 0.086(5) Uani 1 1 d U . .
H11A H 1.1001 0.4032 0.7435 0.129 Uiso 1 1 calc R . .
H11B H 1.1161 0.3340 0.7578 0.129 Uiso 1 1 calc R . .
H11C H 1.1777 0.3692 0.7731 0.129 Uiso 1 1 calc R . .
C116 C 0.8793(11) 0.3364(10) 0.9746(6) 0.096(5) Uani 1 1 d U . .
H116 H 0.8326 0.3683 0.9684 0.116 Uiso 1 1 calc R . .
C117 C 0.8420(19) 0.2824(15) 0.9955(9) 0.191(14) Uani 1 1 d U . .
H11D H 0.8058 0.2803 0.9713 0.286 Uiso 1 1 calc R . .
H11E H 0.8069 0.2789 1.0310 0.286 Uiso 1 1 calc R . .
H11F H 0.8872 0.2506 0.9987 0.286 Uiso 1 1 calc R . .
C118 C 0.9276(15) 0.3433(15) 1.0146(9) 0.160(9) Uani 1 1 d U . .
H11G H 0.8899 0.3364 1.0497 0.241 Uiso 1 1 calc R . .
H11H H 0.9463 0.3829 1.0020 0.241 Uiso 1 1 calc R . .
H11I H 0.9778 0.3152 1.0178 0.241 Uiso 1 1 calc R . .
C119 C 0.3514(10) 0.4379(7) 0.8261(7) 0.082(4) Uani 1 1 d . . .
H119 H 0.3646 0.4040 0.8576 0.098 Uiso 1 1 calc R . .
C120 C 0.5156(8) 0.4697(6) 0.6667(5) 0.059(3) Uani 1 1 d . . .
H120 H 0.5168 0.4551 0.7060 0.070 Uiso 1 1 calc R . .
C121 C 0.6276(9) 0.5696(6) 0.7865(6) 0.067(4) Uani 1 1 d U . .
H121 H 0.6298 0.5321 0.8167 0.080 Uiso 1 1 calc R . .
C122 C 0.2931(9) 0.6921(6) 0.6859(5) 0.063(3) Uani 1 1 d . . .
H122 H 0.2470 0.7077 0.7101 0.076 Uiso 1 1 calc R . .
C123 C 0.3439(11) 0.6833(7) 0.2262(5) 0.082(5) Uani 1 1 d . . .
H123 H 0.3317 0.7066 0.1897 0.098 Uiso 1 1 calc R . .
C124 C 0.3689(14) 1.0068(9) 0.1878(8) 0.110(6) Uani 1 1 d . . .
H124 H 0.3383 0.9806 0.1776 0.132 Uiso 1 1 calc R . .
C125 C 0.3569(13) 0.2670(9) 1.1518(8) 0.117(7) Uani 1 1 d U . .
H125 H 0.4171 0.2760 1.1483 0.141 Uiso 1 1 calc R . .
C126 C -0.138(3) 0.7533(12) 0.6087(19) 0.281(15) Uani 1 1 d U . .
H126 H -0.0981 0.7650 0.6266 0.337 Uiso 1 1 calc R . .
C127 C -0.1340(11) 0.8633(6) 0.1911(6) 0.107(6) Uani 1 1 d D . .
H127 H -0.0840 0.8361 0.2026 0.128 Uiso 1 1 calc R . .
C128 C 0.7724(15) 0.717(2) 0.0270(13) 0.289(16) Uani 1 1 d U . .
H128 H 0.7096 0.7256 0.0270 0.347 Uiso 1 1 calc R . .
C129 C 0.880(2) 0.4983(16) 0.0083(13) 0.093(10) Uani 0.50 1 d PU . .
H129 H 0.8595 0.4656 0.0411 0.111 Uiso 0.50 1 calc PR . .
C130 C 0.8798(19) 0.9102(9) 0.6462(12) 0.151(9) Uani 1 1 d U . .
H130 H 0.9168 0.8777 0.6362 0.182 Uiso 1 1 calc R . .
Cl1 Cl 0.3403(2) 0.41218(16) 0.77564(15) 0.0692(9) Uani 1 1 d . . .
Cl2 Cl 0.4437(4) 0.4832(2) 0.79948(19) 0.1055(15) Uani 1 1 d . . .
Cl3 Cl 0.2616(4) 0.4777(4) 0.8470(2) 0.171(4) Uani 1 1 d . . .
Cl4 Cl 0.6199(2) 0.48154(16) 0.63202(14) 0.0687(9) Uani 1 1 d . . .
Cl5 Cl 0.4748(2) 0.41515(14) 0.65014(13) 0.0655(8) Uani 1 1 d . . .
Cl6 Cl 0.4478(2) 0.53405(14) 0.65301(15) 0.0677(9) Uani 1 1 d . . .
Cl7 Cl 0.7216(4) 0.6016(3) 0.7699(4) 0.183(4) Uani 1 1 d U . .
Cl8 Cl 0.5409(3) 0.61579(18) 0.80226(18) 0.0860(11) Uani 1 1 d . . .
Cl9 Cl 0.6218(3) 0.5565(4) 0.7261(3) 0.149(3) Uani 1 1 d . . .
Cl10 Cl 0.2456(3) 0.6668(2) 0.64554(18) 0.1004(15) Uani 1 1 d . . .
Cl11 Cl 0.3544(3) 0.7492(2) 0.6421(3) 0.1128(18) Uani 1 1 d . . .
Cl12 Cl 0.3559(4) 0.6377(3) 0.72460(19) 0.155(3) Uani 1 1 d . . .
Cl13 Cl 0.4535(2) 0.67246(15) 0.22175(14) 0.0700(9) Uani 1 1 d . . .
Cl14 Cl 0.3017(3) 0.6138(3) 0.24521(17) 0.1120(18) Uani 1 1 d . . .
Cl15 Cl 0.2955(6) 0.7215(4) 0.2704(2) 0.189(4) Uani 1 1 d . . .
Cl16 Cl 0.2927(4) 1.0496(3) 0.2208(3) 0.129(2) Uani 1 1 d . . .
Cl17 Cl 0.4268(5) 1.0532(2) 0.1302(3) 0.136(2) Uani 1 1 d . . .
Cl18 Cl 0.4418(6) 0.9647(3) 0.2288(4) 0.177(4) Uani 1 1 d . . .
Cl19 Cl 0.3038(3) 0.3338(2) 1.11728(15) 0.0990(15) Uani 1 1 d . . .
Cl20 Cl 0.3167(3) 0.2455(2) 1.2190(2) 0.1026(15) Uani 1 1 d . . .
Cl21 Cl 0.3646(4) 0.2163(4) 1.1212(4) 0.196(4) Uani 1 1 d U . .
Cl22 Cl -0.1866(4) 0.6932(3) 0.6533(4) 0.154(3) Uani 1 1 d . . .
Cl23 Cl -0.0713(6) 0.7112(3) 0.5627(3) 0.172(3) Uani 1 1 d . . .
Cl24 Cl -0.1893(8) 0.8094(3) 0.5777(7) 0.329(10) Uani 1 1 d U . .
Cl25 Cl -0.1854(4) 0.8349(3) 0.1530(4) 0.189(4) Uani 1 1 d D . .
Cl26 Cl -0.0969(5) 0.9327(3) 0.1492(4) 0.197(4) Uani 1 1 d D . .
Cl27 Cl -0.2093(5) 0.8675(4) 0.2488(5) 0.224(5) Uani 1 1 d D . .
Cl28 Cl 0.7814(4) 0.6735(4) 0.0928(3) 0.157(3) Uani 1 1 d . . .
Cl29 Cl 0.8077(6) 0.7774(9) 0.0419(6) 0.298(9) Uani 1 1 d . . .
Cl30 Cl 0.8092(7) 0.7170(9) -0.0238(5) 0.326(10) Uani 1 1 d U . .
Cl31 Cl 0.8169(5) 0.5033(4) -0.0426(3) 0.089(2) Uani 0.50 1 d P . .
Cl32 Cl 0.8589(6) 0.5602(5) 0.0248(4) 0.109(3) Uani 0.50 1 d PU . .
Cl33 Cl 0.9857(5) 0.4797(4) -0.0140(3) 0.094(3) Uani 0.50 1 d P . .
Cl34 Cl 0.8096(5) 0.8754(4) 0.6899(3) 0.170(3) Uani 1 1 d U . .
Cl35 Cl 0.8507(6) 0.9517(4) 0.5834(4) 0.192(4) Uani 1 1 d . . .
Cl36 Cl 0.9560(6) 0.9392(6) 0.6705(6) 0.275(8) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0520(6) 0.0762(7) 0.0603(7) -0.0494(6) -0.0262(5) 0.0190(5)
Ru2 0.1123(11) 0.0819(9) 0.0606(8) 0.0411(7) -0.0431(7) -0.0538(8)
Ru3 0.0497(6) 0.0451(5) 0.0301(5) -0.0148(4) -0.0132(4) 0.0162(4)
Ru4 0.0459(5) 0.0457(5) 0.0394(5) -0.0193(4) -0.0180(4) 0.0068(4)
O1 0.046(4) 0.077(5) 0.032(4) -0.016(4) -0.018(3) 0.006(4)
O2 0.064(6) 0.110(8) 0.036(5) -0.007(5) -0.003(4) -0.033(6)
O3 0.036(4) 0.056(5) 0.025(4) -0.002(3) -0.007(3) -0.002(3)
O4 0.051(4) 0.034(4) 0.039(4) -0.013(3) -0.020(3) 0.009(3)
O5 0.054(5) 0.059(5) 0.039(4) -0.009(4) -0.027(4) 0.002(4)
O6 0.096(8) 0.148(12) 0.078(8) 0.021(8) -0.049(7) -0.033(8)
O7 0.092(8) 0.158(11) 0.043(6) -0.005(6) -0.040(6) -0.023(7)
O8 0.098(7) 0.040(5) 0.074(6) 0.007(4) -0.029(5) -0.014(5)
O9 0.182(14) 0.042(6) 0.179(14) -0.009(7) -0.094(11) -0.029(7)
O10 0.085(7) 0.032(4) 0.054(5) -0.008(4) -0.031(5) 0.003(4)
O11 0.061(5) 0.038(4) 0.056(5) -0.021(4) -0.021(4) 0.015(4)
O12 0.077(7) 0.059(5) 0.065(6) -0.025(4) -0.017(5) 0.009(5)
O13 0.172(14) 0.041(6) 0.217(17) -0.061(8) -0.060(12) 0.009(7)
O14 0.149(11) 0.031(5) 0.095(8) -0.027(5) -0.010(7) 0.034(6)
O15 0.061(5) 0.051(4) 0.039(4) -0.018(4) -0.025(4) 0.018(4)
O16 0.104(7) 0.060(6) 0.043(5) -0.018(5) -0.036(5) 0.018(5)
O17 0.051(4) 0.075(6) 0.037(4) -0.033(4) -0.029(4) 0.031(4)
O18 0.048(4) 0.095(6) 0.039(4) -0.039(4) -0.022(4) 0.021(4)
O19 0.069(6) 0.100(7) 0.075(6) -0.044(6) -0.051(5) 0.026(5)
O20 0.101(8) 0.069(6) 0.091(7) 0.004(6) -0.073(7) 0.017(6)
O21 0.117(8) 0.116(8) 0.103(8) -0.065(7) -0.097(7) 0.063(7)
O22 0.044(4) 0.050(4) 0.036(4) -0.018(3) -0.005(3) -0.002(4)
O23 0.070(5) 0.064(6) 0.067(6) -0.044(5) -0.017(4) 0.000(4)
O24 0.041(4) 0.062(5) 0.029(4) -0.017(3) -0.003(3) -0.008(4)
O25 0.081(6) 0.076(6) 0.039(5) -0.012(4) -0.016(4) -0.009(5)
O26 0.088(8) 0.180(13) 0.058(6) -0.058(7) 0.007(6) -0.057(8)
O27 0.100(7) 0.057(5) 0.055(5) -0.024(4) -0.018(5) 0.043(5)
O28 0.045(5) 0.117(8) 0.038(5) 0.000(5) -0.009(4) 0.025(5)
N1 0.047(5) 0.055(6) 0.043(5) -0.028(4) -0.015(4) -0.002(5)
N2 0.132(11) 0.048(6) 0.050(7) 0.014(5) -0.049(7) -0.043(7)
N3 0.050(5) 0.043(5) 0.038(5) -0.019(4) -0.020(4) 0.013(4)
N4 0.040(5) 0.043(5) 0.041(5) -0.020(4) -0.020(4) 0.007(4)
C1 0.046(5) 0.045(5) 0.032(5) -0.015(4) -0.002(4) -0.001(5)
C2 0.057(6) 0.046(5) 0.028(5) -0.014(4) -0.005(4) 0.004(5)
C3 0.042(6) 0.043(6) 0.054(7) -0.018(5) 0.003(5) -0.014(5)
C4 0.046(6) 0.049(6) 0.045(6) -0.019(5) -0.008(5) -0.008(5)
C5 0.038(5) 0.051(6) 0.056(6) -0.028(5) -0.008(5) -0.008(5)
C6 0.048(6) 0.068(7) 0.051(6) -0.038(5) -0.022(5) 0.025(5)
C7 0.048(6) 0.061(7) 0.052(6) -0.046(6) -0.019(5) 0.021(5)
C8 0.035(5) 0.043(5) 0.037(5) -0.019(4) -0.001(4) 0.001(4)
C9 0.052(6) 0.033(5) 0.053(6) -0.013(5) 0.004(5) 0.000(5)
C10 0.047(6) 0.032(5) 0.040(5) -0.008(4) 0.004(5) -0.005(5)
C11 0.046(5) 0.043(5) 0.028(5) -0.013(4) -0.009(4) 0.002(4)
C12 0.048(6) 0.030(5) 0.034(5) -0.003(4) -0.013(4) 0.002(4)
C13 0.043(5) 0.038(5) 0.031(5) -0.010(4) -0.002(4) -0.003(4)
C14 0.078(8) 0.063(8) 0.038(7) 0.009(6) -0.010(6) -0.021(7)
C15 0.097(9) 0.040(6) 0.043(6) 0.002(5) -0.005(6) -0.011(6)
C16 0.087(7) 0.040(5) 0.046(6) -0.018(5) -0.023(5) 0.005(5)
C17 0.109(9) 0.046(6) 0.056(7) -0.014(5) -0.032(7) 0.013(6)
C18 0.114(10) 0.030(6) 0.078(9) 0.005(6) -0.060(8) -0.006(6)
C19 0.083(7) 0.038(5) 0.036(5) -0.012(4) -0.021(5) 0.002(5)
C20 0.091(8) 0.051(6) 0.031(6) -0.011(5) -0.004(6) 0.003(6)
C21 0.070(7) 0.057(6) 0.042(6) -0.014(5) -0.001(6) 0.003(6)
C22 0.069(6) 0.039(5) 0.037(5) -0.011(4) -0.013(5) 0.013(5)
C23 0.060(6) 0.035(5) 0.043(6) -0.019(4) -0.004(5) 0.010(5)
C24 0.063(7) 0.037(5) 0.044(6) -0.008(5) -0.013(5) 0.010(5)
C25 0.050(6) 0.028(5) 0.043(6) -0.010(4) -0.026(5) 0.011(4)
C26 0.047(6) 0.053(6) 0.034(5) -0.009(5) -0.021(5) 0.008(5)
C27 0.034(5) 0.054(5) 0.032(5) -0.022(4) -0.013(4) 0.005(4)
C28 0.038(5) 0.043(5) 0.047(6) -0.011(5) -0.017(5) 0.009(5)
C29 0.043(5) 0.046(6) 0.022(5) -0.018(4) -0.015(4) 0.011(5)
C30 0.043(5) 0.040(5) 0.032(5) -0.011(4) -0.012(4) 0.005(4)
C31 0.047(6) 0.036(5) 0.031(5) -0.012(4) -0.008(4) 0.004(4)
C32 0.046(6) 0.035(5) 0.039(5) -0.011(4) -0.018(5) 0.002(4)
C33 0.056(6) 0.037(5) 0.024(5) -0.005(4) -0.008(4) 0.003(5)
C34 0.036(5) 0.045(5) 0.030(5) -0.011(4) -0.013(4) 0.009(4)
C35 0.041(5) 0.045(5) 0.029(5) -0.007(4) -0.015(4) 0.007(5)
C36 0.049(6) 0.039(6) 0.046(6) -0.027(5) -0.010(5) 0.000(5)
C37 0.042(5) 0.042(5) 0.033(5) -0.019(4) -0.008(4) 0.004(4)
C38 0.034(5) 0.045(5) 0.041(5) -0.018(4) -0.007(4) -0.005(4)
C39 0.041(5) 0.044(5) 0.040(5) -0.025(4) -0.003(4) 0.004(5)
C40 0.038(6) 0.044(6) 0.050(6) -0.021(5) -0.010(5) 0.003(5)
C41 0.033(5) 0.047(5) 0.041(5) -0.015(4) -0.007(4) 0.005(4)
C42 0.040(5) 0.035(5) 0.041(5) -0.020(4) -0.010(4) 0.003(4)
C43 0.054(6) 0.034(5) 0.043(6) -0.013(4) -0.009(5) 0.005(5)
C44 0.044(5) 0.045(5) 0.032(5) -0.022(4) -0.003(4) 0.007(4)
C45 0.041(5) 0.039(5) 0.039(5) -0.021(4) -0.014(4) 0.005(4)
C46 0.041(5) 0.046(5) 0.040(5) -0.022(5) -0.007(4) -0.002(5)
C47 0.036(6) 0.075(8) 0.042(7) -0.014(6) -0.003(5) 0.004(6)
C48 0.052(6) 0.092(8) 0.036(6) -0.015(6) -0.015(5) 0.006(6)
C49 0.070(7) 0.091(9) 0.035(6) 0.008(6) -0.024(6) -0.013(7)
C50 0.074(8) 0.094(8) 0.025(5) -0.001(6) -0.019(5) -0.015(7)
C51 0.048(6) 0.057(6) 0.022(5) -0.005(4) -0.010(4) -0.008(5)
C52 0.043(6) 0.040(5) 0.023(5) -0.012(4) -0.019(4) 0.008(4)
C53 1.11(19) 0.28(6) 0.92(17) -0.43(9) -0.92(17) 0.36(9)
C54 0.16(3) 0.90(16) 0.15(3) -0.15(6) -0.06(3) -0.11(6)
C55 0.134(13) 0.023(7) 0.126(12) -0.002(7) -0.062(10) -0.023(8)
C56 0.120(10) 0.029(6) 0.103(10) -0.016(6) -0.059(9) 0.002(7)
C57 0.125(11) 0.039(7) 0.086(9) -0.021(6) -0.039(8) 0.003(7)
C58 0.122(11) 0.045(7) 0.073(8) -0.015(6) -0.033(8) 0.007(7)
C59 0.085(9) 0.040(6) 0.059(7) -0.019(5) -0.030(6) 0.006(6)
C60 0.071(8) 0.043(6) 0.047(7) -0.015(5) -0.024(6) 0.016(6)
C61 0.21(4) 0.18(4) 0.73(13) -0.22(6) 0.10(6) -0.02(3)
C62 0.53(11) 0.10(3) 2.0(4) -0.39(9) -0.75(18) 0.18(5)
C63 0.069(7) 0.042(6) 0.031(6) -0.017(5) -0.023(5) 0.022(6)
C64 0.070(7) 0.060(7) 0.041(6) -0.027(5) -0.033(5) 0.031(6)
C65 0.076(7) 0.057(7) 0.065(7) -0.032(6) -0.054(6) 0.033(6)
C66 0.081(8) 0.062(7) 0.058(7) -0.039(6) -0.045(6) 0.049(6)
C67 0.064(7) 0.073(7) 0.039(6) -0.042(5) -0.028(5) 0.038(6)
C68 0.055(7) 0.098(9) 0.066(8) -0.061(7) -0.033(6) 0.040(7)
C69 0.43(6) 0.086(16) 0.12(2) 0.006(14) 0.02(3) 0.12(3)
C70 0.168(19) 0.142(17) 0.127(16) -0.088(14) -0.121(15) 0.053(14)
C71 0.053(6) 0.051(7) 0.029(5) -0.015(5) -0.010(5) -0.001(5)
C72 0.051(6) 0.048(6) 0.019(5) -0.009(4) -0.006(4) 0.008(5)
C73 0.059(7) 0.075(8) 0.034(6) -0.017(5) -0.018(5) 0.007(6)
C74 0.060(7) 0.089(9) 0.031(6) 0.006(6) -0.008(5) 0.008(7)
C75 0.056(7) 0.099(9) 0.026(5) -0.024(6) -0.010(5) -0.012(7)
C76 0.073(9) 0.113(11) 0.029(6) -0.017(7) -0.007(6) -0.042(9)
C77 0.27(3) 0.069(11) 0.078(12) -0.045(10) -0.015(15) 0.016(14)
C78 0.069(10) 0.091(12) 0.106(14) -0.019(10) -0.016(9) 0.035(9)
C79 0.076(9) 0.110(10) 0.176(12) -0.107(10) -0.015(10) -0.007(8)
C80 0.075(8) 0.105(9) 0.111(10) -0.077(8) -0.012(8) -0.017(8)
C81 0.107(10) 0.084(9) 0.087(9) -0.046(8) -0.023(8) 0.008(8)
C82 0.160(11) 0.107(9) 0.088(9) -0.075(8) -0.039(9) 0.031(9)
C83 0.179(13) 0.118(10) 0.100(10) -0.080(9) -0.089(9) 0.035(10)
C84 0.126(11) 0.115(11) 0.186(13) -0.109(10) -0.085(11) 0.014(10)
C85 0.112(15) 0.164(18) 0.27(3) -0.144(18) 0.009(16) -0.072(15)
C86 0.190(16) 0.149(14) 0.138(14) -0.080(12) -0.003(13) 0.012(14)
C87 0.16(2) 0.22(3) 0.15(2) -0.120(19) -0.004(17) 0.050(19)
C88 0.17(2) 0.163(19) 0.123(16) -0.111(15) 0.010(15) 0.009(17)
C89 0.176(15) 0.136(14) 0.101(12) 0.088(11) -0.067(12) -0.076(13)
C90 0.166(13) 0.100(12) 0.138(13) 0.077(10) -0.101(11) -0.077(11)
C91 0.175(14) 0.089(10) 0.149(13) 0.077(10) -0.092(12) -0.086(11)
C92 0.160(12) 0.123(12) 0.142(12) 0.089(10) -0.084(11) -0.118(10)
C93 0.182(15) 0.163(15) 0.128(14) 0.110(12) -0.048(12) -0.085(14)
C94 0.209(17) 0.169(15) 0.103(13) 0.088(12) -0.019(13) -0.081(15)
C95 0.43(6) 0.21(3) 0.14(2) 0.07(2) -0.20(3) -0.19(4)
C96 0.182(16) 0.143(15) 0.173(17) 0.059(13) -0.065(14) -0.099(13)
C97 0.142(17) 0.112(15) 0.127(17) 0.007(13) -0.078(15) -0.021(13)
C98 0.25(3) 0.24(3) 0.28(3) 0.02(3) -0.09(3) -0.08(3)
C99 0.059(8) 0.073(8) 0.120(11) -0.002(8) 0.023(8) 0.018(7)
C100 0.086(10) 0.124(11) 0.060(9) 0.014(9) 0.015(8) 0.053(10)
C101 0.086(9) 0.162(12) 0.061(8) -0.052(9) -0.023(7) 0.054(10)
C102 0.080(8) 0.115(9) 0.102(9) -0.080(8) -0.016(7) 0.040(7)
C103 0.048(6) 0.060(7) 0.055(7) -0.020(5) -0.022(5) 0.024(5)
C104 0.049(6) 0.056(7) 0.080(8) -0.030(6) -0.015(6) 0.010(5)
C105 0.082(12) 0.064(10) 0.25(2) -0.033(13) 0.050(14) -0.019(9)
C106 0.120(12) 0.143(12) 0.200(15) -0.127(11) -0.042(12) 0.033(11)
C107 0.18(2) 0.18(2) 0.32(3) -0.17(2) -0.04(2) 0.03(2)
C108 0.21(2) 0.128(17) 0.22(2) -0.109(18) -0.03(2) 0.070(17)
C109 0.048(6) 0.074(7) 0.088(8) -0.027(6) -0.035(6) 0.003(6)
C110 0.059(7) 0.084(8) 0.061(7) -0.030(6) -0.039(6) 0.023(6)
C111 0.076(8) 0.080(8) 0.057(7) -0.014(6) -0.035(6) 0.022(7)
C112 0.073(7) 0.088(8) 0.061(7) -0.040(6) -0.049(6) 0.030(6)
C113 0.081(8) 0.083(8) 0.093(9) -0.053(7) -0.059(7) 0.010(7)
C114 0.051(7) 0.060(7) 0.094(8) -0.025(6) -0.049(6) -0.004(6)
C115 0.023(6) 0.118(12) 0.098(11) -0.012(10) -0.007(7) -0.003(7)
C116 0.092(10) 0.158(13) 0.038(7) -0.047(8) -0.021(7) 0.049(9)
C117 0.17(2) 0.23(3) 0.065(13) 0.024(16) 0.041(14) 0.06(2)
C118 0.118(15) 0.30(3) 0.102(14) -0.124(17) -0.038(12) 0.052(17)
C119 0.084(10) 0.071(9) 0.091(11) -0.019(8) -0.039(9) 0.012(8)
C120 0.070(8) 0.065(8) 0.046(7) -0.022(6) -0.014(6) -0.009(7)
C121 0.088(9) 0.048(7) 0.066(8) -0.031(6) -0.008(7) 0.011(7)
C122 0.070(8) 0.067(8) 0.064(8) -0.040(7) -0.017(7) 0.012(7)
C123 0.121(13) 0.086(10) 0.024(6) -0.011(6) -0.016(7) 0.029(9)
C124 0.139(17) 0.113(14) 0.106(14) -0.063(12) -0.023(12) -0.026(13)
C125 0.114(13) 0.152(15) 0.139(15) -0.110(13) -0.087(12) 0.077(12)
C126 0.35(3) 0.126(18) 0.49(3) -0.07(2) -0.38(3) -0.010(19)
C127 0.115(14) 0.083(12) 0.113(15) -0.032(11) -0.021(12) 0.024(10)
C128 0.070(13) 0.65(4) 0.15(2) -0.09(3) -0.071(15) -0.06(2)
C129 0.09(2) 0.10(2) 0.064(17) -0.025(15) 0.027(15) 0.012(17)
C130 0.19(2) 0.064(11) 0.17(2) 0.001(13) -0.044(18) -0.007(14)
Cl1 0.0590(19) 0.072(2) 0.075(2) -0.0199(17) -0.0199(17) 0.0038(16)
Cl2 0.148(4) 0.087(3) 0.089(3) -0.018(2) -0.056(3) -0.006(3)
Cl3 0.158(5) 0.259(8) 0.092(4) -0.085(4) -0.071(4) 0.142(6)
Cl4 0.063(2) 0.075(2) 0.066(2) -0.0183(17) -0.0152(16) -0.0021(17)
Cl5 0.082(2) 0.0581(18) 0.062(2) -0.0192(15) -0.0264(17) -0.0036(16)
Cl6 0.068(2) 0.0582(18) 0.075(2) -0.0196(16) -0.0176(17) 0.0046(16)
Cl7 0.098(4) 0.202(7) 0.321(10) -0.212(7) 0.057(5) -0.062(4)
Cl8 0.081(2) 0.078(2) 0.096(3) -0.036(2) -0.014(2) 0.019(2)
Cl9 0.094(3) 0.235(7) 0.196(6) -0.173(6) -0.042(4) 0.022(4)
Cl10 0.108(3) 0.137(4) 0.084(3) -0.064(3) 0.007(2) -0.062(3)
Cl11 0.066(2) 0.080(3) 0.206(6) -0.065(3) -0.016(3) -0.012(2)
Cl12 0.189(6) 0.185(6) 0.076(3) -0.065(3) -0.053(3) 0.136(5)
Cl13 0.078(2) 0.067(2) 0.058(2) -0.0042(16) -0.0130(17) -0.0197(18)
Cl14 0.084(3) 0.192(5) 0.064(2) -0.022(3) -0.019(2) -0.063(3)
Cl15 0.251(8) 0.213(7) 0.080(3) -0.076(4) -0.058(4) 0.166(7)
Cl16 0.114(4) 0.162(5) 0.161(5) -0.114(5) -0.016(3) -0.024(4)
Cl17 0.179(6) 0.075(3) 0.129(5) -0.020(3) 0.015(4) -0.028(3)
Cl18 0.254(9) 0.101(4) 0.245(9) -0.086(5) -0.171(8) 0.037(5)
Cl19 0.078(2) 0.147(4) 0.050(2) -0.021(2) -0.0156(18) 0.044(3)
Cl20 0.074(2) 0.090(3) 0.118(4) 0.012(3) -0.041(2) 0.001(2)
Cl21 0.143(5) 0.223(8) 0.352(11) -0.231(9) -0.146(7) 0.075(5)
Cl22 0.143(5) 0.094(4) 0.259(9) -0.053(4) -0.126(6) 0.014(3)
Cl23 0.251(9) 0.148(6) 0.148(6) -0.079(5) -0.015(6) -0.069(6)
Cl24 0.295(11) 0.110(5) 0.64(2) -0.022(9) -0.383(16) 0.016(6)
Cl25 0.144(5) 0.104(4) 0.338(12) -0.038(5) -0.164(7) 0.028(4)
Cl26 0.181(7) 0.076(3) 0.299(11) 0.016(5) -0.083(7) -0.024(4)
Cl27 0.142(6) 0.183(8) 0.350(14) -0.155(9) 0.082(8) -0.040(6)
Cl28 0.136(5) 0.216(8) 0.152(6) -0.082(6) -0.084(5) 0.029(5)
Cl29 0.101(5) 0.57(3) 0.263(13) -0.183(16) -0.027(7) -0.033(10)
Cl30 0.168(8) 0.71(3) 0.166(8) -0.224(14) 0.054(7) -0.169(13)
Cl31 0.078(5) 0.111(6) 0.058(4) -0.010(4) -0.014(4) 0.018(4)
Cl32 0.099(6) 0.105(7) 0.120(8) -0.058(6) 0.017(6) 0.000(5)
Cl33 0.067(5) 0.119(7) 0.063(5) -0.009(4) -0.014(4) 0.046(5)
Cl34 0.133(5) 0.168(6) 0.157(6) -0.014(5) -0.009(5) 0.033(5)
Cl35 0.212(8) 0.136(6) 0.216(9) -0.002(6) -0.108(7) -0.005(6)
Cl36 0.183(8) 0.282(12) 0.45(2) -0.294(15) 0.072(10) -0.063(8)

_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 O1 2.083(7) . ?
