# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H40 B2 O4 Ru2'
_chemical_formula_weight         664.36

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'
B B 0.0013 0.0007 '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           orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   9.6314(3)
_cell_length_b                   13.3745(5)
_cell_length_c                   22.5647(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2906.68(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6378
_cell_measurement_theta_min      2.7
_cell_measurement_theta_max      25.9

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1352
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_process_details   'SADABS(Bruker, 1999)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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 axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            29399
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         26.00
_reflns_number_total             5697
_reflns_number_gt                5074
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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. 
 A total of 203 restraints were applied during least squares  refinement. 
 The catechol moiety is found  to be 2-fold disordered. 
 The disordered components are segregated and their occupancies were 
 put as least squares variables during refinement. The sum of the 
 occupancies of the disordered components was restrained to be 1. 
 The phenyl rings were idealized as hexagons with 1.39\%A as c-c bond 
 distance. The boron atom connected to catechol was also disordered 
 with the same occupancy. Both the Cp^*^ moieties showed large thermal 
 libration about the axes normal to their planes. Hence the methyl 
 atoms of the Cp^*^ moieties showed much larger displacement amplitudes
 as compared to the atoms closerto libration axis. 
 The B-B (B1-B2, B1-B2') and B-O (B2-O3, B2'-O3') distances related 
 to disordered components were restrained to be equal with in the 
 limits of an allowed standard deviation.Similarly the distances 
 C28-O4 and C28'-O4'were restrained to be equal. The thermal 
 parameters of the atoms of the disordered phenyl rings were 
 restrained such that the U~ij~ values of neighbouring 
 atoms had values with in an effective standard deviation of 0.04. 
 The thermal motion components of atoms B1 and B2 were restrained
 to be equal along the B1-B2 direction. Similar restraints were 
 applied to atoms O4 and C28.
;

_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^)+(0.0456P)^2^+1.2335P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_number_reflns         5697
_refine_ls_number_parameters     380
_refine_ls_number_restraints     203
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0830
_refine_ls_wR_factor_gt          0.0767
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3637(5) 0.5916(4) 0.6643(2) 0.0624(14) Uani 1 1 d . . .
C2 C 0.2497(5) 0.6260(4) 0.63308(19) 0.0512(10) Uani 1 1 d . . .
C3 C 0.2231(5) 0.7256(4) 0.6486(2) 0.0539(11) Uani 1 1 d . . .
C4 C 0.3226(6) 0.7544(4) 0.6911(2) 0.0682(14) Uani 1 1 d . . .
C5 C 0.4095(5) 0.6702(6) 0.7005(3) 0.081(2) Uani 1 1 d . . .
C6 C 0.5438(6) 0.6710(10) 0.7351(3) 0.163(5) Uani 1 1 d . . .
H6A H 0.6194 0.6545 0.7091 0.244 Uiso 1 1 calc R . .
H6B H 0.5389 0.6227 0.7665 0.244 Uiso 1 1 calc R . .
H6C H 0.5586 0.7363 0.7516 0.244 Uiso 1 1 calc R . .
C7 C 0.4351(9) 0.4931(6) 0.6570(3) 0.116(3) Uani 1 1 d . . .
H7A H 0.3740 0.4472 0.6372 0.173 Uiso 1 1 calc R . .
H7B H 0.4592 0.4670 0.6952 0.173 Uiso 1 1 calc R . .
H7C H 0.5178 0.5019 0.6338 0.173 Uiso 1 1 calc R . .
C8 C 0.1756(7) 0.5707(5) 0.5842(2) 0.0826(17) Uani 1 1 d . . .
H8A H 0.2055 0.5960 0.5465 0.124 Uiso 1 1 calc R . .
H8B H 0.0772 0.5802 0.5882 0.124 Uiso 1 1 calc R . .
H8C H 0.1968 0.5007 0.5868 0.124 Uiso 1 1 calc R . .
C9 C 0.1142(7) 0.7923(5) 0.6211(3) 0.092(2) Uani 1 1 d . . .
H9A H 0.1524 0.8251 0.5870 0.138 Uiso 1 1 calc R . .
H9B H 0.0851 0.8414 0.6495 0.138 Uiso 1 1 calc R . .
H9C H 0.0358 0.7526 0.6094 0.138 Uiso 1 1 calc R . .
C10 C 0.3397(9) 0.8583(5) 0.7171(3) 0.115(3) Uani 1 1 d . . .
H10A H 0.3940 0.8544 0.7527 0.173 Uiso 1 1 calc R . .
H10B H 0.2500 0.8856 0.7262 0.173 Uiso 1 1 calc R . .
H10C H 0.3859 0.9005 0.6889 0.173 Uiso 1 1 calc R . .
C11 C -0.0475(6) 0.6686(4) 0.8802(2) 0.0611(13) Uani 1 1 d . A .
C12 C -0.0020(6) 0.7675(4) 0.8658(2) 0.0656(15) Uani 1 1 d . A .
C13 C 0.1039(6) 0.7952(4) 0.9052(2) 0.0637(14) Uani 1 1 d . A .
C14 C 0.1271(6) 0.7144(4) 0.9448(2) 0.0632(14) Uani 1 1 d . A .
C15 C 0.0325(6) 0.6380(4) 0.9295(2) 0.0620(13) Uani 1 1 d . A .
C16 C 0.0066(9) 0.5432(6) 0.9639(3) 0.106(3) Uani 1 1 d . . .
H16A H -0.0601 0.5558 0.9946 0.160 Uiso 1 1 calc R . .
H16B H 0.0920 0.5206 0.9813 0.160 Uiso 1 1 calc R . .
H16C H -0.0286 0.4926 0.9376 0.160 Uiso 1 1 calc R . .
C17 C -0.1712(6) 0.6143(6) 0.8553(3) 0.0909(19) Uani 1 1 d . . .
H17A H -0.1419 0.5513 0.8391 0.136 Uiso 1 1 calc R . .
H17B H -0.2128 0.6540 0.8246 0.136 Uiso 1 1 calc R . .
H17C H -0.2377 0.6029 0.8862 0.136 Uiso 1 1 calc R . .
C18 C -0.0669(8) 0.8315(5) 0.8179(3) 0.100(2) Uani 1 1 d . . .