Ru1 O18 2.097(10) 2_666 ?
Ru1 N1 2.110(9) . ?
Ru1 C83 2.147(9) . ?
Ru1 C82 2.157(9) . ?
Ru1 C84 2.159(9) . ?
Ru1 C81 2.180(9) . ?
Ru1 C79 2.181(10) . ?
Ru1 C80 2.192(10) . ?
Ru2 O25 2.067(10) 2_666 ?
Ru2 O8 2.087(11) . ?
Ru2 N2 2.118(10) . ?
Ru2 C94 2.157(14) . ?
Ru2 C93 2.160(13) . ?
Ru2 C89 2.166(11) . ?
Ru2 C92 2.173(10) . ?
Ru2 C90 2.178(11) . ?
Ru2 C91 2.181(12) . ?
Ru3 O15 2.075(7) . ?
Ru3 O4 2.105(7) 2_666 ?
Ru3 N3 2.125(8) . ?
Ru3 C103 2.138(11) . ?
Ru3 C100 2.150(16) . ?
Ru3 C99 2.167(17) . ?
Ru3 C101 2.174(15) . ?
Ru3 C102 2.176(13) . ?
Ru3 C104 2.198(12) . ?
Ru4 O22 2.092(7) . ?
Ru4 N4 2.101(8) . ?
Ru4 O11 2.125(7) 2_666 ?
Ru4 C110 2.141(12) . ?
Ru4 C114 2.156(11) . ?
Ru4 C113 2.171(12) . ?
Ru4 C109 2.180(13) . ?
Ru4 C111 2.185(12) . ?
Ru4 C112 2.215(11) . ?
O1 C47 1.259(14) . ?
O2 C47 1.198(15) . ?
O3 C51 1.352(12) . ?
O3 C48 1.366(16) . ?
O4 C52 1.255(11) . ?
O4 Ru3 2.105(7) 2_666 ?
O5 C52 1.266(12) . ?
O6 C49 1.380(18) . ?
O6 C53 1.46(2) . ?
O7 C54 1.25(6) . ?
O7 C50 1.346(16) . ?
O8 C55 1.24(2) . ?
O9 C55 1.257(17) . ?
O10 C59 1.318(16) . ?
O10 C56 1.393(15) . ?
O11 C60 1.262(14) . ?
O11 Ru4 2.125(7) 2_666 ?
O12 C60 1.268(16) . ?
O13 C61 1.38(4) . ?
O13 C57 1.402(18) . ?
O14 C58 1.43(2) . ?
O14 C62 1.44(2) . ?
O15 C63 1.325(13) . ?
O16 C63 1.234(15) . ?
O17 C67 1.340(14) . ?
O17 C64 1.350(15) . ?
O18 C68 1.268(15) . ?
O18 Ru1 2.097(10) 2_666 ?
O19 C68 1.259(15) . ?
O20 C65 1.351(17) . ?
O20 C69 1.64(3) . ?
O21 C70 1.379(19) . ?
O21 C66 1.395(15) . ?
O22 C71 1.312(13) . ?
O23 C71 1.225(14) . ?
O24 C75 1.356(14) . ?
O24 C72 1.415(13) . ?
O25 C76 1.275(19) . ?
O25 Ru2 2.067(10) 2_666 ?
O26 C76 1.250(18) . ?
O27 C73 1.374(16) . ?
O27 C77 1.41(2) . ?
O28 C74 1.380(16) . ?
O28 C78 1.453(19) . ?
N1 C3 1.329(14) . ?
N1 C7 1.340(14) . ?
N2 C18 1.35(2) . ?
N2 C14 1.356(19) . ?
N3 C25 1.351(13) . ?
N3 C29 1.381(13) . ?
N4 C40 1.336(13) . ?
N4 C36 1.363(13) . ?
C1 C2 1.343(15) . ?
C1 C11 1.476(14) . ?
C1 C22 1.494(15) . ?
C2 C44 1.502(15) . ?
C2 C33 1.507(14) . ?
C3 C4 1.386(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.373(16) . ?
C5 C8 1.515(14) . ?
C6 C7 1.433(14) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.374(15) . ?
C8 C13 1.389(15) . ?
C9 C10 1.375(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.428(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.386(15) . ?
C12 C13 1.422(14) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.362(19) . ?
C14 H14 0.9500 . ?
C15 C16 1.461(18) . ?
C15 H15 0.9500 . ?
C16 C17 1.391(19) . ?
C16 C19 1.481(16) . ?
C17 C18 1.386(18) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.407(17) . ?
C19 C20 1.428(19) . ?
C20 C21 1.435(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(17) . ?
C21 H21 0.9500 . ?
C22 C23 1.432(17) . ?
C23 C24 1.411(16) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.338(15) . ?
C25 H25 0.9500 . ?
C26 C27 1.413(15) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(14) . ?
C27 C30 1.510(14) . ?
C28 C29 1.394(14) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C35 1.363(15) . ?
C30 C31 1.417(14) . ?
C31 C32 1.367(14) . ?
C31 H31 0.9500 . ?
C32 C33 1.403(15) . ?
C32 H32 0.9500 . ?
C33 C34 1.390(15) . ?
C34 C35 1.384(14) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.409(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.398(14) . ?
C37 H37 0.9500 . ?
C38 C39 1.380(15) . ?
C38 C41 1.500(15) . ?
C39 C40 1.402(15) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.391(15) . ?
C41 C46 1.402(14) . ?
C42 C43 1.385(15) . ?
C42 H42 0.9500 . ?
C43 C44 1.399(15) . ?
C43 H43 0.9500 . ?
C44 C45 1.401(15) . ?
C45 C46 1.401(15) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.537(18) . ?
C48 C49 1.362(17) . ?
C49 C50 1.43(2) . ?
C50 C51 1.375(16) . ?
C51 C52 1.488(15) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.47(3) . ?
C56 C57 1.35(2) . ?
C57 C58 1.37(2) . ?
C58 C59 1.42(2) . ?
C59 C60 1.464(18) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.483(18) . ?
C64 C65 1.373(15) . ?
C65 C66 1.38(2) . ?
C66 C67 1.355(18) . ?
C67 C68 1.54(2) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.486(16) . ?
C72 C73 1.373(16) . ?
C73 C74 1.45(2) . ?
C74 C75 1.35(2) . ?
C75 C76 1.49(2) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C79 C85 1.41(2) . ?
C80 C81 1.3900 . ?
C80 H80 0.9500 . ?
C81 C82 1.3900 . ?
C81 H81 0.9500 . ?
C82 C83 1.3900 . ?
C82 C86 1.475(17) . ?
C83 C84 1.3900 . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C88 1.424(18) . ?
C86 C87 1.517(18) . ?
C86 H86 1.0000 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C90 1.3900 . ?
C89 C94 1.3900 . ?
C89 C95 1.72(3) . ?
C90 C91 1.3900 . ?
C90 H90 0.9500 . ?
C91 C92 1.3900 . ?
C91 H91 0.9500 . ?
C92 C93 1.3900 . ?
C92 C96 1.482(17) . ?
C93 C94 1.3900 . ?
C93 H93 0.9500 . ?
C94 H94 0.9500 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 C97 1.494(18) . ?
C96 C98 1.568(19) . ?
C96 H96 1.0000 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.37(3) . ?
C99 C104 1.38(2) . ?
C99 C105 1.64(3) . ?
C100 C101 1.39(3) . ?
C100 H100 0.9500 . ?
C101 C102 1.39(3) . ?
C101 H101 0.9500 . ?
C102 C103 1.47(2) . ?
C102 C106 1.54(3) . ?
C103 C104 1.398(18) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 H10A 0.9800 . ?
C105 H10B 0.9800 . ?
C105 H10C 0.9800 . ?
C106 C108 1.59(3) . ?
C106 C107 1.67(4) . ?
C106 H106 1.0000 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 C114 1.421(19) . ?
C109 C110 1.44(2) . ?
C109 C115 1.52(2) . ?
C110 C111 1.33(2) . ?
C110 H110 0.9500 . ?
C111 C112 1.45(2) . ?
C111 H111 0.9500 . ?
C112 C113 1.35(2) . ?
C112 C116 1.52(2) . ?
C113 C114 1.37(2) . ?
C113 H113 0.9500 . ?
C114 H114 0.9500 . ?
C115 H11A 0.9800 . ?
C115 H11B 0.9800 . ?
C115 H11C 0.9800 . ?
C116 C117 1.41(4) . ?
C116 C118 1.52(3) . ?
C116 H116 1.0000 . ?
C117 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C118 H11G 0.9800 . ?
C118 H11H 0.9800 . ?
C118 H11I 0.9800 . ?
C119 Cl3 1.720(17) . ?
C119 Cl1 1.733(17) . ?
C119 Cl2 1.848(18) . ?
C119 H119 1.0000 . ?
C120 Cl4 1.741(14) . ?
C120 Cl6 1.758(14) . ?
C120 Cl5 1.789(12) . ?
C120 H120 1.0000 . ?
C121 Cl7 1.703(16) . ?
C121 Cl8 1.736(13) . ?
C121 Cl9 1.786(14) . ?
C121 H121 1.0000 . ?
C122 Cl12 1.732(14) . ?
C122 Cl11 1.756(16) . ?
C122 Cl10 1.762(13) . ?
C122 H122 1.0000 . ?
C123 Cl13 1.724(17) . ?
C123 Cl15 1.748(14) . ?
C123 Cl14 1.792(18) . ?
C123 H123 1.0000 . ?
C124 Cl17 1.74(2) . ?
C124 Cl18 1.76(2) . ?
C124 Cl16 1.78(2) . ?
C124 H124 1.0000 . ?
C125 Cl21 1.686(16) . ?
C125 Cl20 1.71(2) . ?
C125 Cl19 1.781(19) . ?
C125 H125 1.0000 . ?
C126 Cl24 1.57(3) . ?
C126 Cl22 1.72(4) . ?
C126 Cl23 1.93(5) . ?
C126 H126 1.0000 . ?
C127 Cl27 1.773(15) . ?
C127 Cl26 1.791(14) . ?
C127 Cl25 1.800(15) . ?
C127 H127 1.0000 . ?
C128 Cl30 1.37(3) . ?
C128 Cl28 1.75(3) . ?
C128 Cl29 1.85(5) . ?
C128 H128 1.0000 . ?
C129 Cl32 1.69(4) . ?
C129 Cl33 1.72(3) . ?
C129 Cl31 1.84(4) . ?
C129 H129 1.0000 . ?
C130 Cl34 1.55(3) . ?
C130 Cl35 1.78(3) . ?
C130 Cl36 1.83(3) . ?
C130 H130 1.0000 . ?
Cl33 Cl33 1.60(2) 2_765 ?

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 Ru1 O18 76.1(3) . 2_666 ?
O1 Ru1 N1 82.4(3) . . ?
O18 Ru1 N1 83.5(3) 2_666 . ?
O1 Ru1 C83 140.4(5) . . ?
O18 Ru1 C83 93.1(4) 2_666 . ?
N1 Ru1 C83 134.9(5) . . ?
O1 Ru1 C82 106.9(4) . . ?
O18 Ru1 C82 102.6(4) 2_666 . ?
N1 Ru1 C82 169.8(4) . . ?
C83 Ru1 C82 37.68(15) . . ?
O1 Ru1 C84 171.4(4) . . ?
O18 Ru1 C84 111.3(4) 2_666 . ?
N1 Ru1 C84 102.5(4) . . ?
C83 Ru1 C84 37.67(14) . . ?
C82 Ru1 C84 67.8(2) . . ?
O1 Ru1 C81 92.0(3) . . ?
O18 Ru1 C81 133.1(4) 2_666 . ?
N1 Ru1 C81 140.5(4) . . ?
C83 Ru1 C81 67.6(2) . . ?
C82 Ru1 C81 37.38(15) . . ?
C84 Ru1 C81 79.7(2) . . ?
O1 Ru1 C79 136.6(5) . . ?
O18 Ru1 C79 145.8(4) 2_666 . ?
N1 Ru1 C79 90.7(4) . . ?
C83 Ru1 C79 67.6(2) . . ?
C82 Ru1 C79 79.7(2) . . ?
C84 Ru1 C79 37.35(15) . . ?
C81 Ru1 C79 67.0(2) . . ?
O1 Ru1 C80 104.7(4) . . ?
O18 Ru1 C80 169.7(3) 2_666 . ?
N1 Ru1 C80 106.8(4) . . ?
C83 Ru1 C80 79.7(2) . . ?
C82 Ru1 C80 67.2(2) . . ?
C84 Ru1 C80 67.2(2) . . ?
C81 Ru1 C80 37.08(16) . . ?
C79 Ru1 C80 37.07(16) . . ?
O25 Ru2 O8 75.4(4) 2_666 . ?
O25 Ru2 N2 85.3(4) 2_666 . ?
O8 Ru2 N2 86.8(5) . . ?
O25 Ru2 C94 92.2(5) 2_666 . ?
O8 Ru2 C94 137.9(7) . . ?
N2 Ru2 C94 132.9(8) . . ?
O25 Ru2 C93 111.3(7) 2_666 . ?
O8 Ru2 C93 170.2(4) . . ?
N2 Ru2 C93 100.7(6) . . ?
C94 Ru2 C93 37.6(2) . . ?
O25 Ru2 C89 100.8(5) 2_666 . ?
O8 Ru2 C89 104.5(6) . . ?
N2 Ru2 C89 168.1(6) . . ?
C94 Ru2 C89 37.5(2) . . ?
C93 Ru2 C89 67.6(3) . . ?
O25 Ru2 C92 146.4(7) 2_666 . ?
O8 Ru2 C92 137.5(7) . . ?
N2 Ru2 C92 89.5(4) . . ?
C94 Ru2 C92 67.6(3) . . ?
C93 Ru2 C92 37.42(17) . . ?
C89 Ru2 C92 79.7(2) . . ?
O25 Ru2 C90 131.0(5) 2_666 . ?
O8 Ru2 C90 90.5(5) . . ?
N2 Ru2 C90 141.4(6) . . ?
C94 Ru2 C90 67.5(2) . . ?
C93 Ru2 C90 79.7(2) . . ?
C89 Ru2 C90 37.33(16) . . ?
C92 Ru2 C90 67.2(2) . . ?
O25 Ru2 C91 167.8(4) 2_666 . ?
O8 Ru2 C91 104.5(6) . . ?
N2 Ru2 C91 106.9(5) . . ?
C94 Ru2 C91 79.7(2) . . ?
C93 Ru2 C91 67.4(2) . . ?
C89 Ru2 C91 67.3(2) . . ?
C92 Ru2 C91 37.24(17) . . ?
C90 Ru2 C91 37.19(18) . . ?
O15 Ru3 O4 77.0(3) . 2_666 ?
O15 Ru3 N3 86.0(3) . . ?
O4 Ru3 N3 85.2(3) 2_666 . ?
O15 Ru3 C103 148.2(4) . . ?
O4 Ru3 C103 91.9(4) 2_666 . ?
N3 Ru3 C103 123.2(4) . . ?
O15 Ru3 C100 100.3(6) . . ?
O4 Ru3 C100 161.7(7) 2_666 . ?
N3 Ru3 C100 112.9(7) . . ?
C103 Ru3 C100 81.0(6) . . ?
O15 Ru3 C99 129.9(6) . . ?
O4 Ru3 C99 152.5(6) 2_666 . ?
N3 Ru3 C99 90.6(6) . . ?
C103 Ru3 C99 67.9(6) . . ?
C100 Ru3 C99 37.1(8) . . ?
O15 Ru3 C101 93.7(5) . . ?
O4 Ru3 C101 124.2(7) 2_666 . ?
N3 Ru3 C101 149.9(7) . . ?
C103 Ru3 C101 67.8(5) . . ?
C100 Ru3 C101 37.5(8) . . ?
C99 Ru3 C101 66.7(9) . . ?
O15 Ru3 C102 110.5(5) . . ?
O4 Ru3 C102 94.7(6) 2_666 . ?
N3 Ru3 C102 163.1(5) . . ?
C103 Ru3 C102 39.9(5) . . ?
C100 Ru3 C102 69.1(8) . . ?
C99 Ru3 C102 81.8(7) . . ?
C101 Ru3 C102 37.2(7) . . ?
O15 Ru3 C104 166.5(4) . . ?
O4 Ru3 C104 116.5(4) 2_666 . ?
N3 Ru3 C104 95.3(4) . . ?
C103 Ru3 C104 37.6(5) . . ?
C100 Ru3 C104 66.8(7) . . ?
C99 Ru3 C104 36.8(6) . . ?
C101 Ru3 C104 78.4(6) . . ?
C102 Ru3 C104 69.6(6) . . ?
O22 Ru4 N4 85.9(3) . . ?
O22 Ru4 O11 76.9(3) . 2_666 ?
N4 Ru4 O11 85.2(3) . 2_666 ?
O22 Ru4 C110 146.8(5) . . ?
N4 Ru4 C110 125.2(5) . . ?
O11 Ru4 C110 93.1(4) 2_666 . ?
O22 Ru4 C114 128.5(4) . . ?
N4 Ru4 C114 90.3(4) . . ?
O11 Ru4 C114 153.9(5) 2_666 . ?
C110 Ru4 C114 68.7(5) . . ?
O22 Ru4 C113 100.0(5) . . ?
N4 Ru4 C113 113.9(5) . . ?
O11 Ru4 C113 160.6(5) 2_666 . ?
C110 Ru4 C113 78.9(5) . . ?
C114 Ru4 C113 37.0(6) . . ?
O22 Ru4 C109 166.7(4) . . ?
N4 Ru4 C109 94.5(5) . . ?
O11 Ru4 C109 116.4(4) 2_666 . ?
C110 Ru4 C109 38.8(5) . . ?
C114 Ru4 C109 38.3(5) . . ?
C113 Ru4 C109 67.6(6) . . ?
O22 Ru4 C111 113.2(5) . . ?
N4 Ru4 C111 160.8(5) . . ?
O11 Ru4 C111 96.8(5) 2_666 . ?
C110 Ru4 C111 35.7(5) . . ?
C114 Ru4 C111 79.5(6) . . ?
C113 Ru4 C111 66.5(6) . . ?
C109 Ru4 C111 67.4(6) . . ?
O22 Ru4 C112 92.0(4) . . ?
N4 Ru4 C112 148.8(5) . . ?
O11 Ru4 C112 124.6(5) 2_666 . ?
C110 Ru4 C112 67.5(5) . . ?
C114 Ru4 C112 66.9(6) . . ?
C113 Ru4 C112 35.9(6) . . ?
C109 Ru4 C112 80.7(5) . . ?
C111 Ru4 C112 38.6(5) . . ?
C47 O1 Ru1 125.8(8) . . ?
C51 O3 C48 108.8(8) . . ?
C52 O4 Ru3 129.3(7) . 2_666 ?
C49 O6 C53 107(2) . . ?
C54 O7 C50 113(2) . . ?
C55 O8 Ru2 127.3(10) . . ?
C59 O10 C56 109.0(11) . . ?
C60 O11 Ru4 128.6(8) . 2_666 ?
C61 O13 C57 116(3) . . ?
C58 O14 C62 117(2) . . ?
C63 O15 Ru3 126.5(8) . . ?
C67 O17 C64 105.9(9) . . ?
C68 O18 Ru1 125.8(9) . 2_666 ?
C65 O20 C69 104.7(14) . . ?
C70 O21 C66 114.3(11) . . ?
C71 O22 Ru4 126.3(7) . . ?
C75 O24 C72 108.7(9) . . ?
C76 O25 Ru2 126.1(9) . 2_666 ?
C73 O27 C77 112.3(10) . . ?
C74 O28 C78 114.9(9) . . ?
C3 N1 C7 117.1(9) . . ?
C3 N1 Ru1 119.4(7) . . ?
C7 N1 Ru1 123.4(7) . . ?
C18 N2 C14 116.2(11) . . ?
C18 N2 Ru2 120.9(11) . . ?
C14 N2 Ru2 122.9(10) . . ?
C25 N3 C29 118.3(8) . . ?
C25 N3 Ru3 121.0(6) . . ?
C29 N3 Ru3 120.6(6) . . ?
C40 N4 C36 117.3(9) . . ?
C40 N4 Ru4 122.2(7) . . ?
C36 N4 Ru4 120.5(6) . . ?
C2 C1 C11 123.8(9) . . ?
C2 C1 C22 121.7(9) . . ?
C11 C1 C22 114.6(9) . . ?
C1 C2 C44 123.1(9) . . ?
C1 C2 C33 124.4(9) . . ?
C44 C2 C33 112.4(9) . . ?
N1 C3 C4 124.9(11) . . ?
N1 C3 H3 117.5 . . ?
C4 C3 H3 117.5 . . ?
C3 C4 C5 118.0(11) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
C6 C5 C4 118.9(10) . . ?
C6 C5 C8 120.9(10) . . ?
C4 C5 C8 120.1(10) . . ?
C5 C6 C7 118.8(11) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
N1 C7 C6 122.0(10) . . ?
N1 C7 H7 119.0 . . ?
C6 C7 H7 119.0 . . ?
C9 C8 C13 119.1(9) . . ?
C9 C8 C5 120.4(9) . . ?
C13 C8 C5 120.3(9) . . ?
C10 C9 C8 122.4(10) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C11 120.0(10) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 117.7(9) . . ?
C12 C11 C1 122.6(9) . . ?
C10 C11 C1 119.7(9) . . ?
C11 C12 C13 121.2(9) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C8 C13 C12 119.6(9) . . ?
C8 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
N2 C14 C15 125.6(14) . . ?
N2 C14 H14 117.2 . . ?
C15 C14 H14 117.2 . . ?
C14 C15 C16 117.2(13) . . ?
C14 C15 H15 121.4 . . ?
C16 C15 H15 121.4 . . ?
C17 C16 C15 117.5(11) . . ?
C17 C16 C19 121.9(11) . . ?
C15 C16 C19 120.5(11) . . ?
C18 C17 C16 119.2(13) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
N2 C18 C17 124.2(14) . . ?
N2 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?
C24 C19 C20 120.2(10) . . ?
C24 C19 C16 120.5(12) . . ?
C20 C19 C16 119.2(11) . . ?
C19 C20 C21 119.0(11) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 121.3(12) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 118.6(10) . . ?
C21 C22 C1 124.3(11) . . ?
C23 C22 C1 117.2(10) . . ?
C24 C23 C22 121.5(10) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C19 C24 C23 119.3(11) . . ?
C19 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C26 C25 N3 124.0(9) . . ?
C26 C25 H25 118.0 . . ?
N3 C25 H25 118.0 . . ?
C25 C26 C27 119.8(9) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C28 C27 C26 116.5(9) . . ?
C28 C27 C30 122.1(9) . . ?
C26 C27 C30 121.1(8) . . ?
C27 C28 C29 122.5(9) . . ?
C27 C28 H28 118.8 . . ?
C29 C28 H28 118.8 . . ?
N3 C29 C28 118.8(8) . . ?
N3 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C35 C30 C31 119.3(9) . . ?
C35 C30 C27 122.2(9) . . ?
C31 C30 C27 118.5(9) . . ?
C32 C31 C30 119.0(10) . . ?
C32 C31 H31 120.5 . . ?
C30 C31 H31 120.5 . . ?
C31 C32 C33 122.4(9) . . ?
C31 C32 H32 118.8 . . ?
C33 C32 H32 118.8 . . ?
C34 C33 C32 117.1(9) . . ?
C34 C33 C2 122.6(10) . . ?
C32 C33 C2 120.1(9) . . ?
C35 C34 C33 121.1(9) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C30 C35 C34 121.0(9) . . ?
C30 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?
N4 C36 C37 122.9(9) . . ?
N4 C36 H36 118.5 . . ?
C37 C36 H36 118.5 . . ?
C38 C37 C36 118.3(9) . . ?
C38 C37 H37 120.9 . . ?
C36 C37 H37 120.9 . . ?
C39 C38 C37 118.6(9) . . ?
C39 C38 C41 121.1(9) . . ?
C37 C38 C41 120.3(9) . . ?
C38 C39 C40 119.6(9) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
N4 C40 C39 123.0(9) . . ?
N4 C40 H40 118.5 . . ?
C39 C40 H40 118.5 . . ?
C42 C41 C46 117.3(9) . . ?
C42 C41 C38 123.7(9) . . ?
C46 C41 C38 119.1(9) . . ?
C43 C42 C41 122.9(9) . . ?
C43 C42 H42 118.6 . . ?
C41 C42 H42 118.6 . . ?
C42 C43 C44 119.9(10) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C45 118.2(9) . . ?
C43 C44 C2 123.8(9) . . ?
C45 C44 C2 118.0(9) . . ?
C46 C45 C44 121.1(9) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C41 120.6(10) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
O2 C47 O1 130.4(12) . . ?
O2 C47 C48 117.6(11) . . ?
O1 C47 C48 112.0(12) . . ?
C49 C48 O3 108.0(11) . . ?
C49 C48 C47 132.6(13) . . ?
O3 C48 C47 119.3(10) . . ?
C48 C49 O6 125.1(14) . . ?
C48 C49 C50 108.3(12) . . ?
O6 C49 C50 126.6(11) . . ?
O7 C50 C51 125.0(13) . . ?
O7 C50 C49 129.8(12) . . ?
C51 C50 C49 105.1(10) . . ?
O3 C51 C50 109.8(10) . . ?
O3 C51 C52 117.1(8) . . ?
C50 C51 C52 133.0(10) . . ?
O4 C52 O5 125.8(10) . . ?
O4 C52 C51 115.5(8) . . ?
O5 C52 C51 118.7(8) . . ?
O6 C53 H53A 109.5 . . ?
O6 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
O6 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O7 C54 H54A 109.5 . . ?
O7 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
O7 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O8 C55 O9 127(2) . . ?
O8 C55 C56 116.4(11) . . ?
O9 C55 C56 116.1(18) . . ?
C57 C56 O10 108.5(15) . . ?
C57 C56 C55 134.1(14) . . ?
O10 C56 C55 117.3(14) . . ?
C56 C57 C58 107.6(13) . . ?
C56 C57 O13 125.7(17) . . ?
C58 C57 O13 126.7(17) . . ?
C57 C58 C59 107.7(16) . . ?
C57 C58 O14 130.8(14) . . ?
C59 C58 O14 121.5(15) . . ?
O10 C59 C58 107.0(12) . . ?
O10 C59 C60 118.7(11) . . ?
C58 C59 C60 134.3(15) . . ?
O11 C60 O12 125.7(12) . . ?
O11 C60 C59 114.5(12) . . ?
O12 C60 C59 119.9(11) . . ?
O13 C61 H61A 109.5 . . ?
O13 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
O13 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O14 C62 H62A 109.5 . . ?
O14 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
O14 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O16 C63 O15 124.4(11) . . ?
O16 C63 C64 120.7(10) . . ?
O15 C63 C64 114.8(11) . . ?
O17 C64 C65 110.5(12) . . ?
O17 C64 C63 116.4(9) . . ?
C65 C64 C63 132.9(13) . . ?
O20 C65 C64 128.0(13) . . ?
O20 C65 C66 126.4(10) . . ?
C64 C65 C66 105.6(12) . . ?
C67 C66 C65 107.3(11) . . ?
C67 C66 O21 124.9(15) . . ?
C65 C66 O21 127.7(12) . . ?
O17 C67 C66 110.6(13) . . ?
O17 C67 C68 117.0(10) . . ?
C66 C67 C68 132.3(11) . . ?
O19 C68 O18 127.3(15) . . ?
O19 C68 C67 117.1(12) . . ?
O18 C68 C67 115.6(11) . . ?
O20 C69 H69A 109.5 . . ?
O20 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
O20 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
O21 C70 H70A 109.5 . . ?
O21 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
O21 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O23 C71 O22 129.4(10) . . ?
O23 C71 C72 117.8(10) . . ?
O22 C71 C72 112.7(9) . . ?
C73 C72 O24 107.7(10) . . ?
C73 C72 C71 134.4(11) . . ?
O24 C72 C71 117.8(9) . . ?
C72 C73 O27 127.0(12) . . ?
C72 C73 C74 106.1(12) . . ?
O27 C73 C74 126.6(12) . . ?
C75 C74 O28 127.0(14) . . ?
C75 C74 C73 108.0(12) . . ?
O28 C74 C73 125.0(14) . . ?
C74 C75 O24 109.4(12) . . ?
C74 C75 C76 133.7(13) . . ?
O24 C75 C76 117.0(13) . . ?
O26 C76 O25 125.8(15) . . ?
O26 C76 C75 118.9(16) . . ?
O25 C76 C75 115.3(13) . . ?
O27 C77 H77A 109.5 . . ?
O27 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
O27 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
O28 C78 H78A 109.5 . . ?
O28 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
O28 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 C79 C84 120.0 . . ?
C80 C79 C85 129.7(17) . . ?
C84 C79 C85 110.3(17) . . ?
C80 C79 Ru1 71.9(3) . . ?
C84 C79 Ru1 70.5(3) . . ?
C85 C79 Ru1 127.1(10) . . ?
C81 C80 C79 120.0 . . ?
C81 C80 Ru1 71.0(3) . . ?
C79 C80 Ru1 71.1(3) . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
Ru1 C80 H80 130.6 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 Ru1 71.9(3) . . ?
C82 C81 Ru1 70.4(3) . . ?
C80 C81 H81 120.0 . . ?
C82 C81 H81 120.0 . . ?
Ru1 C81 H81 130.2 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 C86 101.7(15) . . ?
C81 C82 C86 137.1(14) . . ?
C83 C82 Ru1 70.8(3) . . ?
C81 C82 Ru1 72.2(3) . . ?
C86 C82 Ru1 136.8(12) . . ?
C84 C83 C82 120.0 . . ?
C84 C83 Ru1 71.6(3) . . ?
C82 C83 Ru1 71.6(3) . . ?
C84 C83 H83 120.0 . . ?
C82 C83 H83 120.0 . . ?
Ru1 C83 H83 129.1 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 Ru1 70.7(3) . . ?
C79 C84 Ru1 72.2(3) . . ?
C83 C84 H84 120.0 . . ?
C79 C84 H84 120.0 . . ?
Ru1 C84 H84 129.5 . . ?
C79 C85 H85A 109.5 . . ?
C79 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C79 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C88 C86 C82 96.8(18) . . ?
C88 C86 C87 113(2) . . ?
C82 C86 C87 109.0(17) . . ?
C88 C86 H86 112.3 . . ?
C82 C86 H86 112.3 . . ?
C87 C86 H86 112.3 . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C86 C88 H88A 109.5 . . ?
C86 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C86 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 C94 120.0 . . ?
C90 C89 C95 118(2) . . ?
C94 C89 C95 122(2) . . ?
C90 C89 Ru2 71.8(5) . . ?
C94 C89 Ru2 70.9(5) . . ?
C95 C89 Ru2 126.7(10) . . ?
C91 C90 C89 120.0 . . ?
C91 C90 Ru2 71.5(4) . . ?
C89 C90 Ru2 70.9(5) . . ?
C91 C90 H90 120.0 . . ?
C89 C90 H90 120.0 . . ?
Ru2 C90 H90 130.1 . . ?
C90 C91 C92 120.0 . . ?
C90 C91 Ru2 71.3(4) . . ?
C92 C91 Ru2 71.0(4) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 H91 120.0 . . ?
Ru2 C91 H91 130.2 . . ?
C91 C92 C93 120.0 . . ?
C91 C92 C96 140.3(19) . . ?
C93 C92 C96 99(2) . . ?
C91 C92 Ru2 71.7(4) . . ?
C93 C92 Ru2 70.8(5) . . ?
C96 C92 Ru2 131.2(11) . . ?
C94 C93 C92 120.0 . . ?
C94 C93 Ru2 71.1(4) . . ?
C92 C93 Ru2 71.8(5) . . ?
C94 C93 H93 120.0 . . ?
C92 C93 H93 120.0 . . ?
Ru2 C93 H93 129.6 . . ?
C93 C94 C89 120.0 . . ?
C93 C94 Ru2 71.4(4) . . ?
C89 C94 Ru2 71.6(4) . . ?
C93 C94 H94 120.0 . . ?
C89 C94 H94 120.0 . . ?
Ru2 C94 H94 129.5 . . ?
C89 C95 H95A 109.5 . . ?
C89 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C89 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C92 C96 C97 92.9(19) . . ?
C92 C96 C98 116(2) . . ?
C97 C96 C98 104(3) . . ?
C92 C96 H96 114.0 . . ?
C97 C96 H96 114.0 . . ?
C98 C96 H96 114.0 . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 C104 120.9(18) . . ?
C100 C99 C105 126.8(19) . . ?
C104 C99 C105 112(2) . . ?
C100 C99 Ru3 70.8(11) . . ?
C104 C99 Ru3 72.8(9) . . ?
C105 C99 Ru3 120.5(11) . . ?
C99 C100 C101 119.4(16) . . ?
C99 C100 Ru3 72.1(10) . . ?
C101 C100 Ru3 72.2(10) . . ?
C99 C100 H100 120.3 . . ?
C101 C100 H100 120.3 . . ?
Ru3 C100 H100 127.4 . . ?
C102 C101 C100 123.9(17) . . ?
C102 C101 Ru3 71.5(9) . . ?
C100 C101 Ru3 70.3(10) . . ?
C102 C101 H101 118.0 . . ?
C100 C101 H101 118.0 . . ?
Ru3 C101 H101 134.2 . . ?
C101 C102 C103 114.5(16) . . ?
C101 C102 C106 129.5(18) . . ?
C103 C102 C106 115.9(17) . . ?
C101 C102 Ru3 71.3(9) . . ?
C103 C102 Ru3 68.7(7) . . ?
C106 C102 Ru3 128.1(14) . . ?
C104 C103 C102 120.8(13) . . ?
C104 C103 Ru3 73.5(7) . . ?
C102 C103 Ru3 71.5(7) . . ?
C104 C103 H103 119.6 . . ?
C102 C103 H103 119.6 . . ?
Ru3 C103 H103 127.5 . . ?
C99 C104 C103 120.0(14) . . ?
C99 C104 Ru3 70.4(9) . . ?
C103 C104 Ru3 68.9(7) . . ?
C99 C104 H104 120.0 . . ?
C103 C104 H104 120.0 . . ?
Ru3 C104 H104 134.1 . . ?
C99 C105 H10A 109.5 . . ?
C99 C105 H10B 109.5 . . ?
H10A C105 H10B 109.5 . . ?
C99 C105 H10C 109.5 . . ?
H10A C105 H10C 109.5 . . ?
H10B C105 H10C 109.5 . . ?
C102 C106 C108 107(2) . . ?
C102 C106 C107 117.0(19) . . ?
C108 C106 C107 123(2) . . ?
C102 C106 H106 102.2 . . ?
C108 C106 H106 102.2 . . ?
C107 C106 H106 102.2 . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C108 H10G 109.5 . . ?
C106 C108 H10H 109.5 . . ?
H10G C108 H10H 109.5 . . ?
C106 C108 H10I 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C114 C109 C110 116.0(14) . . ?
C114 C109 C115 122.6(14) . . ?
C110 C109 C115 121.1(13) . . ?
C114 C109 Ru4 69.9(7) . . ?
C110 C109 Ru4 69.1(7) . . ?
C115 C109 Ru4 126.2(9) . . ?
C111 C110 C109 122.3(14) . . ?
C111 C110 Ru4 74.0(8) . . ?
C109 C110 Ru4 72.0(7) . . ?
C111 C110 H110 118.8 . . ?
C109 C110 H110 118.8 . . ?
Ru4 C110 H110 127.3 . . ?
C110 C111 C112 121.0(14) . . ?
C110 C111 Ru4 70.4(7) . . ?
C112 C111 Ru4 71.8(7) . . ?
C110 C111 H111 119.5 . . ?
C112 C111 H111 119.5 . . ?
Ru4 C111 H111 131.2 . . ?
C113 C112 C111 116.4(14) . . ?
C113 C112 C116 120.8(14) . . ?
C111 C112 C116 122.8(15) . . ?
C113 C112 Ru4 70.2(7) . . ?
C111 C112 Ru4 69.6(7) . . ?
C116 C112 Ru4 131.2(10) . . ?
C112 C113 C114 124.1(14) . . ?
C112 C113 Ru4 73.8(7) . . ?
C114 C113 Ru4 70.9(7) . . ?
C112 C113 H113 117.9 . . ?
C114 C113 H113 117.9 . . ?
Ru4 C113 H113 130.3 . . ?
C113 C114 C109 120.1(14) . . ?
C113 C114 Ru4 72.1(7) . . ?
C109 C114 Ru4 71.8(7) . . ?
C113 C114 H114 120.0 . . ?
C109 C114 H114 120.0 . . ?
Ru4 C114 H114 128.4 . . ?
C109 C115 H11A 109.5 . . ?
C109 C115 H11B 109.5 . . ?
H11A C115 H11B 109.5 . . ?
C109 C115 H11C 109.5 . . ?
H11A C115 H11C 109.5 . . ?
H11B C115 H11C 109.5 . . ?
C117 C116 C112 113.7(17) . . ?
C117 C116 C118 110(2) . . ?
C112 C116 C118 107.2(16) . . ?
C117 C116 H116 108.5 . . ?
C112 C116 H116 108.5 . . ?
C118 C116 H116 108.5 . . ?
C116 C117 H11D 109.5 . . ?
C116 C117 H11E 109.5 . . ?
H11D C117 H11E 109.5 . . ?
C116 C117 H11F 109.5 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
C116 C118 H11G 109.5 . . ?
C116 C118 H11H 109.5 . . ?
H11G C118 H11H 109.5 . . ?
C116 C118 H11I 109.5 . . ?
H11G C118 H11I 109.5 . . ?
H11H C118 H11I 109.5 . . ?
Cl3 C119 Cl1 113.5(8) . . ?
Cl3 C119 Cl2 110.1(9) . . ?
Cl1 C119 Cl2 106.7(9) . . ?
Cl3 C119 H119 108.8 . . ?
Cl1 C119 H119 108.8 . . ?
Cl2 C119 H119 108.8 . . ?
Cl4 C120 Cl6 111.8(7) . . ?
Cl4 C120 Cl5 110.0(7) . . ?
Cl6 C120 Cl5 110.2(7) . . ?
Cl4 C120 H120 108.3 . . ?
Cl6 C120 H120 108.3 . . ?
Cl5 C120 H120 108.3 . . ?
Cl7 C121 Cl8 111.8(7) . . ?
Cl7 C121 Cl9 102.5(8) . . ?
Cl8 C121 Cl9 110.1(8) . . ?
Cl7 C121 H121 110.7 . . ?
Cl8 C121 H121 110.7 . . ?
Cl9 C121 H121 110.7 . . ?
Cl12 C122 Cl11 111.0(8) . . ?
Cl12 C122 Cl10 112.4(8) . . ?
Cl11 C122 Cl10 106.5(8) . . ?
Cl12 C122 H122 108.9 . . ?
Cl11 C122 H122 108.9 . . ?
Cl10 C122 H122 108.9 . . ?
Cl13 C123 Cl15 112.6(10) . . ?
Cl13 C123 Cl14 108.3(8) . . ?
Cl15 C123 Cl14 111.5(9) . . ?
Cl13 C123 H123 108.1 . . ?
Cl15 C123 H123 108.1 . . ?
Cl14 C123 H123 108.1 . . ?
Cl17 C124 Cl18 108.0(12) . . ?
Cl17 C124 Cl16 108.8(12) . . ?
Cl18 C124 Cl16 111.7(11) . . ?
Cl17 C124 H124 109.4 . . ?
Cl18 C124 H124 109.4 . . ?
Cl16 C124 H124 109.4 . . ?
Cl21 C125 Cl20 116.1(15) . . ?
Cl21 C125 Cl19 112.1(9) . . ?
Cl20 C125 Cl19 111.5(9) . . ?
Cl21 C125 H125 105.4 . . ?
Cl20 C125 H125 105.4 . . ?
Cl19 C125 H125 105.4 . . ?
Cl24 C126 Cl22 123(2) . . ?
Cl24 C126 Cl23 113(3) . . ?
Cl22 C126 Cl23 93.9(14) . . ?
Cl24 C126 H126 108.7 . . ?
Cl22 C126 H126 108.7 . . ?
Cl23 C126 H126 108.7 . . ?
Cl27 C127 Cl26 112.8(9) . . ?
Cl27 C127 Cl25 107.9(9) . . ?
Cl26 C127 Cl25 108.7(9) . . ?
Cl27 C127 H127 109.1 . . ?
Cl26 C127 H127 109.1 . . ?
Cl25 C127 H127 109.1 . . ?
Cl30 C128 Cl28 137(4) . . ?
Cl30 C128 Cl29 111(3) . . ?
Cl28 C128 Cl29 87.4(15) . . ?
Cl30 C128 H128 105.9 . . ?
Cl28 C128 H128 105.9 . . ?
Cl29 C128 H128 105.9 . . ?
Cl32 C129 Cl33 117(2) . . ?
Cl32 C129 Cl31 108.5(19) . . ?
Cl33 C129 Cl31 109.2(16) . . ?
Cl32 C129 H129 107.3 . . ?
Cl33 C129 H129 107.3 . . ?
Cl31 C129 H129 107.3 . . ?
Cl34 C130 Cl35 116.9(18) . . ?
Cl34 C130 Cl36 115.8(18) . . ?
Cl35 C130 Cl36 118.1(13) . . ?
Cl34 C130 H130 100.2 . . ?
Cl35 C130 H130 100.2 . . ?
Cl36 C130 H130 100.2 . . ?
Cl33 Cl33 C129 89.5(14) 2_765 . ?

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
O18 Ru1 O1 C47 -172.6(9) 2_666 . . . ?
N1 Ru1 O1 C47 -87.4(9) . . . . ?
C83 Ru1 O1 C47 109.6(10) . . . . ?
C82 Ru1 O1 C47 88.2(9) . . . . ?
C84 Ru1 O1 C47 38(4) . . . . ?
C81 Ru1 O1 C47 53.3(9) . . . . ?
C79 Ru1 O1 C47 -4.5(11) . . . . ?
C80 Ru1 O1 C47 18.0(10) . . . . ?
O25 Ru2 O8 C55 -179.3(13) 2_666 . . . ?
N2 Ru2 O8 C55 94.7(13) . . . . ?
C94 Ru2 O8 C55 -102.6(14) . . . . ?
C93 Ru2 O8 C55 -45(5) . . . . ?
C89 Ru2 O8 C55 -81.7(13) . . . . ?
C92 Ru2 O8 C55 8.8(15) . . . . ?
C90 Ru2 O8 C55 -46.8(13) . . . . ?
C91 Ru2 O8 C55 -11.9(13) . . . . ?
O4 Ru3 O15 C63 -176.4(8) 2_666 . . . ?
N3 Ru3 O15 C63 97.6(8) . . . . ?
C103 Ru3 O15 C63 -104.4(10) . . . . ?
C100 Ru3 O15 C63 -15.0(10) . . . . ?
C99 Ru3 O15 C63 10.2(11) . . . . ?
C101 Ru3 O15 C63 -52.2(10) . . . . ?
C102 Ru3 O15 C63 -86.3(10) . . . . ?
C104 Ru3 O15 C63 1(2) . . . . ?
N4 Ru4 O22 C71 -77.1(8) . . . . ?
O11 Ru4 O22 C71 -163.1(8) 2_666 . . . ?
C110 Ru4 O22 C71 121.6(10) . . . . ?
C114 Ru4 O22 C71 10.0(10) . . . . ?
C113 Ru4 O22 C71 36.4(9) . . . . ?
C109 Ru4 O22 C71 15(2) . . . . ?
C111 Ru4 O22 C71 105.0(9) . . . . ?
C112 Ru4 O22 C71 71.7(8) . . . . ?
O1 Ru1 N1 C3 63.7(8) . . . . ?
O18 Ru1 N1 C3 140.5(8) 2_666 . . . ?
C83 Ru1 N1 C3 -131.5(8) . . . . ?
C82 Ru1 N1 C3 -92(2) . . . . ?
C84 Ru1 N1 C3 -109.1(8) . . . . ?
C81 Ru1 N1 C3 -20.2(10) . . . . ?
C79 Ru1 N1 C3 -73.3(9) . . . . ?
C80 Ru1 N1 C3 -39.4(9) . . . . ?
O1 Ru1 N1 C7 -119.5(9) . . . . ?
O18 Ru1 N1 C7 -42.8(8) 2_666 . . . ?
C83 Ru1 N1 C7 45.2(11) . . . . ?
C82 Ru1 N1 C7 85(3) . . . . ?
C84 Ru1 N1 C7 67.7(9) . . . . ?
C81 Ru1 N1 C7 156.5(8) . . . . ?
C79 Ru1 N1 C7 103.4(9) . . . . ?
C80 Ru1 N1 C7 137.3(9) . . . . ?
O25 Ru2 N2 C18 -114.3(10) 2_666 . . . ?
O8 Ru2 N2 C18 -38.7(10) . . . . ?
C94 Ru2 N2 C18 157.0(10) . . . . ?
C93 Ru2 N2 C18 134.9(11) . . . . ?
C89 Ru2 N2 C18 124(3) . . . . ?
C92 Ru2 N2 C18 99.0(11) . . . . ?
C90 Ru2 N2 C18 48.1(14) . . . . ?
C91 Ru2 N2 C18 65.5(11) . . . . ?
O25 Ru2 N2 C14 64.9(10) 2_666 . . . ?
O8 Ru2 N2 C14 140.6(10) . . . . ?
C94 Ru2 N2 C14 -23.7(13) . . . . ?
C93 Ru2 N2 C14 -45.9(11) . . . . ?
C89 Ru2 N2 C14 -57(3) . . . . ?
C92 Ru2 N2 C14 -81.8(12) . . . . ?
C90 Ru2 N2 C14 -132.7(10) . . . . ?
C91 Ru2 N2 C14 -115.2(11) . . . . ?
O15 Ru3 N3 C25 142.3(9) . . . . ?
O4 Ru3 N3 C25 65.1(8) 2_666 . . . ?
C103 Ru3 N3 C25 -24.0(10) . . . . ?
C100 Ru3 N3 C25 -118.2(10) . . . . ?
C99 Ru3 N3 C25 -87.7(10) . . . . ?
C101 Ru3 N3 C25 -127.2(12) . . . . ?
C102 Ru3 N3 C25 -25(2) . . . . ?
C104 Ru3 N3 C25 -51.1(9) . . . . ?
O15 Ru3 N3 C29 -40.7(8) . . . . ?
O4 Ru3 N3 C29 -118.0(8) 2_666 . . . ?
C103 Ru3 N3 C29 152.9(8) . . . . ?
C100 Ru3 N3 C29 58.8(10) . . . . ?
C99 Ru3 N3 C29 89.3(10) . . . . ?
C101 Ru3 N3 C29 49.7(14) . . . . ?
C102 Ru3 N3 C29 152(2) . . . . ?
C104 Ru3 N3 C29 125.8(9) . . . . ?
O22 Ru4 N4 C40 -117.9(8) . . . . ?
O11 Ru4 N4 C40 -40.7(8) 2_666 . . . ?
C110 Ru4 N4 C40 49.7(10) . . . . ?
C114 Ru4 N4 C40 113.5(9) . . . . ?
C113 Ru4 N4 C40 142.9(9) . . . . ?
C109 Ru4 N4 C40 75.4(9) . . . . ?
C111 Ru4 N4 C40 56.1(17) . . . . ?
C112 Ru4 N4 C40 154.9(9) . . . . ?
O22 Ru4 N4 C36 62.5(8) . . . . ?
O11 Ru4 N4 C36 139.7(8) 2_666 . . . ?
C110 Ru4 N4 C36 -129.9(8) . . . . ?
C114 Ru4 N4 C36 -66.1(8) . . . . ?
C113 Ru4 N4 C36 -36.6(9) . . . . ?
C109 Ru4 N4 C36 -104.1(8) . . . . ?
C111 Ru4 N4 C36 -123.4(15) . . . . ?
C112 Ru4 N4 C36 -24.6(13) . . . . ?
C11 C1 C2 C44 -2.1(18) . . . . ?
C22 C1 C2 C44 178.5(10) . . . . ?
C11 C1 C2 C33 174.4(10) . . . . ?
C22 C1 C2 C33 -5.0(18) . . . . ?
C7 N1 C3 C4 5.5(15) . . . . ?
Ru1 N1 C3 C4 -177.5(8) . . . . ?
N1 C3 C4 C5 -2.6(16) . . . . ?
C3 C4 C5 C6 0.4(15) . . . . ?
C3 C4 C5 C8 176.3(9) . . . . ?
C4 C5 C6 C7 -1.4(16) . . . . ?
C8 C5 C6 C7 -177.2(10) . . . . ?
C3 N1 C7 C6 -6.4(16) . . . . ?
Ru1 N1 C7 C6 176.8(8) . . . . ?
C5 C6 C7 N1 4.6(17) . . . . ?
C6 C5 C8 C9 -144.6(11) . . . . ?
C4 C5 C8 C9 39.6(15) . . . . ?
C6 C5 C8 C13 40.9(15) . . . . ?
C4 C5 C8 C13 -134.9(11) . . . . ?
C13 C8 C9 C10 -2.0(17) . . . . ?
C5 C8 C9 C10 -176.7(10) . . . . ?