H18A H -0.1456 0.8664 0.8338 0.150 Uiso 1 1 calc R . .
H18B H -0.0964 0.7897 0.7857 0.150 Uiso 1 1 calc R . .
H18C H 0.0001 0.8790 0.8038 0.150 Uiso 1 1 calc R . .
C19 C 0.1728(9) 0.8954(4) 0.9088(4) 0.105(2) Uani 1 1 d . . .
H19A H 0.1672 0.9279 0.8710 0.157 Uiso 1 1 calc R . .
H19B H 0.2685 0.8869 0.9196 0.157 Uiso 1 1 calc R . .
H19C H 0.1269 0.9355 0.9381 0.157 Uiso 1 1 calc R . .
C20 C 0.2193(8) 0.7137(6) 0.9981(3) 0.091(2) Uani 1 1 d . . .
H20A H 0.1786 0.7540 1.0288 0.136 Uiso 1 1 calc R . .
H20B H 0.3086 0.7404 0.9878 0.136 Uiso 1 1 calc R . .
H20C H 0.2299 0.6464 1.0121 0.136 Uiso 1 1 calc R . .
C21 C 0.0046(6) 0.6251(5) 0.7153(2) 0.0704(16) Uani 1 1 d . . .
C22 C 0.3659(7) 0.6993(6) 0.8639(3) 0.087(2) Uani 1 1 d . A .
O1 O -0.1107(4) 0.6231(5) 0.7006(2) 0.116(2) Uani 1 1 d . . .
O2 O 0.4743(5) 0.7269(7) 0.8755(3) 0.153(3) Uani 1 1 d . . .
Ru1 Ru 0.19289(4) 0.63044(3) 0.726833(14) 0.04177(10) Uani 1 1 d . A .
Ru2 Ru 0.18230(4) 0.66391(3) 0.854894(14) 0.04825(11) Uani 1 1 d . . .
B1 B 0.1634(8) 0.5216(4) 0.8079(3) 0.0697(19) Uani 1 1 d DU A .
B2 B 0.3147(11) 0.5276(6) 0.8561(4) 0.054(2) Uani 0.606(8) 1 d PDU A 1
O4 O 0.5581(7) 0.5143(5) 0.9635(2) 0.169(6) Uani 0.606(8) 1 d PDU A 1
H4 H 0.5023 0.5548 0.9501 0.254 Uiso 0.606(8) 1 calc PR A 1
C28 C 0.5110(7) 0.4262(5) 0.9567(2) 0.095(4) Uani 0.606(8) 1 d PRDU A 1
C27 C 0.5987(7) 0.3520(5) 0.9782(2) 0.109(4) Uani 0.606(8) 1 d PRDU A 1
H27 H 0.6815 0.3694 0.9967 0.131 Uiso 0.606(8) 1 calc PR A 1
C26 C 0.5626(7) 0.2519(5) 0.9720(2) 0.112(4) Uani 0.606(8) 1 d PRDU A 1
H26 H 0.6213 0.2023 0.9864 0.134 Uiso 0.606(8) 1 calc PR A 1
C25 C 0.4389(7) 0.2260(5) 0.9443(2) 0.104(4) Uani 0.606(8) 1 d PRDU A 1
H25 H 0.4148 0.1590 0.9401 0.125 Uiso 0.606(8) 1 calc PR A 1
C24 C 0.3512(7) 0.3001(5) 0.9227(2) 0.096(3) Uani 0.606(8) 1 d PRDU A 1
H24 H 0.2684 0.2827 0.9042 0.116 Uiso 0.606(8) 1 calc PR A 1
C23 C 0.3872(7) 0.4002(5) 0.9289(2) 0.071(3) Uani 0.606(8) 1 d PRDU A 1
O3 O 0.3055(8) 0.4810(5) 0.9148(2) 0.0595(17) Uani 0.606(8) 1 d PDU A 1
B2' B 0.2272(17) 0.4897(16) 0.8767(8) 0.087(6) Uani 0.394(8) 1 d PDU A 2
O4' O 0.5868(10) 0.4689(6) 0.9510(3) 0.149(8) Uani 0.394(8) 1 d PDU A 2
H4' H 0.5464 0.5149 0.9342 0.223 Uiso 0.394(8) 1 calc PR A 2
C28' C 0.5165(10) 0.3830(6) 0.9422(3) 0.079(4) Uani 0.394(8) 1 d PRDU A 2
C27' C 0.5618(10) 0.2927(6) 0.9657(3) 0.086(4) Uani 0.394(8) 1 d PRDU A 2
H27' H 0.6433 0.2903 0.9878 0.103 Uiso 0.394(8) 1 calc PR A 2
C26' C 0.4854(10) 0.2060(6) 0.9563(3) 0.090(5) Uani 0.394(8) 1 d PRDU A 2
H26' H 0.5158 0.1456 0.9720 0.108 Uiso 0.394(8) 1 calc PR A 2
C25' C 0.3637(10) 0.2096(6) 0.9232(3) 0.098(5) Uani 0.394(8) 1 d PRDU A 2
H25' H 0.3126 0.1516 0.9169 0.118 Uiso 0.394(8) 1 calc PR A 2
C24' C 0.3184(10) 0.2999(6) 0.8997(3) 0.082(4) Uani 0.394(8) 1 d PRDU A 2
H24' H 0.2369 0.3023 0.8776 0.098 Uiso 0.394(8) 1 calc PR A 2
C23' C 0.3947(10) 0.3866(6) 0.9092(3) 0.080(4) Uani 0.394(8) 1 d PRDU A 2
O3' O 0.3677(12) 0.4755(10) 0.8809(7) 0.098(4) Uani 0.394(8) 1 d PDU A 2

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
C1 0.055(3) 0.082(4) 0.050(3) 0.002(3) 0.013(2) 0.021(3)
C2 0.056(2) 0.059(3) 0.039(2) -0.005(2) 0.0078(19) 0.001(2)
C3 0.054(3) 0.057(3) 0.050(2) 0.008(2) 0.011(2) 0.007(2)
C4 0.069(3) 0.079(4) 0.057(3) -0.009(3) 0.016(3) -0.023(3)
C5 0.039(3) 0.146(6) 0.058(3) 0.007(4) 0.001(2) -0.008(3)