C8 C9 C10 C11 2.1(17) . . . . ?
C9 C10 C11 C12 -1.9(15) . . . . ?
C9 C10 C11 C1 177.3(10) . . . . ?
C2 C1 C11 C12 -54.0(16) . . . . ?
C22 C1 C11 C12 125.4(11) . . . . ?
C2 C1 C11 C10 126.9(12) . . . . ?
C22 C1 C11 C10 -53.7(14) . . . . ?
C10 C11 C12 C13 1.7(15) . . . . ?
C1 C11 C12 C13 -177.4(9) . . . . ?
C9 C8 C13 C12 1.8(15) . . . . ?
C5 C8 C13 C12 176.4(9) . . . . ?
C11 C12 C13 C8 -1.7(15) . . . . ?
C18 N2 C14 C15 0.3(19) . . . . ?
Ru2 N2 C14 C15 -179.0(10) . . . . ?
N2 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C17 -3.8(18) . . . . ?
C14 C15 C16 C19 174.8(11) . . . . ?
C15 C16 C17 C18 3(2) . . . . ?
C19 C16 C17 C18 -176.0(12) . . . . ?
C14 N2 C18 C17 -1.7(19) . . . . ?
Ru2 N2 C18 C17 177.6(10) . . . . ?
C16 C17 C18 N2 0(2) . . . . ?
C17 C16 C19 C24 33.6(17) . . . . ?
C15 C16 C19 C24 -144.9(12) . . . . ?
C17 C16 C19 C20 -143.5(13) . . . . ?
C15 C16 C19 C20 38.0(17) . . . . ?
C24 C19 C20 C21 5.0(17) . . . . ?
C16 C19 C20 C21 -177.9(10) . . . . ?
C19 C20 C21 C22 -3.0(18) . . . . ?
C20 C21 C22 C23 -0.6(17) . . . . ?
C20 C21 C22 C1 -179.2(11) . . . . ?
C2 C1 C22 C21 -52.3(17) . . . . ?
C11 C1 C22 C21 128.3(12) . . . . ?
C2 C1 C22 C23 129.1(12) . . . . ?
C11 C1 C22 C23 -50.4(13) . . . . ?
C21 C22 C23 C24 2.4(16) . . . . ?
C1 C22 C23 C24 -179.0(10) . . . . ?
C20 C19 C24 C23 -3.3(16) . . . . ?
C16 C19 C24 C23 179.6(10) . . . . ?
C22 C23 C24 C19 -0.4(16) . . . . ?
C29 N3 C25 C26 2.6(17) . . . . ?
Ru3 N3 C25 C26 179.6(9) . . . . ?
N3 C25 C26 C27 -4.0(18) . . . . ?
C25 C26 C27 C28 3.6(16) . . . . ?
C25 C26 C27 C30 177.8(10) . . . . ?
C26 C27 C28 C29 -2.0(16) . . . . ?
C30 C27 C28 C29 -176.1(10) . . . . ?
C25 N3 C29 C28 -0.8(15) . . . . ?
Ru3 N3 C29 C28 -177.9(8) . . . . ?
C27 C28 C29 N3 0.7(16) . . . . ?
C28 C27 C30 C35 34.9(16) . . . . ?
C26 C27 C30 C35 -138.9(11) . . . . ?
C28 C27 C30 C31 -145.3(10) . . . . ?
C26 C27 C30 C31 40.9(15) . . . . ?
C35 C30 C31 C32 0.3(15) . . . . ?
C27 C30 C31 C32 -179.5(9) . . . . ?
C30 C31 C32 C33 2.0(15) . . . . ?
C31 C32 C33 C34 -1.5(15) . . . . ?
C31 C32 C33 C2 173.8(10) . . . . ?
C1 C2 C33 C34 -47.2(16) . . . . ?
C44 C2 C33 C34 129.7(10) . . . . ?
C1 C2 C33 C32 137.8(12) . . . . ?
C44 C2 C33 C32 -45.4(13) . . . . ?
C32 C33 C34 C35 -1.3(15) . . . . ?
C2 C33 C34 C35 -176.5(10) . . . . ?
C31 C30 C35 C34 -3.1(16) . . . . ?
C27 C30 C35 C34 176.7(10) . . . . ?
C33 C34 C35 C30 3.7(16) . . . . ?
C40 N4 C36 C37 0.1(15) . . . . ?
Ru4 N4 C36 C37 179.7(8) . . . . ?
N4 C36 C37 C38 4.0(15) . . . . ?
C36 C37 C38 C39 -4.7(15) . . . . ?
C36 C37 C38 C41 173.3(9) . . . . ?
C37 C38 C39 C40 1.7(15) . . . . ?
C41 C38 C39 C40 -176.4(9) . . . . ?
C36 N4 C40 C39 -3.5(15) . . . . ?
Ru4 N4 C40 C39 177.0(8) . . . . ?
C38 C39 C40 N4 2.6(16) . . . . ?
C39 C38 C41 C42 -143.7(11) . . . . ?
C37 C38 C41 C42 38.3(15) . . . . ?
C39 C38 C41 C46 37.0(14) . . . . ?
C37 C38 C41 C46 -141.1(10) . . . . ?
C46 C41 C42 C43 0.2(15) . . . . ?
C38 C41 C42 C43 -179.2(10) . . . . ?
C41 C42 C43 C44 0.9(16) . . . . ?
C42 C43 C44 C45 -1.0(15) . . . . ?
C42 C43 C44 C2 177.4(10) . . . . ?
C1 C2 C44 C43 -44.5(17) . . . . ?
C33 C2 C44 C43 138.6(10) . . . . ?
C1 C2 C44 C45 134.0(11) . . . . ?
C33 C2 C44 C45 -42.9(13) . . . . ?
C43 C44 C45 C46 0.2(15) . . . . ?
C2 C44 C45 C46 -178.3(9) . . . . ?
C44 C45 C46 C41 0.9(15) . . . . ?
C42 C41 C46 C45 -1.0(15) . . . . ?
C38 C41 C46 C45 178.4(9) . . . . ?
Ru1 O1 C47 O2 -2.7(19) . . . . ?
Ru1 O1 C47 C48 177.8(7) . . . . ?
C51 O3 C48 C49 -3.3(14) . . . . ?
C51 O3 C48 C47 179.6(10) . . . . ?
O2 C47 C48 C49 8(2) . . . . ?
O1 C47 C48 C49 -172.5(15) . . . . ?
O2 C47 C48 O3 -175.8(11) . . . . ?
O1 C47 C48 O3 3.7(16) . . . . ?
O3 C48 C49 O6 -179.2(16) . . . . ?
C47 C48 C49 O6 -3(3) . . . . ?
O3 C48 C49 C50 2.5(17) . . . . ?
C47 C48 C49 C50 179.1(14) . . . . ?
C53 O6 C49 C48 80(2) . . . . ?
C53 O6 C49 C50 -102(2) . . . . ?
C54 O7 C50 C51 -91(4) . . . . ?
C54 O7 C50 C49 94(4) . . . . ?
C48 C49 C50 O7 174.9(16) . . . . ?
O6 C49 C50 O7 -3(3) . . . . ?
C48 C49 C50 C51 -0.8(18) . . . . ?
O6 C49 C50 C51 -179.1(17) . . . . ?
C48 O3 C51 C50 2.8(13) . . . . ?
C48 O3 C51 C52 -176.1(10) . . . . ?
O7 C50 C51 O3 -177.2(14) . . . . ?
C49 C50 C51 O3 -1.2(15) . . . . ?
O7 C50 C51 C52 1(2) . . . . ?
C49 C50 C51 C52 177.4(13) . . . . ?
Ru3 O4 C52 O5 -11.3(14) 2_666 . . . ?
Ru3 O4 C52 C51 167.3(6) 2_666 . . . ?
O3 C51 C52 O4 -8.8(14) . . . . ?
C50 C51 C52 O4 172.6(13) . . . . ?
O3 C51 C52 O5 169.9(9) . . . . ?
C50 C51 C52 O5 -8.7(19) . . . . ?
Ru2 O8 C55 O9 -4(2) . . . . ?
Ru2 O8 C55 C56 168.2(9) . . . . ?
C59 O10 C56 C57 4.4(15) . . . . ?
C59 O10 C56 C55 -178.3(12) . . . . ?
O8 C55 C56 C57 171.5(16) . . . . ?
O9 C55 C56 C57 -15(3) . . . . ?
O8 C55 C56 O10 -5(2) . . . . ?
O9 C55 C56 O10 168.3(13) . . . . ?
O10 C56 C57 C58 -2.0(17) . . . . ?
C55 C56 C57 C58 -178.6(16) . . . . ?
O10 C56 C57 O13 176.0(14) . . . . ?
C55 C56 C57 O13 -1(3) . . . . ?
C61 O13 C57 C56 167(4) . . . . ?
C61 O13 C57 C58 -16(4) . . . . ?
C56 C57 C58 C59 -0.9(17) . . . . ?
O13 C57 C58 C59 -178.9(15) . . . . ?
C56 C57 C58 O14 178.7(15) . . . . ?
O13 C57 C58 O14 1(3) . . . . ?
C62 O14 C58 C57 -105(3) . . . . ?
C62 O14 C58 C59 75(3) . . . . ?
C56 O10 C59 C58 -4.8(14) . . . . ?
C56 O10 C59 C60 176.7(10) . . . . ?
C57 C58 C59 O10 3.6(16) . . . . ?
O14 C58 C59 O10 -176.1(12) . . . . ?
C57 C58 C59 C60 -178.3(13) . . . . ?
O14 C58 C59 C60 2(2) . . . . ?
Ru4 O11 C60 O12 11.8(16) 2_666 . . . ?
Ru4 O11 C60 C59 -169.7(7) 2_666 . . . ?
O10 C59 C60 O11 1.2(16) . . . . ?
C58 C59 C60 O11 -176.7(13) . . . . ?
O10 C59 C60 O12 179.8(10) . . . . ?
C58 C59 C60 O12 2(2) . . . . ?
Ru3 O15 C63 O16 -22.1(14) . . . . ?
Ru3 O15 C63 C64 155.7(7) . . . . ?
C67 O17 C64 C65 -1.5(12) . . . . ?
C67 O17 C64 C63 -178.4(8) . . . . ?
O16 C63 C64 O17 176.7(9) . . . . ?
O15 C63 C64 O17 -1.2(13) . . . . ?
O16 C63 C64 C65 0.7(19) . . . . ?
O15 C63 C64 C65 -177.2(11) . . . . ?
C69 O20 C65 C64 -114(2) . . . . ?
C69 O20 C65 C66 67(2) . . . . ?
O17 C64 C65 O20 -178.4(12) . . . . ?
C63 C64 C65 O20 -2(2) . . . . ?
O17 C64 C65 C66 0.6(13) . . . . ?
C63 C64 C65 C66 176.9(11) . . . . ?
O20 C65 C66 C67 179.5(12) . . . . ?
C64 C65 C66 C67 0.5(13) . . . . ?
O20 C65 C66 O21 -3(2) . . . . ?
C64 C65 C66 O21 177.7(11) . . . . ?
C70 O21 C66 C67 -82.8(19) . . . . ?
C70 O21 C66 C65 100.5(18) . . . . ?
C64 O17 C67 C66 1.8(11) . . . . ?
C64 O17 C67 C68 179.2(9) . . . . ?
C65 C66 C67 O17 -1.4(12) . . . . ?
O21 C66 C67 O17 -178.7(10) . . . . ?
C65 C66 C67 C68 -178.3(11) . . . . ?
O21 C66 C67 C68 4.4(19) . . . . ?
Ru1 O18 C68 O19 7.2(16) 2_666 . . . ?
Ru1 O18 C68 C67 -175.1(6) 2_666 . . . ?
O17 C67 C68 O19 177.9(9) . . . . ?
C66 C67 C68 O19 -5.4(17) . . . . ?
O17 C67 C68 O18 0.1(13) . . . . ?
C66 C67 C68 O18 176.7(11) . . . . ?
Ru4 O22 C71 O23 2.6(15) . . . . ?
Ru4 O22 C71 C72 -178.8(6) . . . . ?
C75 O24 C72 C73 1.3(10) . . . . ?
C75 O24 C72 C71 179.3(8) . . . . ?
O23 C71 C72 C73 -1.9(17) . . . . ?
O22 C71 C72 C73 179.4(11) . . . . ?
O23 C71 C72 O24 -179.2(9) . . . . ?
O22 C71 C72 O24 2.1(12) . . . . ?
O24 C72 C73 O27 -176.4(10) . . . . ?
C71 C72 C73 O27 6.1(19) . . . . ?
O24 C72 C73 C74 -2.1(11) . . . . ?
C71 C72 C73 C74 -179.6(10) . . . . ?
C77 O27 C73 C72 -71.5(17) . . . . ?
C77 O27 C73 C74 115.4(16) . . . . ?
C78 O28 C74 C75 77.4(18) . . . . ?
C78 O28 C74 C73 -102.7(15) . . . . ?
C72 C73 C74 C75 2.3(13) . . . . ?
O27 C73 C74 C75 176.5(10) . . . . ?
C72 C73 C74 O28 -177.7(10) . . . . ?
O27 C73 C74 O28 -3.4(18) . . . . ?
O28 C74 C75 O24 178.4(10) . . . . ?
C73 C74 C75 O24 -1.5(13) . . . . ?
O28 C74 C75 C76 0(2) . . . . ?
C73 C74 C75 C76 179.6(12) . . . . ?
C72 O24 C75 C74 0.2(11) . . . . ?
C72 O24 C75 C76 179.2(9) . . . . ?
Ru2 O25 C76 O26 -9.4(18) 2_666 . . . ?
Ru2 O25 C76 C75 171.8(7) 2_666 . . . ?
C74 C75 C76 O26 -6(2) . . . . ?
O24 C75 C76 O26 174.9(10) . . . . ?
C74 C75 C76 O25 172.6(12) . . . . ?
O24 C75 C76 O25 -6.2(15) . . . . ?
O1 Ru1 C79 C80 38.0(5) . . . . ?
O18 Ru1 C79 C80 -162.9(6) 2_666 . . . ?
N1 Ru1 C79 C80 117.7(4) . . . . ?
C83 Ru1 C79 C80 -103.0(2) . . . . ?
C82 Ru1 C79 C80 -65.7(2) . . . . ?
C84 Ru1 C79 C80 -132.42(17) . . . . ?
C81 Ru1 C79 C80 -28.81(13) . . . . ?
O1 Ru1 C79 C84 170.4(6) . . . . ?
O18 Ru1 C79 C84 -30.5(6) 2_666 . . . ?
N1 Ru1 C79 C84 -109.9(5) . . . . ?
C83 Ru1 C79 C84 29.43(14) . . . . ?
C82 Ru1 C79 C84 66.8(2) . . . . ?
C81 Ru1 C79 C84 103.6(2) . . . . ?
C80 Ru1 C79 C84 132.42(17) . . . . ?
O1 Ru1 C79 C85 -88(2) . . . . ?
O18 Ru1 C79 C85 71(2) 2_666 . . . ?
N1 Ru1 C79 C85 -9(2) . . . . ?
C83 Ru1 C79 C85 131(2) . . . . ?
C82 Ru1 C79 C85 168(2) . . . . ?
C84 Ru1 C79 C85 101(2) . . . . ?
C81 Ru1 C79 C85 -155(2) . . . . ?
C80 Ru1 C79 C85 -126(2) . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C85 C79 C80 C81 177.0(13) . . . . ?
Ru1 C79 C80 C81 53.4(3) . . . . ?
C84 C79 C80 Ru1 -53.4(3) . . . . ?
C85 C79 C80 Ru1 123.5(12) . . . . ?
O1 Ru1 C80 C81 73.3(4) . . . . ?
O18 Ru1 C80 C81 -20(2) 2_666 . . . ?
N1 Ru1 C80 C81 159.7(4) . . . . ?
C83 Ru1 C80 C81 -66.3(3) . . . . ?
C82 Ru1 C80 C81 -29.10(13) . . . . ?
C84 Ru1 C80 C81 -103.6(2) . . . . ?
C79 Ru1 C80 C81 -132.63(16) . . . . ?
O1 Ru1 C80 C79 -154.1(4) . . . . ?
O18 Ru1 C80 C79 113(2) 2_666 . . . ?
N1 Ru1 C80 C79 -67.7(4) . . . . ?
C83 Ru1 C80 C79 66.3(2) . . . . ?
C82 Ru1 C80 C79 103.5(2) . . . . ?
C84 Ru1 C80 C79 29.07(14) . . . . ?
C81 Ru1 C80 C79 132.63(16) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
Ru1 C80 C81 C82 53.5(3) . . . . ?
C79 C80 C81 Ru1 -53.5(3) . . . . ?
O1 Ru1 C81 C80 -112.0(4) . . . . ?
O18 Ru1 C81 C80 175.3(5) 2_666 . . . ?
N1 Ru1 C81 C80 -31.5(6) . . . . ?
C83 Ru1 C81 C80 102.9(2) . . . . ?
C82 Ru1 C81 C80 132.39(16) . . . . ?
C84 Ru1 C81 C80 65.6(3) . . . . ?
C79 Ru1 C81 C80 28.80(13) . . . . ?
O1 Ru1 C81 C82 115.6(5) . . . . ?
O18 Ru1 C81 C82 42.9(5) 2_666 . . . ?
N1 Ru1 C81 C82 -163.9(6) . . . . ?
C83 Ru1 C81 C82 -29.45(14) . . . . ?
C84 Ru1 C81 C82 -66.8(2) . . . . ?
C79 Ru1 C81 C82 -103.6(2) . . . . ?
C80 Ru1 C81 C82 -132.39(16) . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
Ru1 C81 C82 C83 54.2(3) . . . . ?
C80 C81 C82 C86 164.7(18) . . . . ?
Ru1 C81 C82 C86 -141.1(18) . . . . ?
C80 C81 C82 Ru1 -54.2(3) . . . . ?
O1 Ru1 C82 C83 157.7(5) . . . . ?
O18 Ru1 C82 C83 78.7(4) 2_666 . . . ?
N1 Ru1 C82 C83 -47(2) . . . . ?
C84 Ru1 C82 C83 -29.49(13) . . . . ?
C81 Ru1 C82 C83 -131.95(18) . . . . ?
C79 Ru1 C82 C83 -66.5(2) . . . . ?
C80 Ru1 C82 C83 -103.1(2) . . . . ?
O1 Ru1 C82 C81 -70.4(4) . . . . ?
O18 Ru1 C82 C81 -149.4(4) 2_666 . . . ?
N1 Ru1 C82 C81 85(2) . . . . ?
C83 Ru1 C82 C81 131.95(17) . . . . ?
C84 Ru1 C82 C81 102.5(2) . . . . ?
C79 Ru1 C82 C81 65.4(2) . . . . ?
C80 Ru1 C82 C81 28.88(13) . . . . ?
O1 Ru1 C82 C86 71(2) . . . . ?
O18 Ru1 C82 C86 -8(2) 2_666 . . . ?
N1 Ru1 C82 C86 -134(3) . . . . ?
C83 Ru1 C82 C86 -87(2) . . . . ?
C84 Ru1 C82 C86 -116(2) . . . . ?
C81 Ru1 C82 C86 141(2) . . . . ?
C79 Ru1 C82 C86 -153(2) . . . . ?
C80 Ru1 C82 C86 170(2) . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C86 C82 C83 C84 -169.4(12) . . . . ?
Ru1 C82 C83 C84 54.8(3) . . . . ?
C81 C82 C83 Ru1 -54.8(3) . . . . ?
C86 C82 C83 Ru1 135.7(12) . . . . ?
O1 Ru1 C83 C84 -166.5(7) . . . . ?
O18 Ru1 C83 C84 121.7(4) 2_666 . . . ?
N1 Ru1 C83 C84 37.7(5) . . . . ?
C82 Ru1 C83 C84 -131.75(18) . . . . ?
C81 Ru1 C83 C84 -102.5(2) . . . . ?
C79 Ru1 C83 C84 -29.20(13) . . . . ?
C80 Ru1 C83 C84 -65.9(2) . . . . ?
O1 Ru1 C83 C82 -34.8(6) . . . . ?
O18 Ru1 C83 C82 -106.6(4) 2_666 . . . ?
N1 Ru1 C83 C82 169.4(6) . . . . ?
C84 Ru1 C83 C82 131.75(18) . . . . ?
C81 Ru1 C83 C82 29.23(13) . . . . ?
C79 Ru1 C83 C82 102.6(2) . . . . ?
C80 Ru1 C83 C82 65.9(2) . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
Ru1 C83 C84 C79 54.8(3) . . . . ?
C82 C83 C84 Ru1 -54.8(3) . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C85 C79 C84 C83 -177.5(11) . . . . ?
Ru1 C79 C84 C83 -54.1(3) . . . . ?
C80 C79 C84 Ru1 54.1(3) . . . . ?
C85 C79 C84 Ru1 -123.4(10) . . . . ?
O1 Ru1 C84 C83 82(3) . . . . ?
O18 Ru1 C84 C83 -65.8(4) 2_666 . . . ?
N1 Ru1 C84 C83 -153.7(4) . . . . ?
C82 Ru1 C84 C83 29.50(14) . . . . ?
C81 Ru1 C84 C83 66.6(2) . . . . ?
C79 Ru1 C84 C83 131.98(17) . . . . ?
C80 Ru1 C84 C83 103.1(2) . . . . ?
O1 Ru1 C84 C79 -50(3) . . . . ?
O18 Ru1 C84 C79 162.2(4) 2_666 . . . ?
N1 Ru1 C84 C79 74.3(4) . . . . ?
C83 Ru1 C84 C79 -131.98(17) . . . . ?
C82 Ru1 C84 C79 -102.5(2) . . . . ?
C81 Ru1 C84 C79 -65.4(3) . . . . ?
C80 Ru1 C84 C79 -28.86(13) . . . . ?
C83 C82 C86 C88 -144.4(16) . . . . ?
C81 C82 C86 C88 49(2) . . . . ?
Ru1 C82 C86 C88 -70(3) . . . . ?
C83 C82 C86 C87 98(2) . . . . ?
C81 C82 C86 C87 -68(3) . . . . ?
Ru1 C82 C86 C87 172.3(15) . . . . ?
O25 Ru2 C89 C90 148.5(6) 2_666 . . . ?
O8 Ru2 C89 C90 70.9(6) . . . . ?
N2 Ru2 C89 C90 -91(3) . . . . ?
C94 Ru2 C89 C90 -132.1(16) . . . . ?
C93 Ru2 C89 C90 -102.8(3) . . . . ?
C92 Ru2 C89 C90 -65.7(4) . . . . ?
C91 Ru2 C89 C90 -28.96(19) . . . . ?
O25 Ru2 C89 C94 -79.4(6) 2_666 . . . ?
O8 Ru2 C89 C94 -156.9(7) . . . . ?
N2 Ru2 C89 C94 41(3) . . . . ?
C93 Ru2 C89 C94 29.4(2) . . . . ?
C92 Ru2 C89 C94 66.4(3) . . . . ?
C90 Ru2 C89 C94 132.1(16) . . . . ?
C91 Ru2 C89 C94 103.2(3) . . . . ?
O25 Ru2 C89 C95 37(3) 2_666 . . . ?
O8 Ru2 C89 C95 -40(3) . . . . ?
N2 Ru2 C89 C95 157(3) . . . . ?
C94 Ru2 C89 C95 117(3) . . . . ?
C93 Ru2 C89 C95 146(3) . . . . ?
C92 Ru2 C89 C95 -177(3) . . . . ?
C90 Ru2 C89 C95 -111(3) . . . . ?
C91 Ru2 C89 C95 -140(3) . . . . ?
C94 C89 C90 C91 0.0 . . . . ?
C95 C89 C90 C91 176.6(12) . . . . ?
Ru2 C89 C90 C91 54.0(4) . . . . ?
C94 C89 C90 Ru2 -54.0(4) . . . . ?
C95 C89 C90 Ru2 122.5(12) . . . . ?
O25 Ru2 C90 C91 -175.2(8) 2_666 . . . ?
O8 Ru2 C90 C91 113.8(7) . . . . ?
N2 Ru2 C90 C91 28.3(10) . . . . ?
C94 Ru2 C90 C91 -103.1(3) . . . . ?
C93 Ru2 C90 C91 -65.9(3) . . . . ?
C89 Ru2 C90 C91 -132.4(2) . . . . ?
C92 Ru2 C90 C91 -28.98(19) . . . . ?
O25 Ru2 C90 C89 -42.9(7) 2_666 . . . ?
O8 Ru2 C90 C89 -113.8(7) . . . . ?
N2 Ru2 C90 C89 160.7(10) . . . . ?
C94 Ru2 C90 C89 29.27(17) . . . . ?
C93 Ru2 C90 C89 66.4(4) . . . . ?
C92 Ru2 C90 C89 103.4(4) . . . . ?
C91 Ru2 C90 C89 132.4(2) . . . . ?
C89 C90 C91 C92 0.0 . . . . ?
Ru2 C90 C91 C92 53.7(5) . . . . ?
C89 C90 C91 Ru2 -53.7(5) . . . . ?
O25 Ru2 C91 C90 17(3) 2_666 . . . ?
O8 Ru2 C91 C90 -70.9(6) . . . . ?
N2 Ru2 C91 C90 -162.0(7) . . . . ?
C94 Ru2 C91 C90 66.1(3) . . . . ?
C93 Ru2 C91 C90 103.3(3) . . . . ?
C89 Ru2 C91 C90 29.06(16) . . . . ?
C92 Ru2 C91 C90 132.4(3) . . . . ?
O25 Ru2 C91 C92 -115(3) 2_666 . . . ?
O8 Ru2 C91 C92 156.7(7) . . . . ?
N2 Ru2 C91 C92 65.6(7) . . . . ?
C94 Ru2 C91 C92 -66.3(3) . . . . ?
C93 Ru2 C91 C92 -29.16(15) . . . . ?
C89 Ru2 C91 C92 -103.4(4) . . . . ?
C90 Ru2 C91 C92 -132.4(3) . . . . ?
C90 C91 C92 C93 0.0 . . . . ?
Ru2 C91 C92 C93 53.8(4) . . . . ?
C90 C91 C92 C96 172.8(18) . . . . ?
Ru2 C91 C92 C96 -133.4(18) . . . . ?
C90 C91 C92 Ru2 -53.8(4) . . . . ?
O25 Ru2 C92 C91 159.8(8) 2_666 . . . ?
O8 Ru2 C92 C91 -34.6(8) . . . . ?
N2 Ru2 C92 C91 -119.4(7) . . . . ?
C94 Ru2 C92 C91 102.9(3) . . . . ?
C93 Ru2 C92 C91 132.3(2) . . . . ?
C89 Ru2 C92 C91 65.8(3) . . . . ?