C6 0.041(3) 0.367(17) 0.080(5) -0.018(8) -0.008(3) -0.022(6)
C7 0.117(6) 0.133(7) 0.096(5) 0.012(5) 0.035(5) 0.076(5)
C8 0.101(4) 0.102(4) 0.044(3) -0.007(3) 0.003(3) -0.018(4)
C9 0.108(5) 0.089(5) 0.078(4) 0.031(4) 0.018(4) 0.044(4)
C10 0.147(7) 0.098(5) 0.101(5) -0.034(4) 0.034(5) -0.070(5)
C11 0.067(3) 0.066(3) 0.050(3) -0.006(2) 0.011(2) 0.007(3)
C12 0.085(4) 0.060(3) 0.052(3) -0.001(2) 0.011(3) 0.030(3)
C13 0.085(4) 0.046(3) 0.060(3) -0.012(2) 0.010(3) 0.005(3)
C14 0.085(4) 0.068(3) 0.036(2) -0.014(2) 0.004(2) 0.005(3)
C15 0.082(4) 0.061(3) 0.042(3) 0.002(2) 0.006(2) 0.006(3)
C16 0.136(7) 0.102(6) 0.081(5) 0.030(4) 0.006(4) -0.023(5)
C17 0.071(4) 0.114(5) 0.087(4) -0.010(4) -0.003(4) -0.001(4)
C18 0.123(6) 0.098(5) 0.079(4) 0.011(4) 0.003(4) 0.065(5)
C19 0.141(6) 0.052(3) 0.121(6) -0.021(3) 0.006(6) -0.009(4)
C20 0.114(6) 0.106(5) 0.052(3) -0.010(3) -0.011(3) 0.006(4)
C21 0.057(3) 0.101(5) 0.053(3) -0.002(3) 0.012(2) 0.002(3)
C22 0.075(4) 0.132(6) 0.055(4) -0.030(4) -0.010(3) 0.015(4)
O1 0.045(2) 0.209(6) 0.095(3) -0.010(4) -0.016(2) -0.003(3)
O2 0.064(3) 0.280(10) 0.114(4) -0.076(5) -0.015(3) 0.002(4)
Ru1 0.04088(16) 0.0504(2) 0.03401(16) -0.00262(14) -0.00198(15) 0.00414(16)
Ru2 0.0614(2) 0.0480(2) 0.03539(18) -0.00612(14) -0.00657(17) 0.01481(18)
B1 0.115(6) 0.049(3) 0.045(3) -0.006(2) 0.007(3) 0.023(4)
B2 0.072(6) 0.047(4) 0.043(4) 0.013(4) 0.005(5) 0.030(5)
O4 0.149(11) 0.225(14) 0.134(10) -0.019(11) -0.052(9) -0.013(11)
C28 0.101(7) 0.143(8) 0.043(6) 0.005(6) 0.003(5) 0.059(7)
C27 0.114(7) 0.153(10) 0.061(6) 0.012(7) 0.012(5) 0.069(8)
C26 0.130(8) 0.124(9) 0.082(7) 0.030(7) 0.033(7) 0.077(8)
C25 0.133(9) 0.099(7) 0.078(7) 0.030(6) 0.027(7) 0.050(7)
C24 0.146(8) 0.090(6) 0.054(6) 0.030(5) 0.028(6) 0.043(6)
C23 0.099(6) 0.094(6) 0.021(4) 0.010(4) 0.000(4) 0.040(5)
O3 0.067(4) 0.080(4) 0.032(3) 0.018(3) 0.002(3) 0.034(4)
B2' 0.084(12) 0.081(11) 0.098(12) -0.004(10) 0.034(10) -0.010(9)
O4' 0.112(13) 0.162(16) 0.172(17) -0.063(14) -0.074(12) 0.042(12)
C28' 0.095(7) 0.105(8) 0.037(6) -0.008(6) 0.002(6) 0.058(7)
C27' 0.111(8) 0.087(9) 0.058(7) 0.016(7) 0.022(7) 0.082(7)
C26' 0.096(10) 0.105(9) 0.068(8) 0.039(8) 0.016(8) 0.047(8)
C25' 0.130(10) 0.091(8) 0.074(8) 0.026(8) 0.029(8) 0.020(8)
C24' 0.134(8) 0.073(7) 0.039(7) 0.029(6) 0.000(7) 0.032(7)
C23' 0.115(8) 0.095(8) 0.032(7) 0.016(6) -0.005(6) 0.045(7)
O3' 0.068(7) 0.094(8) 0.133(11) 0.008(9) -0.015(7) 0.018(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.383(7) . ?
C1 C5 1.403(9) . ?
C1 C7 1.495(9) . ?
C1 Ru1 2.229(5) . ?
C2 C3 1.401(7) . ?
C2 C8 1.507(7) . ?
C2 Ru1 2.186(4) . ?
C3 C4 1.410(7) . ?
C3 C9 1.510(7) . ?
C3 Ru1 2.195(5) . ?
C4 C5 1.420(9) . ?
C4 C10 1.516(8) . ?
C4 Ru1 2.227(5) . ?
C5 C6 1.511(8) . ?
C5 Ru1 2.233(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C15 1.413(7) . ?
C11 C12 1.430(8) . ?
C11 C17 1.505(8) . ?
C11 Ru2 2.286(5) . ?
C12 C13 1.404(8) . ?
C12 C18 1.515(8) . ?
C12 Ru2 2.265(5) . ?
C13 C14 1.418(8) . ?
C13 C19 1.497(8) . ?
C13 Ru2 2.223(5) . ?
C14 C15 1.412(8) . ?
C14 C20 1.496(8) . ?
C14 Ru2 2.203(5) . ?
C15 C16 1.507(8) . ?
C15 Ru2 2.244(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 O1 1.160(7) . ?
C21 Ru1 1.834(6) . ?
C22 O2 1.137(8) . ?
C22 Ru2 1.842(7) . ?
Ru1 B1 2.356(6) . ?
Ru1 Ru2 2.9259(5) . ?
Ru2 B1 2.186(6) . ?
Ru2 B2 2.225(8) . ?
Ru2 B2' 2.42(2) . ?