C90 Ru2 C92 C91 28.9(2) . . . . ?
O25 Ru2 C92 C93 27.5(8) 2_666 . . . ?
O8 Ru2 C92 C93 -166.8(8) . . . . ?
N2 Ru2 C92 C93 108.4(7) . . . . ?
C94 Ru2 C92 C93 -29.34(19) . . . . ?
C89 Ru2 C92 C93 -66.5(4) . . . . ?
C90 Ru2 C92 C93 -103.3(3) . . . . ?
C91 Ru2 C92 C93 -132.3(2) . . . . ?
O25 Ru2 C92 C96 -58(3) 2_666 . . . ?
O8 Ru2 C92 C96 107(2) . . . . ?
N2 Ru2 C92 C96 23(2) . . . . ?
C94 Ru2 C92 C96 -115(3) . . . . ?
C93 Ru2 C92 C96 -86(3) . . . . ?
C89 Ru2 C92 C96 -152(3) . . . . ?
C90 Ru2 C92 C96 171(3) . . . . ?
C91 Ru2 C92 C96 142(3) . . . . ?
C91 C92 C93 C94 0.0 . . . . ?
C96 C92 C93 C94 -175.3(11) . . . . ?
Ru2 C92 C93 C94 54.2(3) . . . . ?
C91 C92 C93 Ru2 -54.2(3) . . . . ?
C96 C92 C93 Ru2 130.4(11) . . . . ?
O25 Ru2 C93 C94 63.9(5) 2_666 . . . ?
O8 Ru2 C93 C94 -68(5) . . . . ?
N2 Ru2 C93 C94 153.0(6) . . . . ?
C89 Ru2 C93 C94 -29.32(18) . . . . ?
C92 Ru2 C93 C94 -132.0(2) . . . . ?
C90 Ru2 C93 C94 -66.3(3) . . . . ?
C91 Ru2 C93 C94 -103.0(3) . . . . ?
O25 Ru2 C93 C92 -164.1(5) 2_666 . . . ?
O8 Ru2 C93 C92 64(5) . . . . ?
N2 Ru2 C93 C92 -74.9(6) . . . . ?
C94 Ru2 C93 C92 132.0(2) . . . . ?
C89 Ru2 C93 C92 102.7(3) . . . . ?
C90 Ru2 C93 C92 65.8(3) . . . . ?
C91 Ru2 C93 C92 29.03(17) . . . . ?
C92 C93 C94 C89 0.0 . . . . ?
Ru2 C93 C94 C89 54.6(4) . . . . ?
C92 C93 C94 Ru2 -54.6(4) . . . . ?
C90 C89 C94 C93 0.0 . . . . ?
C95 C89 C94 C93 -176.4(13) . . . . ?
Ru2 C89 C94 C93 -54.5(4) . . . . ?
C90 C89 C94 Ru2 54.5(4) . . . . ?
C95 C89 C94 Ru2 -121.9(13) . . . . ?
O25 Ru2 C94 C93 -123.1(6) 2_666 . . . ?
O8 Ru2 C94 C93 166.4(8) . . . . ?
N2 Ru2 C94 C93 -37.5(6) . . . . ?
C89 Ru2 C94 C93 132.0(2) . . . . ?
C92 Ru2 C94 C93 29.23(16) . . . . ?
C90 Ru2 C94 C93 102.8(3) . . . . ?
C91 Ru2 C94 C93 66.1(3) . . . . ?
O25 Ru2 C94 C89 104.9(6) 2_666 . . . ?
O8 Ru2 C94 C89 34.4(8) . . . . ?
N2 Ru2 C94 C89 -169.4(7) . . . . ?
C93 Ru2 C94 C89 -132.0(2) . . . . ?
C92 Ru2 C94 C89 -102.7(3) . . . . ?
C90 Ru2 C94 C89 -29.14(15) . . . . ?
C91 Ru2 C94 C89 -65.9(3) . . . . ?
C91 C92 C96 C97 18(2) . . . . ?
C93 C92 C96 C97 -168.8(13) . . . . ?
Ru2 C92 C96 C97 -96(2) . . . . ?
C91 C92 C96 C98 -89(3) . . . . ?
C93 C92 C96 C98 84(3) . . . . ?
Ru2 C92 C96 C98 157(3) . . . . ?
O15 Ru3 C99 C100 -43.9(13) . . . . ?
O4 Ru3 C99 C100 150.2(11) 2_666 . . . ?
N3 Ru3 C99 C100 -129.2(11) . . . . ?
C103 Ru3 C99 C100 104.9(12) . . . . ?
C101 Ru3 C99 C100 30.5(10) . . . . ?
C102 Ru3 C99 C100 66.0(11) . . . . ?
C104 Ru3 C99 C100 132.7(16) . . . . ?
O15 Ru3 C99 C104 -176.6(7) . . . . ?
O4 Ru3 C99 C104 17.6(19) 2_666 . . . ?
N3 Ru3 C99 C104 98.2(10) . . . . ?
C103 Ru3 C99 C104 -27.8(9) . . . . ?
C100 Ru3 C99 C104 -132.7(16) . . . . ?
C101 Ru3 C99 C104 -102.2(11) . . . . ?
C102 Ru3 C99 C104 -66.7(10) . . . . ?
O15 Ru3 C99 C105 78(2) . . . . ?
O4 Ru3 C99 C105 -87.7(18) 2_666 . . . ?
N3 Ru3 C99 C105 -7.1(17) . . . . ?
C103 Ru3 C99 C105 -133.1(19) . . . . ?
C100 Ru3 C99 C105 122(2) . . . . ?
C101 Ru3 C99 C105 153(2) . . . . ?
C102 Ru3 C99 C105 -172.0(18) . . . . ?
C104 Ru3 C99 C105 -105(2) . . . . ?
C104 C99 C100 C101 -2(3) . . . . ?
C105 C99 C100 C101 -170.9(15) . . . . ?
Ru3 C99 C100 C101 -56.6(15) . . . . ?
C104 C99 C100 Ru3 55.0(14) . . . . ?
C105 C99 C100 Ru3 -114.2(17) . . . . ?
O15 Ru3 C100 C99 147.3(10) . . . . ?
O4 Ru3 C100 C99 -133.1(18) 2_666 . . . ?
N3 Ru3 C100 C99 57.3(11) . . . . ?
C103 Ru3 C100 C99 -65.0(10) . . . . ?
C101 Ru3 C100 C99 -130.2(15) . . . . ?
C102 Ru3 C100 C99 -104.6(11) . . . . ?
C104 Ru3 C100 C99 -28.6(9) . . . . ?
O15 Ru3 C100 C101 -82.6(10) . . . . ?
O4 Ru3 C100 C101 -3(2) 2_666 . . . ?
N3 Ru3 C100 C101 -172.6(9) . . . . ?
C103 Ru3 C100 C101 65.1(10) . . . . ?
C99 Ru3 C100 C101 130.2(15) . . . . ?
C102 Ru3 C100 C101 25.6(10) . . . . ?
C104 Ru3 C100 C101 101.5(11) . . . . ?
C99 C100 C101 C102 7(3) . . . . ?
Ru3 C100 C101 C102 -49.6(16) . . . . ?
C99 C100 C101 Ru3 56.6(14) . . . . ?
O15 Ru3 C101 C102 -119.7(11) . . . . ?
O4 Ru3 C101 C102 -43.0(13) 2_666 . . . ?
N3 Ru3 C101 C102 151.9(10) . . . . ?
C103 Ru3 C101 C102 33.5(11) . . . . ?
C100 Ru3 C101 C102 138.2(18) . . . . ?
C99 Ru3 C101 C102 108.0(12) . . . . ?
C104 Ru3 C101 C102 71.4(11) . . . . ?
O15 Ru3 C101 C100 102.1(11) . . . . ?
O4 Ru3 C101 C100 178.9(10) 2_666 . . . ?
N3 Ru3 C101 C100 13.7(17) . . . . ?
C103 Ru3 C101 C100 -104.6(12) . . . . ?
C99 Ru3 C101 C100 -30.1(10) . . . . ?
C102 Ru3 C101 C100 -138.2(18) . . . . ?
C104 Ru3 C101 C100 -66.8(11) . . . . ?
C100 C101 C102 C103 -6(2) . . . . ?
Ru3 C101 C102 C103 -54.8(11) . . . . ?
C100 C101 C102 C106 173.6(18) . . . . ?
Ru3 C101 C102 C106 124.5(19) . . . . ?
C100 C101 C102 Ru3 49.2(16) . . . . ?
O15 Ru3 C102 C101 67.7(13) . . . . ?
O4 Ru3 C102 C101 145.5(12) 2_666 . . . ?
N3 Ru3 C102 C101 -126(2) . . . . ?
C103 Ru3 C102 C101 -127.1(17) . . . . ?
C100 Ru3 C102 C101 -25.8(13) . . . . ?
C99 Ru3 C102 C101 -61.9(13) . . . . ?
C104 Ru3 C102 C101 -97.9(13) . . . . ?
O15 Ru3 C102 C103 -165.2(8) . . . . ?
O4 Ru3 C102 C103 -87.4(9) 2_666 . . . ?
N3 Ru3 C102 C103 1(3) . . . . ?
C100 Ru3 C102 C103 101.3(12) . . . . ?
C99 Ru3 C102 C103 65.1(11) . . . . ?
C101 Ru3 C102 C103 127.1(17) . . . . ?
C104 Ru3 C102 C103 29.2(8) . . . . ?
O15 Ru3 C102 C106 -58.3(19) . . . . ?
O4 Ru3 C102 C106 19.5(18) 2_666 . . . ?
N3 Ru3 C102 C106 108(2) . . . . ?
C103 Ru3 C102 C106 107(2) . . . . ?
C100 Ru3 C102 C106 -152(2) . . . . ?
C99 Ru3 C102 C106 172.0(19) . . . . ?
C101 Ru3 C102 C106 -126(2) . . . . ?
C104 Ru3 C102 C106 136.1(19) . . . . ?
C101 C102 C103 C104 -1(2) . . . . ?
C106 C102 C103 C104 -180.0(14) . . . . ?
Ru3 C102 C103 C104 -56.8(11) . . . . ?
C101 C102 C103 Ru3 56.2(12) . . . . ?
C106 C102 C103 Ru3 -123.2(15) . . . . ?
O15 Ru3 C103 C104 158.4(8) . . . . ?
O4 Ru3 C103 C104 -133.6(8) 2_666 . . . ?
N3 Ru3 C103 C104 -48.1(9) . . . . ?
C100 Ru3 C103 C104 63.4(11) . . . . ?
C99 Ru3 C103 C104 27.2(10) . . . . ?
C101 Ru3 C103 C104 100.0(11) . . . . ?
C102 Ru3 C103 C104 131.4(13) . . . . ?
O15 Ru3 C103 C102 27.0(14) . . . . ?
O4 Ru3 C103 C102 95.0(10) 2_666 . . . ?
N3 Ru3 C103 C102 -179.5(10) . . . . ?
C100 Ru3 C103 C102 -68.0(12) . . . . ?
C99 Ru3 C103 C102 -104.2(12) . . . . ?
C101 Ru3 C103 C102 -31.4(12) . . . . ?
C104 Ru3 C103 C102 -131.4(13) . . . . ?
C100 C99 C104 C103 -4(2) . . . . ?
C105 C99 C104 C103 166.4(12) . . . . ?
Ru3 C99 C104 C103 49.7(12) . . . . ?
C100 C99 C104 Ru3 -54.0(14) . . . . ?
C105 C99 C104 Ru3 116.7(12) . . . . ?
C102 C103 C104 C99 5.5(19) . . . . ?
Ru3 C103 C104 C99 -50.3(12) . . . . ?
C102 C103 C104 Ru3 55.8(11) . . . . ?
O15 Ru3 C104 C99 11(2) . . . . ?
O4 Ru3 C104 C99 -171.0(11) 2_666 . . . ?
N3 Ru3 C104 C99 -83.8(11) . . . . ?
C103 Ru3 C104 C99 135.0(14) . . . . ?
C100 Ru3 C104 C99 28.8(12) . . . . ?
C101 Ru3 C104 C99 66.4(12) . . . . ?
C102 Ru3 C104 C99 104.1(13) . . . . ?
O15 Ru3 C104 C103 -123.7(15) . . . . ?
O4 Ru3 C104 C103 54.0(8) 2_666 . . . ?
N3 Ru3 C104 C103 141.3(7) . . . . ?
C100 Ru3 C104 C103 -106.1(10) . . . . ?
C99 Ru3 C104 C103 -135.0(14) . . . . ?
C101 Ru3 C104 C103 -68.6(9) . . . . ?
C102 Ru3 C104 C103 -30.9(9) . . . . ?
C101 C102 C106 C108 95(2) . . . . ?
C103 C102 C106 C108 -86(2) . . . . ?
Ru3 C102 C106 C108 -168.6(17) . . . . ?
C101 C102 C106 C107 -48(3) . . . . ?
C103 C102 C106 C107 131(2) . . . . ?
Ru3 C102 C106 C107 49(3) . . . . ?
O22 Ru4 C109 C114 -7(2) . . . . ?
N4 Ru4 C109 C114 84.8(8) . . . . ?
O11 Ru4 C109 C114 171.6(7) 2_666 . . . ?
C110 Ru4 C109 C114 -129.7(12) . . . . ?
C113 Ru4 C109 C114 -29.3(8) . . . . ?
C111 Ru4 C109 C114 -102.0(9) . . . . ?
C112 Ru4 C109 C114 -64.2(9) . . . . ?
O22 Ru4 C109 C110 123.0(18) . . . . ?
N4 Ru4 C109 C110 -145.6(8) . . . . ?
O11 Ru4 C109 C110 -58.7(9) 2_666 . . . ?
C114 Ru4 C109 C110 129.7(12) . . . . ?
C113 Ru4 C109 C110 100.4(9) . . . . ?
C111 Ru4 C109 C110 27.7(8) . . . . ?
C112 Ru4 C109 C110 65.5(8) . . . . ?
O22 Ru4 C109 C115 -123.0(19) . . . . ?
N4 Ru4 C109 C115 -31.6(13) . . . . ?
O11 Ru4 C109 C115 55.3(14) 2_666 . . . ?
C110 Ru4 C109 C115 114.0(16) . . . . ?
C114 Ru4 C109 C115 -116.4(16) . . . . ?
C113 Ru4 C109 C115 -145.6(15) . . . . ?
C111 Ru4 C109 C115 141.6(14) . . . . ?
C112 Ru4 C109 C115 179.5(14) . . . . ?
C114 C109 C110 C111 -3.1(17) . . . . ?
C115 C109 C110 C111 -177.2(12) . . . . ?
Ru4 C109 C110 C111 -56.7(11) . . . . ?
C114 C109 C110 Ru4 53.6(9) . . . . ?
C115 C109 C110 Ru4 -120.5(11) . . . . ?
O22 Ru4 C110 C111 -26.7(13) . . . . ?
N4 Ru4 C110 C111 176.4(8) . . . . ?
O11 Ru4 C110 C111 -97.3(9) 2_666 . . . ?
C114 Ru4 C110 C111 101.9(10) . . . . ?
C113 Ru4 C110 C111 64.8(10) . . . . ?
C109 Ru4 C110 C111 132.7(13) . . . . ?
C112 Ru4 C110 C111 29.1(10) . . . . ?
O22 Ru4 C110 C109 -159.4(7) . . . . ?
N4 Ru4 C110 C109 43.6(9) . . . . ?
O11 Ru4 C110 C109 129.9(8) 2_666 . . . ?
C114 Ru4 C110 C109 -30.8(8) . . . . ?
C113 Ru4 C110 C109 -67.9(9) . . . . ?
C111 Ru4 C110 C109 -132.7(13) . . . . ?
C112 Ru4 C110 C109 -103.6(9) . . . . ?
C109 C110 C111 C112 2.8(19) . . . . ?
Ru4 C110 C111 C112 -53.0(11) . . . . ?
C109 C110 C111 Ru4 55.8(10) . . . . ?
O22 Ru4 C111 C110 164.5(8) . . . . ?
N4 Ru4 C111 C110 -9(2) . . . . ?
O11 Ru4 C111 C110 85.8(9) 2_666 . . . ?
C114 Ru4 C111 C110 -68.0(10) . . . . ?
C113 Ru4 C111 C110 -104.4(11) . . . . ?
C109 Ru4 C111 C110 -29.9(9) . . . . ?
C112 Ru4 C111 C110 -133.9(14) . . . . ?
O22 Ru4 C111 C112 -61.6(10) . . . . ?
N4 Ru4 C111 C112 124.9(13) . . . . ?
O11 Ru4 C111 C112 -140.2(9) 2_666 . . . ?
C110 Ru4 C111 C112 133.9(14) . . . . ?
C114 Ru4 C111 C112 66.0(10) . . . . ?
C113 Ru4 C111 C112 29.6(9) . . . . ?
C109 Ru4 C111 C112 104.0(10) . . . . ?
C110 C111 C112 C113 -1.7(18) . . . . ?
Ru4 C111 C112 C113 -54.1(10) . . . . ?
C110 C111 C112 C116 179.0(13) . . . . ?
Ru4 C111 C112 C116 126.6(13) . . . . ?
C110 C111 C112 Ru4 52.3(11) . . . . ?
O22 Ru4 C112 C113 -104.4(9) . . . . ?
N4 Ru4 C112 C113 -18.9(14) . . . . ?
O11 Ru4 C112 C113 -179.9(8) 2_666 . . . ?
C110 Ru4 C112 C113 102.5(10) . . . . ?
C114 Ru4 C112 C113 27.1(9) . . . . ?
C109 Ru4 C112 C113 64.4(9) . . . . ?
C111 Ru4 C112 C113 129.6(14) . . . . ?
O22 Ru4 C112 C111 126.0(9) . . . . ?
N4 Ru4 C112 C111 -148.5(9) . . . . ?
O11 Ru4 C112 C111 50.6(10) 2_666 . . . ?
C110 Ru4 C112 C111 -27.0(9) . . . . ?
C114 Ru4 C112 C111 -102.5(10) . . . . ?
C113 Ru4 C112 C111 -129.6(14) . . . . ?
C109 Ru4 C112 C111 -65.2(9) . . . . ?
O22 Ru4 C112 C116 9.7(16) . . . . ?
N4 Ru4 C112 C116 95.2(18) . . . . ?
O11 Ru4 C112 C116 -65.7(16) 2_666 . . . ?
C110 Ru4 C112 C116 -143.3(17) . . . . ?
C114 Ru4 C112 C116 141.2(17) . . . . ?
C113 Ru4 C112 C116 114.1(18) . . . . ?
C109 Ru4 C112 C116 178.5(16) . . . . ?
C111 Ru4 C112 C116 -116(2) . . . . ?
C111 C112 C113 C114 1.2(18) . . . . ?
C116 C112 C113 C114 -179.5(12) . . . . ?
Ru4 C112 C113 C114 -52.6(11) . . . . ?
C111 C112 C113 Ru4 53.7(10) . . . . ?
C116 C112 C113 Ru4 -126.9(12) . . . . ?
O22 Ru4 C113 C112 79.4(9) . . . . ?
N4 Ru4 C113 C112 169.4(8) . . . . ?
O11 Ru4 C113 C112 0.4(19) 2_666 . . . ?
C110 Ru4 C113 C112 -66.8(9) . . . . ?
C114 Ru4 C113 C112 -135.9(13) . . . . ?
C109 Ru4 C113 C112 -105.7(9) . . . . ?
C111 Ru4 C113 C112 -31.6(9) . . . . ?
O22 Ru4 C113 C114 -144.7(7) . . . . ?
N4 Ru4 C113 C114 -54.7(9) . . . . ?
O11 Ru4 C113 C114 136.3(13) 2_666 . . . ?
C110 Ru4 C113 C114 69.1(8) . . . . ?
C109 Ru4 C113 C114 30.2(8) . . . . ?
C111 Ru4 C113 C114 104.3(9) . . . . ?
C112 Ru4 C113 C114 135.9(13) . . . . ?
C112 C113 C114 C109 -1.7(18) . . . . ?
Ru4 C113 C114 C109 -55.5(9) . . . . ?
C112 C113 C114 Ru4 53.8(11) . . . . ?
C110 C109 C114 C113 2.5(16) . . . . ?
C115 C109 C114 C113 176.4(11) . . . . ?
Ru4 C109 C114 C113 55.6(9) . . . . ?
C110 C109 C114 Ru4 -53.2(9) . . . . ?
C115 C109 C114 Ru4 120.8(11) . . . . ?
O22 Ru4 C114 C113 46.7(10) . . . . ?
N4 Ru4 C114 C113 131.8(8) . . . . ?
O11 Ru4 C114 C113 -148.6(9) 2_666 . . . ?
C110 Ru4 C114 C113 -100.1(9) . . . . ?
C109 Ru4 C114 C113 -131.4(12) . . . . ?
C111 Ru4 C114 C113 -64.6(9) . . . . ?
C112 Ru4 C114 C113 -26.4(8) . . . . ?
O22 Ru4 C114 C109 178.1(7) . . . . ?
N4 Ru4 C114 C109 -96.9(8) . . . . ?
O11 Ru4 C114 C109 -17.2(14) 2_666 . . . ?
C110 Ru4 C114 C109 31.2(8) . . . . ?
C113 Ru4 C114 C109 131.4(12) . . . . ?
C111 Ru4 C114 C109 66.7(9) . . . . ?
C112 Ru4 C114 C109 105.0(9) . . . . ?
C113 C112 C116 C117 154.6(18) . . . . ?
C111 C112 C116 C117 -26(2) . . . . ?
Ru4 C112 C116 C117 65(2) . . . . ?
C113 C112 C116 C118 -83(2) . . . . ?
C111 C112 C116 C118 96(2) . . . . ?
Ru4 C112 C116 C118 -173.3(16) . . . . ?
Cl32 C129 Cl33 Cl33 21(2) . . . 2_765 ?
Cl31 C129 Cl33 Cl33 144.4(18) . . . 2_765 ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        22.99
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         2.670
_refine_diff_density_min         -2.953
_refine_diff_density_rms         0.175

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 -0.012 0.004 -0.008 2628 635 ' '
_platon_squeeze_details          
;
;

# Attachment '- complex_4.cif'

data_bk232a
_database_code_depnum_ccdc_archive 'CCDC 847958'
#TrackingRef '- complex_4.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C118 H112 N4 O28 Ru4, 4(C H2 Cl2)'
_chemical_formula_sum            'C122 H120 Cl8 N4 O28 Ru4'
_chemical_formula_weight         2778.10

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'
Cl Cl 0.1484 0.1585 '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   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0083(18)
_cell_length_b                   15.379(4)
_cell_length_c                   20.885(3)
_cell_angle_alpha                85.969(16)
_cell_angle_beta                 78.367(10)
_cell_angle_gamma                87.615(16)
_cell_volume                     3767.0(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    570
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1416
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5120
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            59170
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.13
_diffrn_reflns_theta_max         25.03
_reflns_number_total             13042
_reflns_number_gt                11598
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0001P)^2^+41.4236P] where P=(Fo^2^+2Fc^2^)/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_number_reflns         13042
_refine_ls_number_parameters     828
_refine_ls_number_restraints     392
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0904
_refine_ls_wR_factor_ref         0.1993
_refine_ls_wR_factor_gt          0.1965
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_restrained_S_all      1.209
_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 0.59416(7) 0.32748(4) 0.10873(3) 0.0392(2) Uani 1 1 d . . .
Ru2 Ru 0.69840(5) -0.09457(4) 0.34952(3) 0.02529(16) Uani 1 1 d . . .
O1 O 0.7147(5) 0.2276(3) 0.1220(2) 0.0397(14) Uani 1 1 d . . .
O2 O 0.8632(8) 0.2728(5) 0.0458(4) 0.081(3) Uani 1 1 d . . .
O3 O 0.8358(5) 0.0958(3) 0.1668(3) 0.0378(13) Uani 1 1 d . B .
O4 O 0.7793(4) -0.0218(3) 0.2652(2) 0.0265(11) Uani 1 1 d . . .
O5 O 0.9570(5) -0.0852(4) 0.2487(3) 0.0494(16) Uani 1 1 d . . .
O6 O 1.0714(8) 0.1462(6) 0.0358(4) 0.092(3) Uani 1 1 d . B .
O7 O 1.1033(7) -0.0157(6) 0.1227(5) 0.100(3) Uani 1 1 d DU . .
O8 O 0.5779(4) 0.0025(3) 0.3337(2) 0.0249(10) Uani 1 1 d . . .
O9 O 0.4278(5) -0.0393(5) 0.4122(3) 0.060(2) Uani 1 1 d . . .
O10 O 0.4532(4) 0.1311(3) 0.2867(2) 0.0248(10) Uani 1 1 d . . .
O11 O 0.5139(5) 0.2541(3) 0.1909(2) 0.0322(12) Uani 1 1 d . A .
O12A O 0.3312(14) 0.289(2) 0.1852(17) 0.049(10) Uani 0.46(7) 1 d P A 1
O12B O 0.346(2) 0.323(2) 0.215(2) 0.081(11) Uani 0.54(7) 1 d P A 2
O13 O 0.2010(4) 0.0514(4) 0.3928(3) 0.0388(13) Uani 1 1 d . . .
O14 O 0.1612(6) 0.2003(5) 0.3028(5) 0.077(2) Uani 1 1 d . . .
N1 N 0.6693(5) 0.3891(4) 0.1763(3) 0.0280(13) Uani 1 1 d . C .
N2 N 1.2368(5) 0.9973(4) 0.6028(3) 0.0237(12) Uani 1 1 d . . .
C1 C 0.8178(9) 0.2222(6) 0.0903(4) 0.052(3) Uani 1 1 d . . .
C2 C 0.8857(8) 0.1468(6) 0.1122(4) 0.047(2) Uani 1 1 d . B .
C3 C 0.9904(8) 0.1143(6) 0.0886(5) 0.056(3) Uani 1 1 d . . .
C4 C 1.0128(8) 0.0394(6) 0.1294(5) 0.056(3) Uani 1 1 d . B .
C5 C 0.9157(7) 0.0308(5) 0.1770(4) 0.041(2) Uani 1 1 d . . .
C6 C 0.8822(6) -0.0310(5) 0.2349(4) 0.0341(18) Uani 1 1 d . B .
C7 C 1.0537(13) 0.1265(9) -0.0249(6) 0.095(4) Uani 1 1 d U . .
H7A H 1.0923 0.1687 -0.0585 0.143 Uiso 1 1 calc R B .
H7B H 0.9720 0.1291 -0.0247 0.143 Uiso 1 1 calc R . .
H7C H 1.0842 0.0677 -0.0345 0.143 Uiso 1 1 calc R . .