B1 B2' 1.721(18) . ?
B1 B2 1.819(12) . ?
B2 O3 1.468(9) . ?
O4 C28 1.2727 . ?
O4 H4 0.8200 . ?
C28 C27 1.3900 . ?
C28 C23 1.3900 . ?
C27 C26 1.3900 . ?
C27 H27 0.9300 . ?
C26 C25 1.3900 . ?
C26 H26 0.9300 . ?
C25 C24 1.3900 . ?
C25 H25 0.9300 . ?
C24 C23 1.3900 . ?
C24 H24 0.9300 . ?
C23 O3 1.374(7) . ?
B2' O3' 1.370(15) . ?
O4' C28' 1.3482 . ?
O4' H4' 0.8200 . ?
C28' C27' 1.3900 . ?
C28' C23' 1.3900 . ?
C27' C26' 1.3900 . ?
C27' H27' 0.9300 . ?
C26' C25' 1.3900 . ?
C26' H26' 0.9300 . ?
C25' C24' 1.3900 . ?
C25' H25' 0.9300 . ?
C24' C23' 1.3900 . ?
C24' H24' 0.9300 . ?
C23' O3' 1.374(13) . ?

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
C2 C1 C5 107.3(5) . . ?
C2 C1 C7 127.0(6) . . ?
C5 C1 C7 125.4(6) . . ?
C2 C1 Ru1 70.1(3) . . ?
C5 C1 Ru1 71.8(3) . . ?
C7 C1 Ru1 127.9(4) . . ?
C1 C2 C3 109.5(5) . . ?
C1 C2 C8 125.9(5) . . ?
C3 C2 C8 124.2(5) . . ?
C1 C2 Ru1 73.5(3) . . ?
C3 C2 Ru1 71.7(3) . . ?
C8 C2 Ru1 127.1(4) . . ?
C2 C3 C4 107.8(4) . . ?
C2 C3 C9 125.9(5) . . ?
C4 C3 C9 126.2(5) . . ?
C2 C3 Ru1 71.0(3) . . ?
C4 C3 Ru1 72.6(3) . . ?
C9 C3 Ru1 125.5(4) . . ?
C3 C4 C5 106.6(5) . . ?
C3 C4 C10 126.0(6) . . ?
C5 C4 C10 127.3(6) . . ?
C3 C4 Ru1 70.2(3) . . ?
C5 C4 Ru1 71.7(3) . . ?
C10 C4 Ru1 127.1(4) . . ?
C1 C5 C4 108.8(5) . . ?
C1 C5 C6 125.1(8) . . ?
C4 C5 C6 125.2(8) . . ?
C1 C5 Ru1 71.5(3) . . ?
C4 C5 Ru1 71.2(3) . . ?
C6 C5 Ru1 131.7(5) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C8 H8A 109.5 . . ?
C2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.5 . . ?
C3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 106.3(5) . . ?
C15 C11 C17 125.8(5) . . ?
C12 C11 C17 127.1(6) . . ?
C15 C11 Ru2 70.2(3) . . ?
C12 C11 Ru2 70.9(3) . . ?
C17 C11 Ru2 131.3(4) . . ?
C13 C12 C11 108.8(5) . . ?
C13 C12 C18 127.1(6) . . ?
C11 C12 C18 124.0(6) . . ?
C13 C12 Ru2 70.2(3) . . ?
C11 C12 Ru2 72.5(3) . . ?
C18 C12 Ru2 126.3(4) . . ?
C12 C13 C14 108.2(5) . . ?
C12 C13 C19 126.3(6) . . ?
C14 C13 C19 125.3(6) . . ?
C12 C13 Ru2 73.4(3) . . ?
C14 C13 Ru2 70.5(3) . . ?
C19 C13 Ru2 125.7(5) . . ?
C15 C14 C13 107.2(5) . . ?
C15 C14 C20 125.1(5) . . ?
C13 C14 C20 127.2(6) . . ?
C15 C14 Ru2 73.1(3) . . ?
C13 C14 Ru2 72.1(3) . . ?
C20 C14 Ru2 126.6(4) . . ?
C14 C15 C11 109.5(5) . . ?
C14 C15 C16 126.2(5) . . ?
C11 C15 C16 124.0(6) . . ?
C14 C15 Ru2 69.9(3) . . ?
C11 C15 Ru2 73.5(3) . . ?
C16 C15 Ru2 128.5(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C20 H20A 109.5 . . ?
C14 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C14 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O1 C21 Ru1 171.4(5) . . ?
O2 C22 Ru2 171.8(6) . . ?
C21 Ru1 C2 96.3(2) . . ?
C21 Ru1 C3 92.3(2) . . ?
C2 Ru1 C3 37.31(19) . . ?
C21 Ru1 C4 122.2(3) . . ?
C2 Ru1 C4 61.97(19) . . ?
C3 Ru1 C4 37.18(19) . . ?
C21 Ru1 C1 129.2(2) . . ?
C2 Ru1 C1 36.49(18) . . ?
C3 Ru1 C1 61.85(19) . . ?
C4 Ru1 C1 62.0(2) . . ?
C21 Ru1 C5 153.6(2) . . ?
C2 Ru1 C5 61.0(2) . . ?
C3 Ru1 C5 61.6(2) . . ?
C4 Ru1 C5 37.1(2) . . ?
C1 Ru1 C5 36.6(2) . . ?
C21 Ru1 B1 88.1(3) . . ?
C2 Ru1 B1 139.91(19) . . ?
C3 Ru1 B1 177.23(18) . . ?
C4 Ru1 B1 144.0(2) . . ?
C1 Ru1 B1 115.9(2) . . ?
C5 Ru1 B1 117.8(3) . . ?
C21 Ru1 Ru2 96.38(16) . . ?
C2 Ru1 Ru2 165.63(13) . . ?
C3 Ru1 Ru2 135.23(14) . . ?
C4 Ru1 Ru2 105.23(13) . . ?
C1 Ru1 Ru2 133.37(14) . . ?
C5 Ru1 Ru2 104.98(15) . . ?
B1 Ru1 Ru2 47.40(14) . . ?
C22 Ru2 B1 110.9(3) . . ?
C22 Ru2 C14 92.9(2) . . ?
B1 Ru2 C14 133.9(2) . . ?
C22 Ru2 C13 93.8(3) . . ?
B1 Ru2 C13 155.1(3) . . ?
C14 Ru2 C13 37.4(2) . . ?
C22 Ru2 B2 70.1(4) . . ?
B1 Ru2 B2 48.7(3) . . ?
C14 Ru2 B2 112.3(3) . . ?
C13 Ru2 B2 146.7(3) . . ?
C22 Ru2 C15 125.0(2) . . ?
B1 Ru2 C15 100.1(2) . . ?
C14 Ru2 C15 37.0(2) . . ?
C13 Ru2 C15 61.3(2) . . ?
B2 Ru2 C15 103.5(3) . . ?
C22 Ru2 C12 125.7(3) . . ?
B1 Ru2 C12 121.3(3) . . ?
C14 Ru2 C12 61.5(2) . . ?
C13 Ru2 C12 36.4(2) . . ?
B2 Ru2 C12 161.6(3) . . ?
C15 Ru2 C12 60.60(19) . . ?
C22 Ru2 C11 153.4(2) . . ?
B1 Ru2 C11 93.7(3) . . ?
C14 Ru2 C11 61.8(2) . . ?
C13 Ru2 C11 61.4(2) . . ?
B2 Ru2 C11 125.0(3) . . ?
C15 Ru2 C11 36.32(19) . . ?
C12 Ru2 C11 36.6(2) . . ?
C22 Ru2 B2' 93.1(5) . . ?
B1 Ru2 B2' 43.5(5) . . ?
C14 Ru2 B2' 98.7(4) . . ?
C13 Ru2 B2' 135.8(4) . . ?
B2 Ru2 B2' 26.7(5) . . ?
C15 Ru2 B2' 79.3(4) . . ?
C12 Ru2 B2' 135.0(4) . . ?
C11 Ru2 B2' 98.5(4) . . ?
C22 Ru2 Ru1 96.61(19) . . ?
B1 Ru2 Ru1 52.49(16) . . ?
C14 Ru2 Ru1 164.72(15) . . ?
C13 Ru2 Ru1 129.60(15) . . ?
B2 Ru2 Ru1 82.3(2) . . ?
C15 Ru2 Ru1 137.69(14) . . ?
C12 Ru2 Ru1 103.19(14) . . ?
C11 Ru2 Ru1 106.56(13) . . ?
B2' Ru2 Ru1 92.7(4) . . ?
B2' B1 B2 35.7(7) . . ?
B2' B1 Ru2 75.5(8) . . ?
B2 B1 Ru2 66.8(3) . . ?
B2' B1 Ru1 144.1(8) . . ?
B2 B1 Ru1 109.9(4) . . ?
Ru2 B1 Ru1 80.1(2) . . ?
O3 B2 B1 118.2(7) . . ?
O3 B2 Ru2 108.9(5) . . ?
B1 B2 Ru2 64.5(3) . . ?
C28 O4 H4 109.5 . . ?
O4 C28 C27 113.7 . . ?
O4 C28 C23 126.3 . . ?
C27 C28 C23 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
O3 C23 C24 126.2(5) . . ?
O3 C23 C28 113.5(5) . . ?
C24 C23 C28 120.0 . . ?
C23 O3 B2 120.6(6) . . ?
O3' B2' B1 116.7(13) . . ?
O3' B2' Ru2 108.9(13) . . ?
B1 B2' Ru2 61.0(6) . . ?
C28' O4' H4' 109.5 . . ?
O4' C28' C27' 121.8 . . ?
O4' C28' C23' 118.2 . . ?
C27' C28' C23' 120.0 . . ?
C26' C27' C28' 120.0 . . ?
C26' C27' H27' 120.0 . . ?
C28' C27' H27' 120.0 . . ?
C27' C26' C25' 120.0 . . ?
C27' C26' H26' 120.0 . . ?
C25' C26' H26' 120.0 . . ?
C24' C25' C26' 120.0 . . ?
C24' C25' H25' 120.0 . . ?
C26' C25' H25' 120.0 . . ?
C25' C24' C23' 120.0 . . ?
C25' C24' H24' 120.0 . . ?
C23' C24' H24' 120.0 . . ?
O3' C23' C24' 123.4(7) . . ?
O3' C23' C28' 116.0(7) . . ?
C24' C23' C28' 120.0 . . ?
B2' O3' C23' 109.8(13) . . ?

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
C5 C1 C2 C3 0.5(6) . . . . ?
C7 C1 C2 C3 -173.9(6) . . . . ?
Ru1 C1 C2 C3 63.1(3) . . . . ?
C5 C1 C2 C8 173.3(5) . . . . ?
C7 C1 C2 C8 -1.2(9) . . . . ?
Ru1 C1 C2 C8 -124.2(5) . . . . ?
C5 C1 C2 Ru1 -62.5(4) . . . . ?
C7 C1 C2 Ru1 123.0(6) . . . . ?
C1 C2 C3 C4 -0.4(5) . . . . ?
C8 C2 C3 C4 -173.4(5) . . . . ?
Ru1 C2 C3 C4 63.8(3) . . . . ?
C1 C2 C3 C9 175.2(5) . . . . ?
C8 C2 C3 C9 2.3(8) . . . . ?
Ru1 C2 C3 C9 -120.6(5) . . . . ?
C1 C2 C3 Ru1 -64.2(3) . . . . ?
C8 C2 C3 Ru1 122.9(5) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C9 C3 C4 C5 -175.5(5) . . . . ?
Ru1 C3 C4 C5 62.9(4) . . . . ?
C2 C3 C4 C10 175.3(5) . . . . ?
C9 C3 C4 C10 -0.4(9) . . . . ?
Ru1 C3 C4 C10 -122.0(6) . . . . ?
C2 C3 C4 Ru1 -62.7(3) . . . . ?
C9 C3 C4 Ru1 121.7(5) . . . . ?
C2 C1 C5 C4 -0.4(6) . . . . ?
C7 C1 C5 C4 174.1(6) . . . . ?
Ru1 C1 C5 C4 -61.8(4) . . . . ?
C2 C1 C5 C6 -170.1(6) . . . . ?
C7 C1 C5 C6 4.5(10) . . . . ?