C8A C 1.2160(13) -0.0032(18) 0.0938(14) 0.098(8) Uani 0.59(2) 1 d PDU B 1
H8A H 1.2644 -0.0448 0.1143 0.148 Uiso 0.59(2) 1 calc PR B 1
H8B H 1.2362 0.0564 0.0997 0.148 Uiso 0.59(2) 1 calc PR B 1
H8C H 1.2275 -0.0122 0.0469 0.148 Uiso 0.59(2) 1 calc PR B 1
C8B C 1.180(2) 0.008(2) 0.1579(16) 0.091(10) Uani 0.41(2) 1 d PDU B 2
H8D H 1.1580 -0.0156 0.2033 0.136 Uiso 0.41(2) 1 calc PR B 2
H8E H 1.1809 0.0719 0.1570 0.136 Uiso 0.41(2) 1 calc PR B 2
H8F H 1.2557 -0.0147 0.1386 0.136 Uiso 0.41(2) 1 calc PR B 2
C9 C 0.4736(6) 0.0062(5) 0.3630(4) 0.0286(16) Uani 1 1 d . . .
C10 C 0.4015(6) 0.0736(5) 0.3354(3) 0.0266(15) Uani 1 1 d . . .
C11 C 0.2853(6) 0.0921(5) 0.3484(4) 0.0315(17) Uani 1 1 d . . .
C12 C 0.2681(7) 0.1641(6) 0.3046(5) 0.043(2) Uani 1 1 d . . .
C13 C 0.3713(6) 0.1875(5) 0.2690(4) 0.0331(17) Uani 1 1 d . A .
C14 C 0.4069(9) 0.2552(6) 0.2155(5) 0.056(3) Uani 1 1 d . . .
C15 C 0.1828(8) -0.0358(6) 0.3770(5) 0.048(2) Uani 1 1 d . . .
H15A H 0.1239 -0.0626 0.4113 0.072 Uiso 1 1 calc R . .
H15B H 0.2538 -0.0705 0.3740 0.072 Uiso 1 1 calc R . .
H15C H 0.1583 -0.0338 0.3349 0.072 Uiso 1 1 calc R . .
C16 C 0.1161(15) 0.1774(13) 0.2442(8) 0.128(6) Uani 1 1 d U . .
H16A H 0.0538 0.2182 0.2379 0.192 Uiso 1 1 calc R . .
H16B H 0.0880 0.1179 0.2513 0.192 Uiso 1 1 calc R . .
H16C H 0.1772 0.1812 0.2052 0.192 Uiso 1 1 calc R . .
C17 C 0.5456(13) 0.4559(6) 0.0685(5) 0.064(3) Uani 1 1 d . . .
C18 C 0.6473(13) 0.4213(7) 0.0274(5) 0.073(4) Uani 1 1 d . . .
H18 H 0.7144 0.4542 0.0164 0.087 Uiso 1 1 calc R . .
C19 C 0.6446(13) 0.3353(7) 0.0035(4) 0.075(4) Uani 1 1 d . . .
H19 H 0.7106 0.3116 -0.0234 0.090 Uiso 1 1 calc R . .
C20 C 0.5441(11) 0.2864(5) 0.0201(5) 0.059(3) Uani 1 1 d . . .
C21 C 0.4490(11) 0.3242(6) 0.0602(5) 0.061(3) Uani 1 1 d . . .
H21 H 0.3808 0.2926 0.0719 0.074 Uiso 1 1 calc R . .
C22 C 0.4517(11) 0.4086(6) 0.0840(5) 0.062(3) Uani 1 1 d . . .
H22 H 0.3856 0.4318 0.1112 0.074 Uiso 1 1 calc R . .
C23 C 0.5519(12) 0.5424(7) 0.0992(6) 0.076(3) Uani 1 1 d U . .
H23A H 0.5097 0.5879 0.0780 0.114 Uiso 1 1 calc R . .
H23B H 0.6316 0.5586 0.0933 0.114 Uiso 1 1 calc R . .
H23C H 0.5185 0.5362 0.1461 0.114 Uiso 1 1 calc R . .
C24 C 0.5435(12) 0.1954(7) -0.0047(5) 0.067(3) Uani 1 1 d U . .
H24 H 0.6179 0.1643 -0.0033 0.080 Uiso 1 1 calc R . .
C25 C 0.5271(13) 0.2081(8) -0.0763(6) 0.082(4) Uani 1 1 d U . .
H25A H 0.5859 0.2462 -0.1016 0.123 Uiso 1 1 calc R . .
H25B H 0.4518 0.2349 -0.0772 0.123 Uiso 1 1 calc R . .
H25C H 0.5331 0.1514 -0.0956 0.123 Uiso 1 1 calc R . .
C26 C 0.4448(12) 0.1403(8) 0.0354(6) 0.080(4) Uani 1 1 d U . .
H26A H 0.4550 0.1304 0.0808 0.120 Uiso 1 1 calc R . .
H26B H 0.4447 0.0841 0.0160 0.120 Uiso 1 1 calc R . .
H26C H 0.3722 0.1716 0.0348 0.120 Uiso 1 1 calc R . .
C27 C 0.7097(11) -0.1878(5) 0.4323(5) 0.057(3) Uani 1 1 d . . .
C28 C 0.5964(10) -0.1836(5) 0.4234(5) 0.053(3) Uani 1 1 d . . .
H28 H 0.5351 -0.1723 0.4587 0.063 Uiso 1 1 calc R . .
C29 C 0.5769(8) -0.1966(5) 0.3606(5) 0.046(2) Uani 1 1 d . . .
H29 H 0.5004 -0.1930 0.3546 0.055 Uiso 1 1 calc R . .
C30 C 0.6624(8) -0.2143(5) 0.3063(4) 0.0367(19) Uani 1 1 d . . .
C31 C 0.7756(8) -0.2173(5) 0.3170(4) 0.040(2) Uani 1 1 d . . .
H31 H 0.8360 -0.2281 0.2812 0.048 Uiso 1 1 calc R . .
C32 C 0.8020(9) -0.2049(5) 0.3780(5) 0.049(2) Uani 1 1 d . . .
H32 H 0.8787 -0.2077 0.3836 0.059 Uiso 1 1 calc R . .
C33 C 0.7328(12) -0.1687(8) 0.4992(5) 0.077(3) Uani 1 1 d U . .
H33A H 0.7154 -0.2200 0.5297 0.116 Uiso 1 1 calc R . .
H33B H 0.6849 -0.1190 0.5161 0.116 Uiso 1 1 calc R . .
H33C H 0.8131 -0.1548 0.4947 0.116 Uiso 1 1 calc R . .
C34 C 0.6296(9) -0.2250(6) 0.2403(5) 0.049(2) Uani 1 1 d U . .
H34 H 0.5674 -0.1814 0.2350 0.059 Uiso 1 1 calc R . .
C35 C 0.5839(12) -0.3179(7) 0.2403(6) 0.077(3) Uani 1 1 d U . .
H35A H 0.5281 -0.3304 0.2808 0.115 Uiso 1 1 calc R . .
H35B H 0.6471 -0.3607 0.2374 0.115 Uiso 1 1 calc R . .
H35C H 0.5474 -0.3211 0.2026 0.115 Uiso 1 1 calc R . .
C36 C 0.7288(13) -0.2105(9) 0.1828(5) 0.090(4) Uani 1 1 d . . .
H36A H 0.7589 -0.1524 0.1836 0.134 Uiso 1 1 calc R . .
H36B H 0.7026 -0.2150 0.1417 0.134 Uiso 1 1 calc R . .
H36C H 0.7888 -0.2548 0.1862 0.134 Uiso 1 1 calc R . .
C37 C 0.7799(7) 0.4096(5) 0.1621(4) 0.0388(19) Uani 1 1 d . . .
H37 H 0.8236 0.3975 0.1203 0.047 Uiso 1 1 calc R . .
C38 C 0.8326(7) 0.4474(5) 0.2059(4) 0.042(2) Uani 1 1 d . C .
H38 H 0.9111 0.4601 0.1940 0.051 Uiso 1 1 calc R . .
C39 C 0.7715(7) 0.4665(5) 0.2667(4) 0.0309(17) Uani 1 1 d . . .
C40 C 0.6564(6) 0.4516(4) 0.2793(4) 0.0266(15) Uani 1 1 d . C .
H40 H 0.6102 0.4683 0.3193 0.032 Uiso 1 1 calc R . .
C41 C 0.6074(7) 0.4122(5) 0.2342(3) 0.0276(16) Uani 1 1 d . . .
H41 H 0.5283 0.4013 0.2445 0.033 Uiso 1 1 calc R C .
C48 C 0.9923(7) 0.5342(5) 0.4797(4) 0.0320(17) Uani 1 1 d . . .
C42A C 0.8419(8) 0.4939(6) 0.3098(4) 0.027(2) Uani 0.50 1 d PGU C 1
C43A C 0.9437(8) 0.4510(6) 0.3161(4) 0.029(2) Uani 0.50 1 d PGU C 1
H43A H 0.9772 0.4098 0.2855 0.034 Uiso 0.50 1 calc PR C 1
C44A C 0.9964(6) 0.4683(6) 0.3670(5) 0.029(2) Uani 0.50 1 d PGU C 1
H44A H 1.0659 0.4390 0.3714 0.035 Uiso 0.50 1 calc PR C 1
C45A C 0.9474(8) 0.5286(6) 0.4117(4) 0.025(2) Uani 0.50 1 d PGU C 1
C46A C 0.8456(7) 0.5716(6) 0.4054(4) 0.026(2) Uani 0.50 1 d PGU C 1
H46A H 0.8121 0.6128 0.4360 0.031 Uiso 0.50 1 calc PR C 1
C47A C 0.7929(6) 0.5542(6) 0.3544(5) 0.026(2) Uani 0.50 1 d PGU C 1
H47A H 0.7233 0.5835 0.3501 0.032 Uiso 0.50 1 calc PR C 1
C49A C 1.0172(8) 0.6281(5) 0.4877(4) 0.026(2) Uani 0.50 1 d PGU C 1
C50A C 1.0991(8) 0.6742(6) 0.4431(3) 0.027(2) Uani 0.50 1 d PGU C 1
H50A H 1.1288 0.6524 0.4015 0.032 Uiso 0.50 1 calc PR C 1
C51A C 1.1375(7) 0.7521(5) 0.4595(4) 0.024(2) Uani 0.50 1 d PGU C 1
H51A H 1.1935 0.7835 0.4291 0.028 Uiso 0.50 1 calc PR C 1
C52A C 1.0940(8) 0.7839(5) 0.5205(4) 0.023(2) Uani 0.50 1 d PGU C 1
C53A C 1.0121(8) 0.7378(6) 0.5651(3) 0.024(2) Uani 0.50 1 d PGU C 1
H53A H 0.9824 0.7596 0.6068 0.029 Uiso 0.50 1 calc PR C 1
C54A C 0.9737(7) 0.6599(6) 0.5487(4) 0.027(2) Uani 0.50 1 d PGU C 1
H54A H 0.9178 0.6284 0.5792 0.033 Uiso 0.50 1 calc PR C 1
C42B C 0.8155(8) 0.5007(7) 0.3288(4) 0.028(2) Uani 0.50 1 d PGU C 2
C43B C 0.7708(6) 0.4665(6) 0.3917(4) 0.027(2) Uani 0.50 1 d PGU C 2
H43B H 0.7037 0.4335 0.3996 0.032 Uiso 0.50 1 calc PR C 2
C44B C 0.8242(7) 0.4807(6) 0.4431(3) 0.025(2) Uani 0.50 1 d PGU C 2
H44B H 0.7937 0.4573 0.4861 0.030 Uiso 0.50 1 calc PR C 2
C45B C 0.9223(7) 0.5290(6) 0.4316(4) 0.019(2) Uani 0.50 1 d PGU C 2
C46B C 0.9670(7) 0.5632(6) 0.3687(4) 0.027(2) Uani 0.50 1 d PGU C 2
H46B H 1.0341 0.5962 0.3608 0.032 Uiso 0.50 1 calc PR C 2
C47B C 0.9136(8) 0.5491(6) 0.3173(3) 0.030(2) Uani 0.50 1 d PGU C 2
H47B H 0.9442 0.5724 0.2743 0.036 Uiso 0.50 1 calc PR C 2
C49B C 1.0364(7) 0.6231(5) 0.4928(5) 0.022(2) Uani 0.50 1 d PGU C 2
C50B C 0.9627(6) 0.6948(6) 0.5050(5) 0.025(2) Uani 0.50 1 d PGU C 2
H50B H 0.8851 0.6908 0.5023 0.030 Uiso 0.50 1 calc PR C 2
C51B C 1.0025(7) 0.7722(5) 0.5213(5) 0.023(2) Uani 0.50 1 d PGU C 2
H51B H 0.9522 0.8212 0.5297 0.028 Uiso 0.50 1 calc PR C 2
C52B C 1.1161(7) 0.7779(5) 0.5253(5) 0.018(2) Uani 0.50 1 d PGU C 2
C53B C 1.1899(5) 0.7062(6) 0.5130(5) 0.025(2) Uani 0.50 1 d PGU C 2
H53B H 1.2675 0.7101 0.5158 0.030 Uiso 0.50 1 calc PR C 2
C54B C 1.1500(7) 0.6288(5) 0.4968(5) 0.027(2) Uani 0.50 1 d PGU C 2
H54B H 1.2004 0.5798 0.4884 0.033 Uiso 0.50 1 calc PR C 2
C55 C 1.1502(6) 0.8597(4) 0.5474(3) 0.0250(15) Uani 1 1 d . . .
C56 C 1.2641(6) 0.8817(5) 0.5291(3) 0.0269(15) Uani 1 1 d . C .
H56 H 1.3142 0.8501 0.4972 0.032 Uiso 1 1 calc R . .
C57 C 1.3046(6) 0.9498(4) 0.5575(3) 0.0253(15) Uani 1 1 d . . .
H57 H 1.3827 0.9635 0.5446 0.030 Uiso 1 1 calc R C .
C58 C 1.1242(6) 0.9802(5) 0.6176(4) 0.0297(16) Uani 1 1 d . . .
H58 H 1.0750 1.0150 0.6476 0.036 Uiso 1 1 calc R C .
C59 C 1.0781(6) 0.9132(5) 0.5902(4) 0.0340(17) Uani 1 1 d . C .
H59 H 0.9985 0.9041 0.6006 0.041 Uiso 1 1 calc R . .
C60 C 0.6800(7) 0.1984(5) 0.2977(4) 0.0380(19) Uani 1 1 d . . .
H60A H 0.6811 0.1341 0.3044 0.046 Uiso 1 1 calc R . .
H60B H 0.6524 0.2146 0.2568 0.046 Uiso 1 1 calc R . .
Cl1 Cl 0.58642(19) 0.24519(13) 0.36562(10) 0.0418(5) Uani 1 1 d . . .
Cl2 Cl 0.81940(19) 0.23706(16) 0.29082(14) 0.0572(7) Uani 1 1 d . . .
C61 C 0.5934(7) 0.0332(5) 0.1674(4) 0.0379(19) Uani 1 1 d . . .
H61A H 0.5829 0.0975 0.1655 0.046 Uiso 1 1 calc R . .
H61B H 0.6371 0.0160 0.2019 0.046 Uiso 1 1 calc R . .
Cl3 Cl 0.4572(2) -0.01658(16) 0.18717(12) 0.0524(6) Uani 1 1 d . . .
Cl4 Cl 0.6701(3) 0.00026(19) 0.09092(12) 0.0653(7) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0815(6) 0.0216(3) 0.0209(3) 0.0014(2) -0.0260(3) -0.0045(3)
Ru2 0.0289(3) 0.0175(3) 0.0308(3) 0.0015(2) -0.0103(2) -0.0005(2)
O1 0.067(4) 0.025(3) 0.024(3) 0.002(2) -0.003(3) 0.001(3)
O2 0.113(7) 0.044(4) 0.062(5) 0.020(4) 0.037(4) -0.004(4)
O3 0.038(3) 0.029(3) 0.039(3) 0.000(2) 0.009(2) 0.003(2)
O4 0.022(2) 0.024(3) 0.030(3) 0.000(2) 0.004(2) 0.007(2)
O5 0.037(3) 0.041(3) 0.063(4) -0.002(3) 0.003(3) 0.018(3)
O6 0.087(6) 0.086(6) 0.077(6) -0.003(5) 0.050(5) -0.015(5)
O7 0.048(5) 0.081(6) 0.143(8) -0.009(6) 0.044(5) 0.026(4)
O8 0.019(2) 0.029(3) 0.025(2) 0.002(2) -0.0014(19) -0.001(2)
O9 0.023(3) 0.093(5) 0.052(4) 0.044(4) 0.001(3) 0.002(3)
O10 0.021(2) 0.030(3) 0.024(2) -0.002(2) -0.006(2) 0.006(2)
O11 0.045(3) 0.027(3) 0.029(3) 0.004(2) -0.021(2) -0.005(2)
O12A 0.026(9) 0.056(15) 0.067(16) 0.019(12) -0.024(7) 0.005(7)
O12B 0.083(12) 0.045(13) 0.12(2) 0.027(14) -0.053(14) 0.012(9)
O13 0.022(3) 0.042(3) 0.049(3) -0.002(3) 0.002(2) -0.003(2)
O14 0.029(3) 0.065(5) 0.133(8) 0.012(5) -0.014(4) 0.012(3)
N1 0.041(4) 0.022(3) 0.024(3) 0.004(2) -0.015(3) -0.007(3)
N2 0.019(3) 0.018(3) 0.035(3) 0.001(2) -0.009(2) -0.003(2)
C1 0.080(7) 0.033(5) 0.029(4) 0.003(4) 0.017(5) -0.002(5)
C2 0.056(6) 0.033(5) 0.041(5) -0.003(4) 0.019(4) -0.008(4)
C3 0.047(6) 0.050(6) 0.054(6) -0.003(5) 0.031(5) -0.007(4)
C4 0.045(5) 0.051(6) 0.057(6) -0.006(5) 0.025(5) 0.004(4)
C5 0.036(5) 0.034(4) 0.050(5) -0.006(4) -0.002(4) 0.004(4)
C6 0.026(4) 0.034(4) 0.039(4) -0.010(3) 0.003(3) 0.007(3)
C7 0.115(8) 0.092(7) 0.056(6) 0.012(6) 0.032(6) -0.006(6)
C8A 0.039(11) 0.120(17) 0.13(2) 0.007(16) -0.016(12) -0.001(11)
C8B 0.018(12) 0.11(2) 0.14(2) 0.030(19) -0.013(14) 0.012(13)
C9 0.013(3) 0.043(4) 0.031(4) 0.007(3) -0.008(3) -0.003(3)
C10 0.024(4) 0.035(4) 0.023(4) -0.002(3) -0.008(3) 0.001(3)
C11 0.028(4) 0.031(4) 0.037(4) -0.006(3) -0.009(3) -0.006(3)
C12 0.028(4) 0.037(5) 0.063(6) -0.005(4) -0.008(4) 0.014(4)
C13 0.026(4) 0.030(4) 0.044(5) -0.001(3) -0.009(3) 0.006(3)
C14 0.061(7) 0.038(5) 0.069(7) 0.014(5) -0.023(5) 0.006(5)
C15 0.035(5) 0.042(5) 0.067(6) 0.001(4) -0.013(4) -0.002(4)
C16 0.099(8) 0.173(10) 0.117(9) 0.023(8) -0.048(7) 0.008(8)
C17 0.139(11) 0.035(5) 0.030(5) 0.003(4) -0.048(6) 0.013(6)
C18 0.138(11) 0.052(6) 0.039(5) 0.031(5) -0.048(7) -0.045(7)
C19 0.157(13) 0.052(6) 0.015(4) 0.002(4) -0.020(6) -0.010(7)
C20 0.131(10) 0.019(4) 0.040(5) -0.005(4) -0.050(6) 0.004(5)
C21 0.122(10) 0.031(5) 0.054(6) 0.001(4) -0.072(7) 0.002(5)
C22 0.104(9) 0.033(5) 0.067(7) -0.005(5) -0.065(7) 0.015(6)
C23 0.126(8) 0.051(5) 0.061(6) 0.005(5) -0.048(6) -0.005(6)
C24 0.109(7) 0.048(5) 0.052(5) -0.013(4) -0.037(5) 0.008(5)
C25 0.124(8) 0.075(7) 0.059(6) -0.029(5) -0.038(6) 0.004(6)
C26 0.109(8) 0.063(6) 0.081(7) -0.005(5) -0.051(6) -0.001(6)
C27 0.119(10) 0.016(4) 0.040(5) 0.006(3) -0.027(6) 0.003(5)
C28 0.080(7) 0.023(4) 0.049(6) 0.008(4) 0.003(5) -0.010(4)
C29 0.046(5) 0.027(4) 0.064(6) 0.011(4) -0.013(5) -0.013(4)
C30 0.060(5) 0.020(4) 0.036(4) 0.000(3) -0.023(4) 0.000(4)
C31 0.056(5) 0.019(4) 0.047(5) -0.011(3) -0.016(4) 0.016(4)
C32 0.071(6) 0.014(4) 0.074(7) -0.002(4) -0.047(6) 0.009(4)
C33 0.126(8) 0.061(6) 0.051(5) -0.004(5) -0.035(6) 0.012(6)
C34 0.072(6) 0.034(4) 0.052(5) -0.002(4) -0.037(4) -0.002(4)
C35 0.110(8) 0.059(6) 0.071(6) -0.013(5) -0.037(6) -0.019(6)
C36 0.129(12) 0.100(10) 0.034(6) -0.016(6) 0.002(7) -0.005(9)
C37 0.047(5) 0.040(5) 0.025(4) 0.009(3) 0.003(3) -0.015(4)
C38 0.038(5) 0.038(5) 0.052(5) 0.017(4) -0.015(4) -0.021(4)
C39 0.038(4) 0.020(4) 0.040(4) 0.005(3) -0.022(4) -0.001(3)
C40 0.032(4) 0.019(3) 0.032(4) -0.001(3) -0.014(3) 0.004(3)
C41 0.036(4) 0.026(4) 0.024(4) -0.002(3) -0.014(3) 0.005(3)
C48 0.033(4) 0.022(4) 0.047(5) -0.004(3) -0.022(4) 0.001(3)
C42A 0.037(5) 0.020(4) 0.028(5) -0.002(4) -0.018(4) -0.003(4)
C43A 0.036(5) 0.023(5) 0.031(5) -0.003(4) -0.016(4) -0.004(4)
C44A 0.035(5) 0.025(5) 0.030(5) 0.000(4) -0.011(5) -0.003(4)
C45A 0.027(5) 0.022(4) 0.029(5) -0.004(4) -0.013(4) -0.002(4)
C46A 0.030(4) 0.021(4) 0.030(4) -0.003(4) -0.014(4) 0.002(4)
C47A 0.034(4) 0.022(4) 0.030(4) -0.004(4) -0.021(4) 0.001(4)
C49A 0.026(4) 0.025(4) 0.030(4) -0.002(4) -0.015(4) -0.003(4)
C50A 0.030(5) 0.023(4) 0.029(4) -0.002(4) -0.010(4) 0.002(4)
C51A 0.021(4) 0.024(4) 0.026(4) 0.001(4) -0.006(4) -0.001(4)
C52A 0.023(4) 0.021(4) 0.026(4) -0.002(4) -0.007(4) -0.001(4)
C53A 0.022(4) 0.025(4) 0.029(4) -0.005(4) -0.011(4) -0.001(4)
C54A 0.026(4) 0.028(5) 0.030(4) -0.003(4) -0.009(4) -0.003(4)
C42B 0.034(5) 0.025(4) 0.028(5) 0.000(4) -0.017(4) 0.001(4)
C43B 0.031(5) 0.026(5) 0.028(5) -0.006(4) -0.012(4) 0.002(4)
C44B 0.026(5) 0.025(5) 0.026(5) -0.002(4) -0.010(4) 0.003(4)
C45B 0.024(5) 0.017(4) 0.018(5) 0.000(4) -0.011(4) 0.000(4)
C46B 0.032(4) 0.024(4) 0.027(4) 0.000(4) -0.011(4) -0.004(4)
C47B 0.039(5) 0.026(4) 0.030(4) -0.001(4) -0.017(4) -0.004(4)
C49B 0.024(4) 0.022(4) 0.027(4) -0.001(4) -0.019(4) -0.001(4)
C50B 0.023(4) 0.025(4) 0.031(4) -0.004(4) -0.014(4) -0.001(4)
C51B 0.022(4) 0.025(4) 0.027(4) -0.004(4) -0.014(4) -0.002(4)
C52B 0.018(4) 0.019(4) 0.021(4) 0.000(4) -0.012(4) -0.003(4)
C53B 0.025(4) 0.024(4) 0.027(4) 0.001(4) -0.005(4) -0.004(4)
C54B 0.030(5) 0.025(4) 0.029(4) -0.004(4) -0.009(4) 0.001(4)
C55 0.026(4) 0.020(3) 0.029(4) -0.003(3) -0.004(3) -0.005(3)
C56 0.023(4) 0.028(4) 0.027(4) 0.001(3) 0.001(3) 0.005(3)
C57 0.021(3) 0.024(4) 0.028(4) 0.001(3) 0.002(3) -0.002(3)
C58 0.021(4) 0.029(4) 0.041(4) -0.006(3) -0.008(3) -0.004(3)
C59 0.021(4) 0.031(4) 0.050(5) -0.011(4) -0.005(3) -0.003(3)
C60 0.037(4) 0.029(4) 0.052(5) 0.008(4) -0.019(4) -0.009(3)
Cl1 0.0531(13) 0.0326(10) 0.0438(11) -0.0019(8) -0.0196(10) 0.0006(9)
Cl2 0.0366(12) 0.0459(13) 0.0909(19) 0.0171(12) -0.0224(12) -0.0110(10)
C61 0.051(5) 0.035(4) 0.027(4) -0.011(3) -0.004(4) 0.007(4)
Cl3 0.0591(14) 0.0513(14) 0.0516(13) -0.0188(11) -0.0165(11) -0.0055(11)
Cl4 0.0795(18) 0.0706(17) 0.0454(13) -0.0314(12) -0.0039(13) 0.0074(14)

_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 O11 2.073(5) . ?
Ru1 O1 2.109(6) . ?
Ru1 N1 2.115(6) . ?
Ru1 C19 2.154(9) . ?
Ru1 C18 2.160(9) . ?
Ru1 C21 2.190(9) . ?
Ru1 C17 2.194(9) . ?
Ru1 C20 2.198(8) . ?
Ru1 C22 2.201(10) . ?
Ru2 O8 2.092(5) . ?
Ru2 O4 2.103(5) . ?
Ru2 N2 2.110(6) 2_766 ?
Ru2 C29 2.155(8) . ?
Ru2 C31 2.159(7) . ?
Ru2 C32 2.183(8) . ?