Ru1 C1 C5 C6 128.5(7) . . . . ?
C2 C1 C5 Ru1 61.4(3) . . . . ?
C7 C1 C5 Ru1 -124.0(6) . . . . ?
C3 C4 C5 C1 0.2(6) . . . . ?
C10 C4 C5 C1 -174.9(5) . . . . ?
Ru1 C4 C5 C1 62.0(4) . . . . ?
C3 C4 C5 C6 169.8(6) . . . . ?
C10 C4 C5 C6 -5.2(10) . . . . ?
Ru1 C4 C5 C6 -128.3(6) . . . . ?
C3 C4 C5 Ru1 -61.9(3) . . . . ?
C10 C4 C5 Ru1 123.1(6) . . . . ?
C15 C11 C12 C13 0.5(6) . . . . ?
C17 C11 C12 C13 171.1(5) . . . . ?
Ru2 C11 C12 C13 -61.1(4) . . . . ?
C15 C11 C12 C18 -176.0(5) . . . . ?
C17 C11 C12 C18 -5.4(8) . . . . ?
Ru2 C11 C12 C18 122.4(5) . . . . ?
C15 C11 C12 Ru2 61.7(3) . . . . ?
C17 C11 C12 Ru2 -127.8(5) . . . . ?
C11 C12 C13 C14 0.2(6) . . . . ?
C18 C12 C13 C14 176.6(5) . . . . ?
Ru2 C12 C13 C14 -62.4(4) . . . . ?
C11 C12 C13 C19 -174.9(6) . . . . ?
C18 C12 C13 C19 1.4(9) . . . . ?
Ru2 C12 C13 C19 122.5(6) . . . . ?
C11 C12 C13 Ru2 62.6(4) . . . . ?
C18 C12 C13 Ru2 -121.0(6) . . . . ?
C12 C13 C14 C15 -0.9(6) . . . . ?
C19 C13 C14 C15 174.3(6) . . . . ?
Ru2 C13 C14 C15 -65.1(4) . . . . ?
C12 C13 C14 C20 -173.1(5) . . . . ?
C19 C13 C14 C20 2.2(10) . . . . ?
Ru2 C13 C14 C20 122.7(6) . . . . ?
C12 C13 C14 Ru2 64.2(4) . . . . ?
C19 C13 C14 Ru2 -120.5(6) . . . . ?
C13 C14 C15 C11 1.3(6) . . . . ?
C20 C14 C15 C11 173.6(5) . . . . ?
Ru2 C14 C15 C11 -63.2(4) . . . . ?
C13 C14 C15 C16 -171.9(6) . . . . ?
C20 C14 C15 C16 0.4(9) . . . . ?
Ru2 C14 C15 C16 123.6(6) . . . . ?
C13 C14 C15 Ru2 64.5(4) . . . . ?
C20 C14 C15 Ru2 -123.2(6) . . . . ?
C12 C11 C15 C14 -1.1(6) . . . . ?
C17 C11 C15 C14 -171.8(5) . . . . ?
Ru2 C11 C15 C14 61.0(4) . . . . ?
C12 C11 C15 C16 172.3(6) . . . . ?
C17 C11 C15 C16 1.6(9) . . . . ?
Ru2 C11 C15 C16 -125.7(6) . . . . ?
C12 C11 C15 Ru2 -62.1(3) . . . . ?
C17 C11 C15 Ru2 127.2(5) . . . . ?
O1 C21 Ru1 C2 -8(5) . . . . ?
O1 C21 Ru1 C3 29(5) . . . . ?
O1 C21 Ru1 C4 53(5) . . . . ?
O1 C21 Ru1 C1 -25(5) . . . . ?
O1 C21 Ru1 C5 21(5) . . . . ?
O1 C21 Ru1 B1 -148(5) . . . . ?
O1 C21 Ru1 Ru2 165(4) . . . . ?
C1 C2 Ru1 C21 -156.8(4) . . . . ?
C3 C2 Ru1 C21 85.5(3) . . . . ?
C8 C2 Ru1 C21 -34.0(6) . . . . ?
C1 C2 Ru1 C3 117.7(4) . . . . ?
C8 C2 Ru1 C3 -119.5(6) . . . . ?
C1 C2 Ru1 C4 79.9(4) . . . . ?
C3 C2 Ru1 C4 -37.8(3) . . . . ?
C8 C2 Ru1 C4 -157.3(6) . . . . ?
C3 C2 Ru1 C1 -117.7(4) . . . . ?
C8 C2 Ru1 C1 122.8(7) . . . . ?
C1 C2 Ru1 C5 37.5(4) . . . . ?
C3 C2 Ru1 C5 -80.2(4) . . . . ?
C8 C2 Ru1 C5 160.2(6) . . . . ?
C1 C2 Ru1 B1 -62.3(5) . . . . ?
C3 C2 Ru1 B1 -180.0(4) . . . . ?
C8 C2 Ru1 B1 60.5(6) . . . . ?
C1 C2 Ru1 Ru2 51.4(7) . . . . ?
C3 C2 Ru1 Ru2 -66.3(6) . . . . ?
C8 C2 Ru1 Ru2 174.2(4) . . . . ?
C2 C3 Ru1 C21 -97.4(3) . . . . ?
C4 C3 Ru1 C21 146.1(4) . . . . ?
C9 C3 Ru1 C21 23.6(6) . . . . ?
C4 C3 Ru1 C2 -116.5(4) . . . . ?
C9 C3 Ru1 C2 121.0(6) . . . . ?
C2 C3 Ru1 C4 116.5(4) . . . . ?
C9 C3 Ru1 C4 -122.4(7) . . . . ?
C2 C3 Ru1 C1 36.7(3) . . . . ?
C4 C3 Ru1 C1 -79.9(3) . . . . ?
C9 C3 Ru1 C1 157.7(6) . . . . ?
C2 C3 Ru1 C5 78.5(3) . . . . ?
C4 C3 Ru1 C5 -38.1(3) . . . . ?
C9 C3 Ru1 C5 -160.5(6) . . . . ?
C2 C3 Ru1 B1 0(5) . . . . ?
C4 C3 Ru1 B1 -116(5) . . . . ?