Ru2 C27 2.190(8) . ?
Ru2 C28 2.199(9) . ?
Ru2 C30 2.202(8) . ?
O1 C1 1.283(11) . ?
O2 C1 1.222(10) . ?
O3 C2 1.382(10) . ?
O3 C5 1.392(10) . ?
O4 C6 1.277(9) . ?
O5 C6 1.262(9) . ?
O6 C7 1.383(16) . ?
O6 C3 1.389(10) . ?
O7 C4 1.340(12) . ?
O7 C8B 1.363(18) . ?
O7 C8A 1.382(15) . ?
O8 C9 1.280(8) . ?
O9 C9 1.244(9) . ?
O10 C10 1.367(9) . ?
O10 C13 1.373(8) . ?
O11 C14 1.285(12) . ?
O12A C14 1.28(2) . ?
O12B C14 1.25(2) . ?
O13 C11 1.368(9) . ?
O13 C15 1.440(10) . ?
O14 C12 1.384(10) . ?
O14 C16 1.502(18) . ?
N1 C37 1.347(10) . ?
N1 C41 1.349(9) . ?
N2 C57 1.352(9) . ?
N2 C58 1.358(9) . ?
N2 Ru2 2.110(6) 2_766 ?
C1 C2 1.489(13) . ?
C2 C3 1.345(13) . ?
C3 C4 1.435(14) . ?
C4 C5 1.375(12) . ?
C5 C6 1.484(12) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8A H8A 0.9800 . ?
C8A H8B 0.9800 . ?
C8A H8C 0.9800 . ?
C8B H8D 0.9800 . ?
C8B H8E 0.9800 . ?
C8B H8F 0.9800 . ?
C9 C10 1.482(10) . ?
C10 C11 1.388(10) . ?
C11 C12 1.421(11) . ?
C12 C13 1.359(11) . ?
C13 C14 1.481(12) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.339(17) . ?
C17 C18 1.449(18) . ?
C17 C23 1.529(14) . ?
C18 C19 1.449(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.418(17) . ?
C19 H19 0.9500 . ?
C20 C21 1.405(16) . ?
C20 C24 1.527(12) . ?
C21 C22 1.426(13) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.546(14) . ?
C24 C26 1.552(17) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.408(15) . ?
C27 C32 1.448(15) . ?
C27 C33 1.529(13) . ?
C28 C29 1.407(13) . ?
C28 H28 0.9500 . ?
C29 C30 1.403(13) . ?
C29 H29 0.9500 . ?
C30 C31 1.419(12) . ?
C30 C34 1.528(11) . ?
C31 C32 1.402(12) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.523(15) . ?
C34 C35 1.552(13) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.383(12) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(12) . ?
C38 H38 0.9500 . ?
C39 C40 1.379(10) . ?
C39 C42A 1.445(9) . ?
C39 C42B 1.623(9) . ?
C40 C41 1.391(10) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C48 C48 1.334(15) 2_766 ?
C48 C45B 1.443(9) . ?
C48 C49A 1.514(10) . ?
C48 C49B 1.547(9) . ?
C48 C45A 1.626(10) . ?
C42A C43A 1.3900 . ?
C42A C47A 1.3900 . ?
C43A C44A 1.3900 . ?
C43A H43A 0.9500 . ?
C44A C45A 1.3900 . ?
C44A H44A 0.9500 . ?
C45A C46A 1.3900 . ?
C46A C47A 1.3900 . ?
C46A H46A 0.9500 . ?
C47A H47A 0.9500 . ?
C49A C50A 1.3900 . ?
C49A C54A 1.3900 . ?
C50A C51A 1.3900 . ?
C50A H50A 0.9500 . ?
C51A C52A 1.3900 . ?
C51A H51A 0.9500 . ?
C52A C53A 1.3900 . ?
C52A C55 1.563(9) . ?
C53A C54A 1.3900 . ?
C53A H53A 0.9500 . ?
C54A H54A 0.9500 . ?
C42B C43B 1.3900 . ?
C42B C47B 1.3900 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9500 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9500 . ?
C45B C46B 1.3900 . ?
C46B C47B 1.3900 . ?
C46B H46B 0.9500 . ?
C47B H47B 0.9500 . ?
C49B C50B 1.3900 . ?
C49B C54B 1.3900 . ?
C50B C51B 1.3900 . ?
C50B H50B 0.9500 . ?
C51B C52B 1.3900 . ?
C51B H51B 0.9500 . ?
C52B C53B 1.3900 . ?
C52B C55 1.471(9) . ?
C53B C54B 1.3900 . ?
C53B H53B 0.9500 . ?
C54B H54B 0.9500 . ?
C55 C56 1.393(10) . ?
C55 C59 1.400(10) . ?
C56 C57 1.389(10) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C59 1.397(10) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 Cl2 1.774(8) . ?
C60 Cl1 1.796(9) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 Cl4 1.771(8) . ?
C61 Cl3 1.794(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?

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
O11 Ru1 O1 76.1(2) . . ?
O11 Ru1 N1 84.2(2) . . ?
O1 Ru1 N1 82.7(2) . . ?
O11 Ru1 C19 145.9(3) . . ?
O1 Ru1 C19 94.0(4) . . ?
N1 Ru1 C19 127.5(4) . . ?
O11 Ru1 C18 168.3(4) . . ?
O1 Ru1 C18 115.5(4) . . ?
N1 Ru1 C18 95.9(3) . . ?
C19 Ru1 C18 39.3(4) . . ?
O11 Ru1 C21 93.2(3) . . ?
O1 Ru1 C21 128.9(3) . . ?
N1 Ru1 C21 146.7(3) . . ?
C19 Ru1 C21 67.5(5) . . ?
C18 Ru1 C21 80.3(4) . . ?
O11 Ru1 C17 129.5(4) . . ?
O1 Ru1 C17 152.4(4) . . ?
N1 Ru1 C17 89.6(3) . . ?
C19 Ru1 C17 69.9(4) . . ?
C18 Ru1 C17 38.9(5) . . ?
C21 Ru1 C17 66.6(4) . . ?
O11 Ru1 C20 110.7(3) . . ?
O1 Ru1 C20 99.9(3) . . ?
N1 Ru1 C20 165.1(3) . . ?
C19 Ru1 C20 38.0(4) . . ?
C18 Ru1 C20 69.7(4) . . ?
C21 Ru1 C20 37.3(4) . . ?
C17 Ru1 C20 81.4(3) . . ?
O11 Ru1 C22 101.6(4) . . ?
O1 Ru1 C22 166.8(3) . . ?
N1 Ru1 C22 110.1(3) . . ?
C19 Ru1 C22 80.6(5) . . ?
C18 Ru1 C22 67.3(5) . . ?
C21 Ru1 C22 37.9(3) . . ?
C17 Ru1 C22 35.5(4) . . ?
C20 Ru1 C22 68.5(4) . . ?
O8 Ru2 O4 75.80(17) . . ?
O8 Ru2 N2 84.0(2) . 2_766 ?
O4 Ru2 N2 82.4(2) . 2_766 ?
O8 Ru2 C29 92.7(3) . . ?
O4 Ru2 C29 130.4(3) . . ?
N2 Ru2 C29 145.2(3) 2_766 . ?
O8 Ru2 C31 144.0(3) . . ?
O4 Ru2 C31 94.2(3) . . ?
N2 Ru2 C31 129.6(3) 2_766 . ?
C29 Ru2 C31 67.4(4) . . ?
O8 Ru2 C32 170.8(3) . . ?
O4 Ru2 C32 113.3(3) . . ?
N2 Ru2 C32 98.3(3) 2_766 . ?
C29 Ru2 C32 80.3(4) . . ?
C31 Ru2 C32 37.7(3) . . ?
O8 Ru2 C27 132.8(3) . . ?
O4 Ru2 C27 149.5(4) . . ?
N2 Ru2 C27 89.7(3) 2_766 . ?
C29 Ru2 C27 67.4(4) . . ?
C31 Ru2 C27 68.5(3) . . ?
C32 Ru2 C27 38.7(4) . . ?
O8 Ru2 C28 101.9(3) . . ?
O4 Ru2 C28 168.1(3) . . ?
N2 Ru2 C28 109.1(3) 2_766 . ?
C29 Ru2 C28 37.7(4) . . ?
C31 Ru2 C28 80.8(4) . . ?
C32 Ru2 C28 68.8(4) . . ?
C27 Ru2 C28 37.4(4) . . ?
O8 Ru2 C30 109.0(2) . . ?
O4 Ru2 C30 100.6(3) . . ?
N2 Ru2 C30 167.0(3) 2_766 . ?
C29 Ru2 C30 37.5(3) . . ?
C31 Ru2 C30 37.9(3) . . ?
C32 Ru2 C30 68.8(3) . . ?
C27 Ru2 C30 81.3(3) . . ?
C28 Ru2 C30 68.8(3) . . ?
C1 O1 Ru1 126.2(5) . . ?
C2 O3 C5 106.6(6) . . ?
C6 O4 Ru2 127.0(5) . . ?
C7 O6 C3 114.7(10) . . ?
C4 O7 C8B 111.0(15) . . ?
C4 O7 C8A 131.0(14) . . ?
C8B O7 C8A 58.5(16) . . ?
C9 O8 Ru2 126.2(4) . . ?
C10 O10 C13 108.3(5) . . ?
C14 O11 Ru1 126.3(5) . . ?
C11 O13 C15 113.0(6) . . ?
C12 O14 C16 113.5(10) . . ?
C37 N1 C41 117.4(6) . . ?
C37 N1 Ru1 121.3(5) . . ?
C41 N1 Ru1 121.3(5) . . ?
C57 N2 C58 117.8(6) . . ?
C57 N2 Ru2 122.0(5) . 2_766 ?
C58 N2 Ru2 120.2(5) . 2_766 ?
O2 C1 O1 126.3(9) . . ?
O2 C1 C2 119.1(9) . . ?
O1 C1 C2 114.6(7) . . ?
C3 C2 O3 109.4(8) . . ?
C3 C2 C1 132.8(8) . . ?
O3 C2 C1 117.8(7) . . ?
C2 C3 O6 129.0(10) . . ?
C2 C3 C4 108.9(8) . . ?
O6 C3 C4 122.0(9) . . ?
O7 C4 C5 125.4(9) . . ?
O7 C4 C3 129.6(8) . . ?
C5 C4 C3 104.8(8) . . ?
C4 C5 O3 110.3(8) . . ?
C4 C5 C6 133.3(8) . . ?
O3 C5 C6 116.4(7) . . ?
O5 C6 O4 127.8(8) . . ?
O5 C6 C5 117.5(7) . . ?
O4 C6 C5 114.7(7) . . ?
O6 C7 H7A 109.5 . . ?
O6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O7 C8A H8A 109.5 . . ?
O7 C8A H8B 109.5 . . ?
H8A C8A H8B 109.5 . . ?
O7 C8A H8C 109.5 . . ?
H8A C8A H8C 109.5 . . ?
H8B C8A H8C 109.5 . . ?
O7 C8B H8D 109.5 . . ?
O7 C8B H8E 109.5 . . ?
H8D C8B H8E 109.5 . . ?
O7 C8B H8F 109.5 . . ?
H8D C8B H8F 109.5 . . ?
H8E C8B H8F 109.5 . . ?
O9 C9 O8 127.1(7) . . ?
O9 C9 C10 117.5(6) . . ?
O8 C9 C10 115.4(6) . . ?
O10 C10 C11 109.0(6) . . ?
O10 C10 C9 118.2(6) . . ?
C11 C10 C9 132.8(7) . . ?
O13 C11 C10 129.3(7) . . ?
O13 C11 C12 124.9(7) . . ?
C10 C11 C12 105.9(7) . . ?
C13 C12 O14 129.6(8) . . ?
C13 C12 C11 108.0(7) . . ?
O14 C12 C11 122.4(8) . . ?
C12 C13 O10 108.8(7) . . ?
C12 C13 C14 132.9(8) . . ?
O10 C13 C14 118.2(7) . . ?
O12B C14 O11 122.5(13) . . ?
O12A C14 O11 123.5(12) . . ?
O12B C14 C13 117.3(15) . . ?
O12A C14 C13 118.2(12) . . ?
O11 C14 C13 114.6(7) . . ?
O13 C15 H15A 109.5 . . ?
O13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O14 C16 H16A 109.5 . . ?
O14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 120.1(10) . . ?
C22 C17 C23 121.0(12) . . ?
C18 C17 C23 118.6(12) . . ?
C22 C17 Ru1 72.5(6) . . ?
C18 C17 Ru1 69.3(5) . . ?
C23 C17 Ru1 125.3(6) . . ?
C17 C18 C19 118.6(11) . . ?
C17 C18 Ru1 71.9(5) . . ?
C19 C18 Ru1 70.2(5) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
Ru1 C18 H18 129.6 . . ?
C20 C19 C18 120.5(12) . . ?
C20 C19 Ru1 72.7(5) . . ?
C18 C19 Ru1 70.6(5) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
Ru1 C19 H19 129.4 . . ?
C21 C20 C19 117.6(9) . . ?
C21 C20 C24 122.7(11) . . ?
C19 C20 C24 119.7(11) . . ?
C21 C20 Ru1 71.0(5) . . ?
C19 C20 Ru1 69.3(5) . . ?
C24 C20 Ru1 129.9(6) . . ?
C20 C21 C22 122.0(11) . . ?
C20 C21 Ru1 71.6(6) . . ?
C22 C21 Ru1 71.5(5) . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
Ru1 C21 H21 130.7 . . ?
C17 C22 C21 121.1(12) . . ?
C17 C22 Ru1 72.0(6) . . ?
C21 C22 Ru1 70.6(5) . . ?
C17 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
Ru1 C22 H22 130.7 . . ?
C17 C23 H23A 109.5 . . ?
C17 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C17 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 C25 106.6(8) . . ?
C20 C24 C26 112.4(10) . . ?
C25 C24 C26 108.5(10) . . ?
C20 C24 H24 109.8 . . ?
C25 C24 H24 109.8 . . ?
C26 C24 H24 109.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 120.3(8) . . ?
C28 C27 C33 118.5(10) . . ?
C32 C27 C33 121.1(11) . . ?
C28 C27 Ru2 71.6(5) . . ?
C32 C27 Ru2 70.4(5) . . ?
C33 C27 Ru2 127.7(7) . . ?
C29 C28 C27 117.9(9) . . ?
C29 C28 Ru2 69.5(5) . . ?
C27 C28 Ru2 70.9(5) . . ?
C29 C28 H28 121.1 . . ?
C27 C28 H28 121.1 . . ?
Ru2 C28 H28 131.0 . . ?
C30 C29 C28 124.5(9) . . ?
C30 C29 Ru2 73.0(5) . . ?
C28 C29 Ru2 72.9(5) . . ?
C30 C29 H29 117.7 . . ?
C28 C29 H29 117.7 . . ?
Ru2 C29 H29 129.1 . . ?
C29 C30 C31 116.0(7) . . ?
C29 C30 C34 119.1(8) . . ?
C31 C30 C34 124.8(8) . . ?
C29 C30 Ru2 69.4(5) . . ?
C31 C30 Ru2 69.4(4) . . ?
C34 C30 Ru2 129.2(5) . . ?
C32 C31 C30 122.9(9) . . ?
C32 C31 Ru2 72.1(4) . . ?
C30 C31 Ru2 72.7(4) . . ?
C32 C31 H31 118.6 . . ?
C30 C31 H31 118.6 . . ?
Ru2 C31 H31 129.3 . . ?
C31 C32 C27 118.4(9) . . ?
C31 C32 Ru2 70.3(4) . . ?
C27 C32 Ru2 71.0(5) . . ?
C31 C32 H32 120.8 . . ?
C27 C32 H32 120.8 . . ?
Ru2 C32 H32 130.4 . . ?
C27 C33 H33A 109.5 . . ?
C27 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C27 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C36 C34 C30 112.5(9) . . ?
C36 C34 C35 109.6(9) . . ?
C30 C34 C35 109.0(8) . . ?
C36 C34 H34 108.6 . . ?
C30 C34 H34 108.6 . . ?
C35 C34 H34 108.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N1 C37 C38 122.8(8) . . ?
N1 C37 H37 118.6 . . ?
C38 C37 H37 118.6 . . ?
C39 C38 C37 120.1(8) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 117.0(7) . . ?
C38 C39 C42A 113.1(7) . . ?
C40 C39 C42A 129.7(8) . . ?
C38 C39 C42B 129.5(7) . . ?
C40 C39 C42B 113.4(7) . . ?
C39 C40 C41 120.7(7) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
N1 C41 C40 121.7(7) . . ?
N1 C41 H41 119.2 . . ?
C40 C41 H41 119.2 . . ?
C48 C48 C45B 121.2(9) 2_766 . ?
C48 C48 C49A 126.2(9) 2_766 . ?
C45B C48 C49A 110.9(7) . . ?
C48 C48 C49B 117.7(9) 2_766 . ?
C45B C48 C49B 120.4(7) . . ?
C48 C48 C45A 124.7(9) 2_766 . ?
C49A C48 C45A 109.1(7) . . ?
C49B C48 C45A 117.0(7) . . ?
C43A C42A C47A 120.0 . . ?
C43A C42A C39 122.5(6) . . ?
C47A C42A C39 116.4(6) . . ?
C44A C43A C42A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C43A C44A C45A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C44A C45A C46A 120.0 . . ?
C44A C45A C48 120.2(6) . . ?
C46A C45A C48 118.5(6) . . ?
C47A C46A C45A 120.0 . . ?
C47A C46A H46A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C46A C47A C42A 120.0 . . ?
C46A C47A H47A 120.0 . . ?
C42A C47A H47A 120.0 . . ?
C50A C49A C54A 120.0 . . ?
C50A C49A C48 122.1(6) . . ?
C54A C49A C48 116.3(6) . . ?
C51A C50A C49A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C49A C50A H50A 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C52A C51A H51A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C51A C52A C53A 120.0 . . ?
C51A C52A C55 122.3(6) . . ?
C53A C52A C55 116.6(6) . . ?
C54A C53A C52A 120.0 . . ?
C54A C53A H53A 120.0 . . ?
C52A C53A H53A 120.0 . . ?
C53A C54A C49A 120.0 . . ?
C53A C54A H54A 120.0 . . ?
C49A C54A H54A 120.0 . . ?
C43B C42B C47B 120.0 . . ?
C43B C42B C39 119.8(6) . . ?
C47B C42B C39 118.7(6) . . ?
C42B C43B C44B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C45B C44B C43B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C44B C45B C46B 120.0 . . ?
C44B C45B C48 122.9(6) . . ?
C46B C45B C48 116.4(6) . . ?
C47B C46B C45B 120.0 . . ?
C47B C46B H46B 120.0 . . ?
C45B C46B H46B 120.0 . . ?
C46B C47B C42B 120.0 . . ?
C46B C47B H47B 120.0 . . ?
C42B C47B H47B 120.0 . . ?
C50B C49B C54B 120.0 . . ?
C50B C49B C48 121.0(6) . . ?
C54B C49B C48 118.9(6) . . ?
C51B C50B C49B 120.0 . . ?
C51B C50B H50B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C52B C51B C50B 120.0 . . ?
C52B C51B H51B 120.0 . . ?
C50B C51B H51B 120.0 . . ?
C51B C52B C53B 120.0 . . ?
C51B C52B C55 116.9(6) . . ?
C53B C52B C55 123.0(6) . . ?
C54B C53B C52B 120.0 . . ?
C54B C53B H53B 120.0 . . ?
C52B C53B H53B 120.0 . . ?
C53B C54B C49B 120.0 . . ?
C53B C54B H54B 120.0 . . ?
C49B C54B H54B 120.0 . . ?
C56 C55 C59 117.5(6) . . ?
C56 C55 C52B 117.9(7) . . ?
C59 C55 C52B 124.3(7) . . ?
C56 C55 C52A 125.5(7) . . ?
C59 C55 C52A 116.8(6) . . ?
C57 C56 C55 120.1(6) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
N2 C57 C56 122.3(6) . . ?
N2 C57 H57 118.8 . . ?
C56 C57 H57 118.8 . . ?
N2 C58 C59 122.5(7) . . ?
N2 C58 H58 118.8 . . ?
C59 C58 H58 118.8 . . ?
C58 C59 C55 119.3(7) . . ?
C58 C59 H59 120.3 . . ?
C55 C59 H59 120.3 . . ?
Cl2 C60 Cl1 109.7(4) . . ?
Cl2 C60 H60A 109.7 . . ?
Cl1 C60 H60A 109.7 . . ?
Cl2 C60 H60B 109.7 . . ?
Cl1 C60 H60B 109.7 . . ?
H60A C60 H60B 108.2 . . ?
Cl4 C61 Cl3 110.2(4) . . ?
Cl4 C61 H61A 109.6 . . ?
Cl3 C61 H61A 109.6 . . ?
Cl4 C61 H61B 109.6 . . ?
Cl3 C61 H61B 109.6 . . ?
H61A C61 H61B 108.1 . . ?

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
O11 Ru1 O1 C1 -172.5(7) . . . . ?
N1 Ru1 O1 C1 -86.6(7) . . . . ?
C19 Ru1 O1 C1 40.6(8) . . . . ?
C18 Ru1 O1 C1 6.4(8) . . . . ?
C21 Ru1 O1 C1 104.8(8) . . . . ?
C17 Ru1 O1 C1 -11.7(10) . . . . ?
C20 Ru1 O1 C1 78.5(8) . . . . ?
C22 Ru1 O1 C1 105.9(18) . . . . ?
O8 Ru2 O4 C6 174.3(6) . . . . ?
N2 Ru2 O4 C6 88.6(6) 2_766 . . . ?
C29 Ru2 O4 C6 -104.4(7) . . . . ?
C31 Ru2 O4 C6 -40.8(6) . . . . ?
C32 Ru2 O4 C6 -7.2(7) . . . . ?
C27 Ru2 O4 C6 12.3(9) . . . . ?
C28 Ru2 O4 C6 -105.3(15) . . . . ?
C30 Ru2 O4 C6 -78.6(6) . . . . ?
O4 Ru2 O8 C9 170.0(6) . . . . ?
N2 Ru2 O8 C9 -106.3(6) 2_766 . . . ?
C29 Ru2 O8 C9 38.9(6) . . . . ?
C31 Ru2 O8 C9 92.7(7) . . . . ?
C27 Ru2 O8 C9 -22.4(7) . . . . ?
C28 Ru2 O8 C9 2.0(6) . . . . ?
C30 Ru2 O8 C9 73.5(6) . . . . ?
O1 Ru1 O11 C14 -162.7(8) . . . . ?
N1 Ru1 O11 C14 113.4(7) . . . . ?
C19 Ru1 O11 C14 -86.4(10) . . . . ?
C18 Ru1 O11 C14 22.3(18) . . . . ?
C21 Ru1 O11 C14 -33.3(8) . . . . ?
C17 Ru1 O11 C14 28.7(9) . . . . ?
C20 Ru1 O11 C14 -67.2(8) . . . . ?
C22 Ru1 O11 C14 4.0(8) . . . . ?
O11 Ru1 N1 C37 138.7(6) . . . . ?
O1 Ru1 N1 C37 62.0(6) . . . . ?
C19 Ru1 N1 C37 -27.4(8) . . . . ?
C18 Ru1 N1 C37 -53.1(7) . . . . ?
C21 Ru1 N1 C37 -134.3(7) . . . . ?
C17 Ru1 N1 C37 -91.5(7) . . . . ?
C20 Ru1 N1 C37 -39.1(15) . . . . ?
C22 Ru1 N1 C37 -121.0(7) . . . . ?
O11 Ru1 N1 C41 -43.6(5) . . . . ?
O1 Ru1 N1 C41 -120.3(5) . . . . ?
C19 Ru1 N1 C41 150.3(6) . . . . ?
C18 Ru1 N1 C41 124.6(6) . . . . ?
C21 Ru1 N1 C41 43.4(8) . . . . ?
C17 Ru1 N1 C41 86.2(6) . . . . ?
C20 Ru1 N1 C41 138.6(13) . . . . ?
C22 Ru1 N1 C41 56.7(6) . . . . ?
Ru1 O1 C1 O2 -1.9(15) . . . . ?
Ru1 O1 C1 C2 177.0(6) . . . . ?
C5 O3 C2 C3 1.4(10) . . . . ?
C5 O3 C2 C1 -179.9(8) . . . . ?
O2 C1 C2 C3 -8.1(18) . . . . ?
O1 C1 C2 C3 172.9(11) . . . . ?
O2 C1 C2 O3 173.6(9) . . . . ?
O1 C1 C2 O3 -5.4(13) . . . . ?
O3 C2 C3 O6 -177.9(10) . . . . ?
C1 C2 C3 O6 4(2) . . . . ?
O3 C2 C3 C4 -1.1(12) . . . . ?
C1 C2 C3 C4 -179.5(10) . . . . ?
C7 O6 C3 C2 -79.7(15) . . . . ?
C7 O6 C3 C4 103.8(14) . . . . ?
C8B O7 C4 C5 -90(2) . . . . ?
C8A O7 C4 C5 -156(2) . . . . ?
C8B O7 C4 C3 95(2) . . . . ?
C8A O7 C4 C3 29(3) . . . . ?
C2 C3 C4 O7 176.3(12) . . . . ?
O6 C3 C4 O7 -6.6(19) . . . . ?
C2 C3 C4 C5 0.3(12) . . . . ?
O6 C3 C4 C5 177.5(10) . . . . ?
O7 C4 C5 O3 -175.6(11) . . . . ?
C3 C4 C5 O3 0.5(11) . . . . ?
O7 C4 C5 C6 5.3(19) . . . . ?
C3 C4 C5 C6 -178.6(10) . . . . ?
C2 O3 C5 C4 -1.2(10) . . . . ?
C2 O3 C5 C6 178.1(7) . . . . ?
Ru2 O4 C6 O5 0.1(12) . . . . ?
Ru2 O4 C6 C5 -179.4(5) . . . . ?
C4 C5 C6 O5 5.6(15) . . . . ?
O3 C5 C6 O5 -173.4(7) . . . . ?
C4 C5 C6 O4 -174.8(10) . . . . ?
O3 C5 C6 O4 6.1(11) . . . . ?
Ru2 O8 C9 O9 10.8(12) . . . . ?
Ru2 O8 C9 C10 -170.5(4) . . . . ?
C13 O10 C10 C11 1.1(8) . . . . ?
C13 O10 C10 C9 -179.6(6) . . . . ?
O9 C9 C10 O10 172.1(7) . . . . ?
O8 C9 C10 O10 -6.8(10) . . . . ?
O9 C9 C10 C11 -8.9(13) . . . . ?
O8 C9 C10 C11 172.3(8) . . . . ?
C15 O13 C11 C10 -67.9(10) . . . . ?