C9 C3 Ru1 B1 121(5) . . . . ?
C2 C3 Ru1 Ru2 161.2(2) . . . . ?
C4 C3 Ru1 Ru2 44.6(4) . . . . ?
C9 C3 Ru1 Ru2 -77.8(6) . . . . ?
C3 C4 Ru1 C21 -41.2(4) . . . . ?
C5 C4 Ru1 C21 -157.2(3) . . . . ?
C10 C4 Ru1 C21 79.5(7) . . . . ?
C3 C4 Ru1 C2 37.9(3) . . . . ?
C5 C4 Ru1 C2 -78.1(4) . . . . ?
C10 C4 Ru1 C2 158.6(7) . . . . ?
C5 C4 Ru1 C3 -116.0(5) . . . . ?
C10 C4 Ru1 C3 120.7(8) . . . . ?
C3 C4 Ru1 C1 79.5(3) . . . . ?
C5 C4 Ru1 C1 -36.6(3) . . . . ?
C10 C4 Ru1 C1 -159.9(7) . . . . ?
C3 C4 Ru1 C5 116.0(5) . . . . ?
C10 C4 Ru1 C5 -123.3(8) . . . . ?
C3 C4 Ru1 B1 175.8(3) . . . . ?
C5 C4 Ru1 B1 59.7(5) . . . . ?
C10 C4 Ru1 B1 -63.6(8) . . . . ?
C3 C4 Ru1 Ru2 -149.1(3) . . . . ?
C5 C4 Ru1 Ru2 94.8(3) . . . . ?
C10 C4 Ru1 Ru2 -28.5(7) . . . . ?
C2 C1 Ru1 C21 30.3(5) . . . . ?
C5 C1 Ru1 C21 147.3(4) . . . . ?
C7 C1 Ru1 C21 -91.6(7) . . . . ?
C5 C1 Ru1 C2 116.9(5) . . . . ?
C7 C1 Ru1 C2 -121.9(8) . . . . ?
C2 C1 Ru1 C3 -37.5(3) . . . . ?
C5 C1 Ru1 C3 79.4(4) . . . . ?
C7 C1 Ru1 C3 -159.4(7) . . . . ?
C2 C1 Ru1 C4 -79.9(3) . . . . ?
C5 C1 Ru1 C4 37.1(4) . . . . ?
C7 C1 Ru1 C4 158.2(7) . . . . ?
C2 C1 Ru1 C5 -116.9(5) . . . . ?
C7 C1 Ru1 C5 121.2(8) . . . . ?
C2 C1 Ru1 B1 140.7(3) . . . . ?
C5 C1 Ru1 B1 -102.4(4) . . . . ?
C7 C1 Ru1 B1 18.8(7) . . . . ?
C2 C1 Ru1 Ru2 -164.5(2) . . . . ?
C5 C1 Ru1 Ru2 -47.6(4) . . . . ?
C7 C1 Ru1 Ru2 73.6(7) . . . . ?
C1 C5 Ru1 C21 -70.7(8) . . . . ?
C4 C5 Ru1 C21 47.5(8) . . . . ?
C6 C5 Ru1 C21 168.3(9) . . . . ?
C1 C5 Ru1 C2 -37.3(3) . . . . ?
C4 C5 Ru1 C2 80.9(3) . . . . ?
C6 C5 Ru1 C2 -158.3(10) . . . . ?
C1 C5 Ru1 C3 -80.1(3) . . . . ?
C4 C5 Ru1 C3 38.1(3) . . . . ?
C6 C5 Ru1 C3 158.9(10) . . . . ?
C1 C5 Ru1 C4 -118.2(5) . . . . ?
C6 C5 Ru1 C4 120.8(11) . . . . ?
C4 C5 Ru1 C1 118.2(5) . . . . ?
C6 C5 Ru1 C1 -121.0(11) . . . . ?
C1 C5 Ru1 B1 96.9(3) . . . . ?
C4 C5 Ru1 B1 -145.0(3) . . . . ?
C6 C5 Ru1 B1 -24.2(10) . . . . ?
C1 C5 Ru1 Ru2 146.2(3) . . . . ?
C4 C5 Ru1 Ru2 -95.6(3) . . . . ?
C6 C5 Ru1 Ru2 25.2(10) . . . . ?
O2 C22 Ru2 B1 -150(6) . . . . ?
O2 C22 Ru2 C14 -11(6) . . . . ?
O2 C22 Ru2 C13 27(6) . . . . ?
O2 C22 Ru2 B2 -123(6) . . . . ?
O2 C22 Ru2 C15 -31(6) . . . . ?
O2 C22 Ru2 C12 46(6) . . . . ?
O2 C22 Ru2 C11 6(7) . . . . ?
O2 C22 Ru2 B2' -110(6) . . . . ?
O2 C22 Ru2 Ru1 157(6) . . . . ?
C15 C14 Ru2 C22 -152.5(4) . . . . ?
C13 C14 Ru2 C22 92.5(4) . . . . ?
C20 C14 Ru2 C22 -31.0(6) . . . . ?
C15 C14 Ru2 B1 -29.4(5) . . . . ?
C13 C14 Ru2 B1 -144.5(4) . . . . ?
C20 C14 Ru2 B1 92.1(6) . . . . ?
C15 C14 Ru2 C13 115.1(5) . . . . ?
C20 C14 Ru2 C13 -123.4(7) . . . . ?
C15 C14 Ru2 B2 -82.8(4) . . . . ?
C13 C14 Ru2 B2 162.1(4) . . . . ?
C20 C14 Ru2 B2 38.7(7) . . . . ?
C13 C14 Ru2 C15 -115.1(5) . . . . ?
C20 C14 Ru2 C15 121.5(7) . . . . ?
C15 C14 Ru2 C12 78.0(3) . . . . ?
C13 C14 Ru2 C12 -37.1(3) . . . . ?
C20 C14 Ru2 C12 -160.5(6) . . . . ?
C15 C14 Ru2 C11 36.1(3) . . . . ?
C13 C14 Ru2 C11 -78.9(4) . . . . ?
C20 C14 Ru2 C11 157.7(6) . . . . ?
C15 C14 Ru2 B2' -58.9(5) . . . . ?
C13 C14 Ru2 B2' -174.0(5) . . . . ?