C15 O13 C11 C12 111.5(9) . . . . ?
O10 C10 C11 O13 179.7(7) . . . . ?
C9 C10 C11 O13 0.5(14) . . . . ?
O10 C10 C11 C12 0.2(8) . . . . ?
C9 C10 C11 C12 -179.0(8) . . . . ?
C16 O14 C12 C13 75.3(14) . . . . ?
C16 O14 C12 C11 -105.4(12) . . . . ?
O13 C11 C12 C13 179.0(7) . . . . ?
C10 C11 C12 C13 -1.5(9) . . . . ?
O13 C11 C12 O14 -0.4(14) . . . . ?
C10 C11 C12 O14 179.1(8) . . . . ?
O14 C12 C13 O10 -178.4(9) . . . . ?
C11 C12 C13 O10 2.2(10) . . . . ?
O14 C12 C13 C14 -2.5(18) . . . . ?
C11 C12 C13 C14 178.1(9) . . . . ?
C10 O10 C13 C12 -2.1(9) . . . . ?
C10 O10 C13 C14 -178.7(7) . . . . ?
Ru1 O11 C14 O12B -35(3) . . . . ?
Ru1 O11 C14 O12A 14(3) . . . . ?
Ru1 O11 C14 C13 172.2(5) . . . . ?
C12 C13 C14 O12B 30(3) . . . . ?
O10 C13 C14 O12B -155(3) . . . . ?
C12 C13 C14 O12A -17(3) . . . . ?
O10 C13 C14 O12A 159(3) . . . . ?
C12 C13 C14 O11 -176.0(9) . . . . ?
O10 C13 C14 O11 -0.3(12) . . . . ?
O11 Ru1 C17 C22 -44.9(7) . . . . ?
O1 Ru1 C17 C22 159.6(6) . . . . ?
N1 Ru1 C17 C22 -127.1(6) . . . . ?
C19 Ru1 C17 C22 102.4(7) . . . . ?
C18 Ru1 C17 C22 133.0(9) . . . . ?
C21 Ru1 C17 C22 28.9(6) . . . . ?
C20 Ru1 C17 C22 64.8(7) . . . . ?
O11 Ru1 C17 C18 -177.9(5) . . . . ?
O1 Ru1 C17 C18 26.6(9) . . . . ?
N1 Ru1 C17 C18 99.9(6) . . . . ?
C19 Ru1 C17 C18 -30.6(6) . . . . ?
C21 Ru1 C17 C18 -104.1(7) . . . . ?
C20 Ru1 C17 C18 -68.2(7) . . . . ?
C22 Ru1 C17 C18 -133.0(9) . . . . ?
O11 Ru1 C17 C23 71.1(13) . . . . ?
O1 Ru1 C17 C23 -84.4(13) . . . . ?
N1 Ru1 C17 C23 -11.1(12) . . . . ?
C19 Ru1 C17 C23 -141.6(14) . . . . ?
C18 Ru1 C17 C23 -111.0(15) . . . . ?
C21 Ru1 C17 C23 144.9(13) . . . . ?
C20 Ru1 C17 C23 -179.2(13) . . . . ?
C22 Ru1 C17 C23 116.0(15) . . . . ?
C22 C17 C18 C19 0.3(13) . . . . ?
C23 C17 C18 C19 174.0(8) . . . . ?
Ru1 C17 C18 C19 54.1(7) . . . . ?
C22 C17 C18 Ru1 -53.8(8) . . . . ?
C23 C17 C18 Ru1 119.9(7) . . . . ?
O11 Ru1 C18 C17 8.0(18) . . . . ?
O1 Ru1 C18 C17 -166.7(5) . . . . ?
N1 Ru1 C18 C17 -82.0(6) . . . . ?
C19 Ru1 C18 C17 130.9(11) . . . . ?
C21 Ru1 C18 C17 64.6(6) . . . . ?
C20 Ru1 C18 C17 101.8(7) . . . . ?
C22 Ru1 C18 C17 27.4(6) . . . . ?
O11 Ru1 C18 C19 -122.9(15) . . . . ?
O1 Ru1 C18 C19 62.4(8) . . . . ?
N1 Ru1 C18 C19 147.1(8) . . . . ?
C21 Ru1 C18 C19 -66.3(8) . . . . ?
C17 Ru1 C18 C19 -130.9(11) . . . . ?
C20 Ru1 C18 C19 -29.1(8) . . . . ?
C22 Ru1 C18 C19 -103.5(8) . . . . ?
C17 C18 C19 C20 0.0(13) . . . . ?
Ru1 C18 C19 C20 55.0(8) . . . . ?
C17 C18 C19 Ru1 -54.9(7) . . . . ?
O11 Ru1 C19 C20 30.0(11) . . . . ?
O1 Ru1 C19 C20 101.0(6) . . . . ?
N1 Ru1 C19 C20 -175.2(5) . . . . ?
C18 Ru1 C19 C20 -132.3(11) . . . . ?
C21 Ru1 C19 C20 -29.8(6) . . . . ?
C17 Ru1 C19 C20 -102.0(8) . . . . ?
C22 Ru1 C19 C20 -66.9(7) . . . . ?
O11 Ru1 C19 C18 162.3(7) . . . . ?
O1 Ru1 C19 C18 -126.7(8) . . . . ?
N1 Ru1 C19 C18 -42.8(10) . . . . ?
C21 Ru1 C19 C18 102.5(8) . . . . ?
C17 Ru1 C19 C18 30.3(8) . . . . ?
C20 Ru1 C19 C18 132.3(11) . . . . ?
C22 Ru1 C19 C18 65.4(8) . . . . ?
C18 C19 C20 C21 -0.2(13) . . . . ?
Ru1 C19 C20 C21 53.9(7) . . . . ?
C18 C19 C20 C24 -179.0(8) . . . . ?
Ru1 C19 C20 C24 -125.0(8) . . . . ?
C18 C19 C20 Ru1 -54.0(7) . . . . ?
O11 Ru1 C20 C21 66.6(6) . . . . ?
O1 Ru1 C20 C21 145.4(5) . . . . ?
N1 Ru1 C20 C21 -115.7(14) . . . . ?
C19 Ru1 C20 C21 -130.8(9) . . . . ?
C18 Ru1 C20 C21 -100.9(7) . . . . ?
C17 Ru1 C20 C21 -62.5(6) . . . . ?
C22 Ru1 C20 C21 -28.1(6) . . . . ?
O11 Ru1 C20 C19 -162.6(6) . . . . ?
O1 Ru1 C20 C19 -83.8(6) . . . . ?
N1 Ru1 C20 C19 15.1(16) . . . . ?
C18 Ru1 C20 C19 29.9(7) . . . . ?
C21 Ru1 C20 C19 130.8(9) . . . . ?
C17 Ru1 C20 C19 68.3(7) . . . . ?
C22 Ru1 C20 C19 102.7(7) . . . . ?
O11 Ru1 C20 C24 -50.6(13) . . . . ?
O1 Ru1 C20 C24 28.2(12) . . . . ?
N1 Ru1 C20 C24 127.1(12) . . . . ?
C19 Ru1 C20 C24 112.0(15) . . . . ?
C18 Ru1 C20 C24 141.9(13) . . . . ?
C21 Ru1 C20 C24 -117.2(14) . . . . ?
C17 Ru1 C20 C24 -179.7(13) . . . . ?
C22 Ru1 C20 C24 -145.3(13) . . . . ?
C19 C20 C21 C22 -0.1(12) . . . . ?
C24 C20 C21 C22 178.8(8) . . . . ?
Ru1 C20 C21 C22 53.0(7) . . . . ?
C19 C20 C21 Ru1 -53.0(7) . . . . ?
C24 C20 C21 Ru1 125.8(8) . . . . ?
O11 Ru1 C21 C20 -120.7(5) . . . . ?
O1 Ru1 C21 C20 -46.0(7) . . . . ?
N1 Ru1 C21 C20 155.0(5) . . . . ?
C19 Ru1 C21 C20 30.3(6) . . . . ?
C18 Ru1 C21 C20 69.1(6) . . . . ?
C17 Ru1 C21 C20 107.2(7) . . . . ?
C22 Ru1 C21 C20 134.4(10) . . . . ?
O11 Ru1 C21 C22 104.9(7) . . . . ?
O1 Ru1 C21 C22 179.6(6) . . . . ?
N1 Ru1 C21 C22 20.6(11) . . . . ?
C19 Ru1 C21 C22 -104.1(8) . . . . ?
C18 Ru1 C21 C22 -65.3(8) . . . . ?
C17 Ru1 C21 C22 -27.2(7) . . . . ?
C20 Ru1 C21 C22 -134.4(10) . . . . ?
C18 C17 C22 C21 -0.6(13) . . . . ?
C23 C17 C22 C21 -174.1(8) . . . . ?
Ru1 C17 C22 C21 -52.9(7) . . . . ?
C18 C17 C22 Ru1 52.3(7) . . . . ?
C23 C17 C22 Ru1 -121.2(8) . . . . ?
C20 C21 C22 C17 0.4(13) . . . . ?
Ru1 C21 C22 C17 53.5(8) . . . . ?
C20 C21 C22 Ru1 -53.0(7) . . . . ?
O11 Ru1 C22 C17 146.2(6) . . . . ?
O1 Ru1 C22 C17 -135.1(14) . . . . ?
N1 Ru1 C22 C17 58.2(7) . . . . ?
C19 Ru1 C22 C17 -68.4(7) . . . . ?
C18 Ru1 C22 C17 -29.8(6) . . . . ?
C21 Ru1 C22 C17 -133.7(10) . . . . ?
C20 Ru1 C22 C17 -105.9(7) . . . . ?
O11 Ru1 C22 C21 -80.1(7) . . . . ?
O1 Ru1 C22 C21 -1(2) . . . . ?
N1 Ru1 C22 C21 -168.1(6) . . . . ?
C19 Ru1 C22 C21 65.3(7) . . . . ?
C18 Ru1 C22 C21 103.9(8) . . . . ?
C17 Ru1 C22 C21 133.7(10) . . . . ?
C20 Ru1 C22 C21 27.7(7) . . . . ?
C21 C20 C24 C25 100.9(11) . . . . ?
C19 C20 C24 C25 -80.3(12) . . . . ?
Ru1 C20 C24 C25 -167.2(10) . . . . ?
C21 C20 C24 C26 -17.9(13) . . . . ?
C19 C20 C24 C26 160.9(9) . . . . ?
Ru1 C20 C24 C26 74.0(14) . . . . ?
O8 Ru2 C27 C28 41.6(7) . . . . ?
O4 Ru2 C27 C28 -162.4(5) . . . . ?
N2 Ru2 C27 C28 123.1(5) 2_766 . . . ?
C29 Ru2 C27 C28 -29.9(5) . . . . ?
C31 Ru2 C27 C28 -103.4(6) . . . . ?
C32 Ru2 C27 C28 -133.1(8) . . . . ?
C30 Ru2 C27 C28 -66.3(6) . . . . ?
O8 Ru2 C27 C32 174.7(4) . . . . ?
O4 Ru2 C27 C32 -29.4(8) . . . . ?
N2 Ru2 C27 C32 -103.8(5) 2_766 . . . ?
C29 Ru2 C27 C32 103.2(6) . . . . ?
C31 Ru2 C27 C32 29.6(5) . . . . ?
C28 Ru2 C27 C32 133.1(8) . . . . ?
C30 Ru2 C27 C32 66.8(5) . . . . ?
O8 Ru2 C27 C33 -70.6(13) . . . . ?
O4 Ru2 C27 C33 85.3(12) . . . . ?
N2 Ru2 C27 C33 10.9(11) 2_766 . . . ?
C29 Ru2 C27 C33 -142.1(12) . . . . ?
C31 Ru2 C27 C33 144.3(13) . . . . ?
C32 Ru2 C27 C33 114.7(14) . . . . ?
C28 Ru2 C27 C33 -112.2(13) . . . . ?
C30 Ru2 C27 C33 -178.5(12) . . . . ?
C32 C27 C28 C29 0.1(12) . . . . ?
C33 C27 C28 C29 176.5(8) . . . . ?
Ru2 C27 C28 C29 53.0(7) . . . . ?
C32 C27 C28 Ru2 -52.9(7) . . . . ?
C33 C27 C28 Ru2 123.6(8) . . . . ?
O8 Ru2 C28 C29 78.8(6) . . . . ?
O4 Ru2 C28 C29 1.1(18) . . . . ?
N2 Ru2 C28 C29 166.5(5) 2_766 . . . ?
C31 Ru2 C28 C29 -64.7(6) . . . . ?
C32 Ru2 C28 C29 -101.8(6) . . . . ?
C27 Ru2 C28 C29 -131.1(8) . . . . ?
C30 Ru2 C28 C29 -27.2(5) . . . . ?
O8 Ru2 C28 C27 -150.1(5) . . . . ?
O4 Ru2 C28 C27 132.2(14) . . . . ?
N2 Ru2 C28 C27 -62.4(6) 2_766 . . . ?
C29 Ru2 C28 C27 131.1(8) . . . . ?
C31 Ru2 C28 C27 66.4(6) . . . . ?
C32 Ru2 C28 C27 29.3(5) . . . . ?
C30 Ru2 C28 C27 103.9(6) . . . . ?
C27 C28 C29 C30 0.7(12) . . . . ?
Ru2 C28 C29 C30 54.3(7) . . . . ?
C27 C28 C29 Ru2 -53.7(7) . . . . ?
O8 Ru2 C29 C30 118.3(5) . . . . ?
O4 Ru2 C29 C30 44.7(6) . . . . ?
N2 Ru2 C29 C30 -158.4(4) 2_766 . . . ?
C31 Ru2 C29 C30 -30.7(5) . . . . ?
C32 Ru2 C29 C30 -67.7(5) . . . . ?
C27 Ru2 C29 C30 -105.9(6) . . . . ?
C28 Ru2 C29 C30 -135.6(8) . . . . ?
O8 Ru2 C29 C28 -106.1(6) . . . . ?
O4 Ru2 C29 C28 -179.7(5) . . . . ?
N2 Ru2 C29 C28 -22.8(8) 2_766 . . . ?
C31 Ru2 C29 C28 104.9(6) . . . . ?
C32 Ru2 C29 C28 67.9(6) . . . . ?
C27 Ru2 C29 C28 29.7(6) . . . . ?
C30 Ru2 C29 C28 135.6(8) . . . . ?
C28 C29 C30 C31 -1.2(12) . . . . ?
Ru2 C29 C30 C31 53.0(6) . . . . ?
C28 C29 C30 C34 -178.6(8) . . . . ?
Ru2 C29 C30 C34 -124.4(7) . . . . ?
C28 C29 C30 Ru2 -54.3(7) . . . . ?
O8 Ru2 C30 C29 -68.5(5) . . . . ?
O4 Ru2 C30 C29 -147.0(5) . . . . ?
N2 Ru2 C30 C29 110.6(13) 2_766 . . . ?
C31 Ru2 C30 C29 129.9(7) . . . . ?
C32 Ru2 C30 C29 101.9(6) . . . . ?
C27 Ru2 C30 C29 63.9(6) . . . . ?
C28 Ru2 C30 C29 27.3(5) . . . . ?
O8 Ru2 C30 C31 161.6(5) . . . . ?
O4 Ru2 C30 C31 83.1(5) . . . . ?
N2 Ru2 C30 C31 -19.3(15) 2_766 . . . ?
C29 Ru2 C30 C31 -129.9(7) . . . . ?
C32 Ru2 C30 C31 -28.0(5) . . . . ?
C27 Ru2 C30 C31 -66.0(6) . . . . ?
C28 Ru2 C30 C31 -102.6(6) . . . . ?
O8 Ru2 C30 C34 42.9(9) . . . . ?
O4 Ru2 C30 C34 -35.6(9) . . . . ?
N2 Ru2 C30 C34 -138.0(11) 2_766 . . . ?
C29 Ru2 C30 C34 111.4(10) . . . . ?
C31 Ru2 C30 C34 -118.7(11) . . . . ?
C32 Ru2 C30 C34 -146.7(9) . . . . ?
C27 Ru2 C30 C34 175.3(9) . . . . ?
C28 Ru2 C30 C34 138.7(9) . . . . ?
C29 C30 C31 C32 1.1(11) . . . . ?
C34 C30 C31 C32 178.3(7) . . . . ?
Ru2 C30 C31 C32 54.1(7) . . . . ?
C29 C30 C31 Ru2 -53.0(6) . . . . ?
C34 C30 C31 Ru2 124.2(7) . . . . ?
O8 Ru2 C31 C32 -164.8(5) . . . . ?
O4 Ru2 C31 C32 123.8(6) . . . . ?
N2 Ru2 C31 C32 40.1(7) 2_766 . . . ?
C29 Ru2 C31 C32 -103.9(6) . . . . ?
C27 Ru2 C31 C32 -30.4(6) . . . . ?
C28 Ru2 C31 C32 -67.1(6) . . . . ?
C30 Ru2 C31 C32 -134.3(8) . . . . ?
O8 Ru2 C31 C30 -30.5(7) . . . . ?
O4 Ru2 C31 C30 -101.9(5) . . . . ?
N2 Ru2 C31 C30 174.5(4) 2_766 . . . ?
C29 Ru2 C31 C30 30.4(5) . . . . ?
C32 Ru2 C31 C30 134.3(8) . . . . ?
C27 Ru2 C31 C30 104.0(6) . . . . ?
C28 Ru2 C31 C30 67.2(5) . . . . ?
C30 C31 C32 C27 -0.4(12) . . . . ?
Ru2 C31 C32 C27 54.0(6) . . . . ?
C30 C31 C32 Ru2 -54.4(7) . . . . ?
C28 C27 C32 C31 -0.2(12) . . . . ?
C33 C27 C32 C31 -176.5(8) . . . . ?
Ru2 C27 C32 C31 -53.7(6) . . . . ?
C28 C27 C32 Ru2 53.4(7) . . . . ?
C33 C27 C32 Ru2 -122.9(8) . . . . ?
O4 Ru2 C32 C31 -64.6(6) . . . . ?
N2 Ru2 C32 C31 -149.9(6) 2_766 . . . ?
C29 Ru2 C32 C31 65.4(6) . . . . ?
C27 Ru2 C32 C31 131.2(8) . . . . ?
C28 Ru2 C32 C31 102.7(6) . . . . ?
C30 Ru2 C32 C31 28.1(5) . . . . ?
O4 Ru2 C32 C27 164.3(5) . . . . ?
N2 Ru2 C32 C27 79.0(6) 2_766 . . . ?
C29 Ru2 C32 C27 -65.8(6) . . . . ?
C31 Ru2 C32 C27 -131.2(8) . . . . ?
C28 Ru2 C32 C27 -28.4(6) . . . . ?
C30 Ru2 C32 C27 -103.0(6) . . . . ?
C29 C30 C34 C36 158.9(9) . . . . ?
C31 C30 C34 C36 -18.2(12) . . . . ?
Ru2 C30 C34 C36 72.6(11) . . . . ?
C29 C30 C34 C35 -79.4(10) . . . . ?
C31 C30 C34 C35 103.5(10) . . . . ?
Ru2 C30 C34 C35 -165.7(8) . . . . ?
C41 N1 C37 C38 4.3(11) . . . . ?
Ru1 N1 C37 C38 -177.9(6) . . . . ?
N1 C37 C38 C39 -0.7(13) . . . . ?
C37 C38 C39 C40 -4.0(11) . . . . ?
C37 C38 C39 C42A 171.6(8) . . . . ?
C37 C38 C39 C42B 172.8(8) . . . . ?
C38 C39 C40 C41 5.1(10) . . . . ?
C42A C39 C40 C41 -169.7(8) . . . . ?
C42B C39 C40 C41 -172.2(7) . . . . ?
C37 N1 C41 C40 -3.2(10) . . . . ?
Ru1 N1 C41 C40 179.0(5) . . . . ?
C39 C40 C41 N1 -1.5(10) . . . . ?
C38 C39 C42A C43A -44.7(10) . . . . ?
C40 C39 C42A C43A 130.3(8) . . . . ?
C42B C39 C42A C43A 138(2) . . . . ?
C38 C39 C42A C47A 147.8(6) . . . . ?
C40 C39 C42A C47A -37.2(11) . . . . ?
C42B C39 C42A C47A -29.2(18) . . . . ?
C47A C42A C43A C44A 0.0 . . . . ?
C39 C42A C43A C44A -167.1(10) . . . . ?
C42A C43A C44A C45A 0.0 . . . . ?
C43A C44A C45A C46A 0.0 . . . . ?
C43A C44A C45A C48 166.7(9) . . . . ?
C48 C48 C45A C44A -48.7(14) 2_766 . . . ?
C45B C48 C45A C44A -131(2) . . . . ?
C49A C48 C45A C44A 129.4(7) . . . . ?
C49B C48 C45A C44A 122.1(7) . . . . ?
C48 C48 C45A C46A 118.2(11) 2_766 . . . ?
C45B C48 C45A C46A 35.7(19) . . . . ?
C49A C48 C45A C46A -63.7(9) . . . . ?
C49B C48 C45A C46A -70.9(9) . . . . ?
C44A C45A C46A C47A 0.0 . . . . ?
C48 C45A C46A C47A -166.9(9) . . . . ?
C45A C46A C47A C42A 0.0 . . . . ?
C43A C42A C47A C46A 0.0 . . . . ?
C39 C42A C47A C46A 167.8(9) . . . . ?
C48 C48 C49A C50A 116.4(12) 2_766 . . . ?
C45B C48 C49A C50A -78.4(9) . . . . ?
C49B C48 C49A C50A 79(3) . . . . ?
C45A C48 C49A C50A -61.6(9) . . . . ?
C48 C48 C49A C54A -49.4(14) 2_766 . . . ?
C45B C48 C49A C54A 115.8(7) . . . . ?
C49B C48 C49A C54A -86(3) . . . . ?
C45A C48 C49A C54A 132.5(7) . . . . ?
C54A C49A C50A C51A 0.0 . . . . ?
C48 C49A C50A C51A -165.3(9) . . . . ?
C49A C50A C51A C52A 0.0 . . . . ?
C50A C51A C52A C53A 0.0 . . . . ?
C50A C51A C52A C55 167.2(9) . . . . ?
C51A C52A C53A C54A 0.0 . . . . ?
C55 C52A C53A C54A -167.9(9) . . . . ?
C52A C53A C54A C49A 0.0 . . . . ?
C50A C49A C54A C53A 0.0 . . . . ?
C48 C49A C54A C53A 166.1(9) . . . . ?
C38 C39 C42B C43B -138.5(8) . . . . ?
C40 C39 C42B C43B 38.4(9) . . . . ?
C42A C39 C42B C43B -135(2) . . . . ?
C38 C39 C42B C47B 27.7(11) . . . . ?
C40 C39 C42B C47B -155.4(6) . . . . ?
C42A C39 C42B C47B 31.3(19) . . . . ?
C47B C42B C43B C44B 0.0 . . . . ?
C39 C42B C43B C44B 166.0(9) . . . . ?
C42B C43B C44B C45B 0.0 . . . . ?
C43B C44B C45B C46B 0.0 . . . . ?
C43B C44B C45B C48 -169.5(9) . . . . ?
C48 C48 C45B C44B 35.8(14) 2_766 . . . ?
C49A C48 C45B C44B -130.2(7) . . . . ?
C49B C48 C45B C44B -134.7(8) . . . . ?
C45A C48 C45B C44B 143(2) . . . . ?
C48 C48 C45B C46B -134.1(10) 2_766 . . . ?
C49A C48 C45B C46B 59.9(9) . . . . ?
C49B C48 C45B C46B 55.4(10) . . . . ?
C45A C48 C45B C46B -26.5(19) . . . . ?
C44B C45B C46B C47B 0.0 . . . . ?
C48 C45B C46B C47B 170.2(9) . . . . ?
C45B C46B C47B C42B 0.0 . . . . ?
C43B C42B C47B C46B 0.0 . . . . ?
C39 C42B C47B C46B -166.1(9) . . . . ?
C48 C48 C49B C50B -120.3(10) 2_766 . . . ?
C45B C48 C49B C50B 50.6(11) . . . . ?
C49A C48 C49B C50B 27(3) . . . . ?
C45A C48 C49B C50B 68.2(9) . . . . ?
C48 C48 C49B C54B 55.1(12) 2_766 . . . ?
C45B C48 C49B C54B -134.0(7) . . . . ?
C49A C48 C49B C54B -158(4) . . . . ?
C45A C48 C49B C54B -116.4(7) . . . . ?
C54B C49B C50B C51B 0.0 . . . . ?
C48 C49B C50B C51B 175.4(9) . . . . ?
C49B C50B C51B C52B 0.0 . . . . ?
C50B C51B C52B C53B 0.0 . . . . ?
C50B C51B C52B C55 -175.7(9) . . . . ?
C51B C52B C53B C54B 0.0 . . . . ?
C55 C52B C53B C54B 175.4(9) . . . . ?
C52B C53B C54B C49B 0.0 . . . . ?
C50B C49B C54B C53B 0.0 . . . . ?
C48 C49B C54B C53B -175.5(9) . . . . ?
C51B C52B C55 C56 -156.1(6) . . . . ?
C53B C52B C55 C56 28.3(10) . . . . ?
C51B C52B C55 C59 29.7(10) . . . . ?
C53B C52B C55 C59 -145.8(7) . . . . ?
C51B C52B C55 C52A -21(3) . . . . ?
C53B C52B C55 C52A 163(3) . . . . ?
C51A C52A C55 C56 -25.2(11) . . . . ?
C53A C52A C55 C56 142.5(7) . . . . ?
C51A C52A C55 C59 150.5(7) . . . . ?
C53A C52A C55 C59 -41.9(9) . . . . ?
C51A C52A C55 C52B -75(3) . . . . ?
C53A C52A C55 C52B 92(3) . . . . ?
C59 C55 C56 C57 5.5(10) . . . . ?
C52B C55 C56 C57 -169.0(7) . . . . ?
C52A C55 C56 C57 -178.8(7) . . . . ?
C58 N2 C57 C56 -3.9(10) . . . . ?
Ru2 N2 C57 C56 175.5(5) 2_766 . . . ?
C55 C56 C57 N2 -0.5(11) . . . . ?
C57 N2 C58 C59 3.2(11) . . . . ?
Ru2 N2 C58 C59 -176.3(6) 2_766 . . . ?
N2 C58 C59 C55 1.9(12) . . . . ?
C56 C55 C59 C58 -6.2(11) . . . . ?
C52B C55 C59 C58 168.0(8) . . . . ?
C52A C55 C59 C58 177.8(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.271
_refine_diff_density_min         -1.809
_refine_diff_density_rms         0.129

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 -0.093 0.500 0.907 948 202 ' '
_platon_squeeze_details          
;
;