C20 C14 Ru2 B2' 62.6(7) . . . . ?
C15 C14 Ru2 Ru1 78.9(7) . . . . ?
C13 C14 Ru2 Ru1 -36.2(8) . . . . ?
C20 C14 Ru2 Ru1 -159.6(4) . . . . ?
C12 C13 Ru2 C22 153.4(4) . . . . ?
C14 C13 Ru2 C22 -89.8(4) . . . . ?
C19 C13 Ru2 C22 30.2(6) . . . . ?
C12 C13 Ru2 B1 -33.0(7) . . . . ?
C14 C13 Ru2 B1 83.8(6) . . . . ?
C19 C13 Ru2 B1 -156.2(6) . . . . ?
C12 C13 Ru2 C14 -116.8(5) . . . . ?
C19 C13 Ru2 C14 120.0(7) . . . . ?
C12 C13 Ru2 B2 -148.0(6) . . . . ?
C14 C13 Ru2 B2 -31.2(7) . . . . ?
C19 C13 Ru2 B2 88.9(8) . . . . ?
C12 C13 Ru2 C15 -78.4(4) . . . . ?
C14 C13 Ru2 C15 38.4(3) . . . . ?
C19 C13 Ru2 C15 158.5(7) . . . . ?
C14 C13 Ru2 C12 116.8(5) . . . . ?
C19 C13 Ru2 C12 -123.2(7) . . . . ?
C12 C13 Ru2 C11 -36.8(3) . . . . ?
C14 C13 Ru2 C11 80.0(4) . . . . ?
C19 C13 Ru2 C11 -159.9(6) . . . . ?
C12 C13 Ru2 B2' -108.2(7) . . . . ?
C14 C13 Ru2 B2' 8.6(7) . . . . ?
C19 C13 Ru2 B2' 128.6(8) . . . . ?
C12 C13 Ru2 Ru1 51.6(4) . . . . ?
C14 C13 Ru2 Ru1 168.4(3) . . . . ?
C19 C13 Ru2 Ru1 -71.6(6) . . . . ?
C14 C15 Ru2 C22 34.3(5) . . . . ?
C11 C15 Ru2 C22 152.9(4) . . . . ?
C16 C15 Ru2 C22 -86.5(7) . . . . ?
C14 C15 Ru2 B1 158.9(4) . . . . ?
C11 C15 Ru2 B1 -82.5(4) . . . . ?
C16 C15 Ru2 B1 38.1(6) . . . . ?
C11 C15 Ru2 C14 118.6(5) . . . . ?
C16 C15 Ru2 C14 -120.8(7) . . . . ?
C14 C15 Ru2 C13 -38.8(3) . . . . ?
C11 C15 Ru2 C13 79.8(4) . . . . ?
C16 C15 Ru2 C13 -159.6(6) . . . . ?
C14 C15 Ru2 B2 109.2(4) . . . . ?
C11 C15 Ru2 B2 -132.2(4) . . . . ?
C16 C15 Ru2 B2 -11.6(6) . . . . ?
C14 C15 Ru2 C12 -80.7(4) . . . . ?
C11 C15 Ru2 C12 37.9(3) . . . . ?
C16 C15 Ru2 C12 158.5(6) . . . . ?
C14 C15 Ru2 C11 -118.6(5) . . . . ?
C16 C15 Ru2 C11 120.6(7) . . . . ?
C14 C15 Ru2 B2' 120.5(5) . . . . ?
C11 C15 Ru2 B2' -120.9(5) . . . . ?
C16 C15 Ru2 B2' -0.3(7) . . . . ?
C14 C15 Ru2 Ru1 -157.4(3) . . . . ?
C11 C15 Ru2 Ru1 -38.8(4) . . . . ?
C16 C15 Ru2 Ru1 81.8(6) . . . . ?
C13 C12 Ru2 C22 -33.4(5) . . . . ?
C11 C12 Ru2 C22 -151.6(4) . . . . ?
C18 C12 Ru2 C22 88.7(7) . . . . ?
C13 C12 Ru2 B1 164.4(3) . . . . ?
C11 C12 Ru2 B1 46.2(4) . . . . ?
C18 C12 Ru2 B1 -73.5(7) . . . . ?
C13 C12 Ru2 C14 38.1(3) . . . . ?
C11 C12 Ru2 C14 -80.1(3) . . . . ?
C18 C12 Ru2 C14 160.1(7) . . . . ?
C11 C12 Ru2 C13 -118.2(5) . . . . ?
C18 C12 Ru2 C13 122.1(8) . . . . ?
C13 C12 Ru2 B2 112.7(9) . . . . ?
C11 C12 Ru2 B2 -5.5(10) . . . . ?
C18 C12 Ru2 B2 -125.2(9) . . . . ?
C13 C12 Ru2 C15 80.6(3) . . . . ?
C11 C12 Ru2 C15 -37.6(3) . . . . ?
C18 C12 Ru2 C15 -157.3(7) . . . . ?
C13 C12 Ru2 C11 118.2(5) . . . . ?
C18 C12 Ru2 C11 -119.7(7) . . . . ?
C13 C12 Ru2 B2' 110.7(7) . . . . ?
C11 C12 Ru2 B2' -7.5(7) . . . . ?
C18 C12 Ru2 B2' -127.2(8) . . . . ?
C13 C12 Ru2 Ru1 -141.7(3) . . . . ?
C11 C12 Ru2 Ru1 100.1(3) . . . . ?
C18 C12 Ru2 Ru1 -19.6(6) . . . . ?
C15 C11 Ru2 C22 -56.4(8) . . . . ?
C12 C11 Ru2 C22 59.7(8) . . . . ?
C17 C11 Ru2 C22 -177.2(7) . . . . ?
C15 C11 Ru2 B1 102.0(3) . . . . ?
C12 C11 Ru2 B1 -141.8(3) . . . . ?
C17 C11 Ru2 B1 -18.8(6) . . . . ?
C15 C11 Ru2 C14 -36.8(3) . . . . ?
C12 C11 Ru2 C14 79.3(3) . . . . ?
C17 C11 Ru2 C14 -157.6(7) . . . . ?
C15 C11 Ru2 C13 -79.6(3) . . . . ?
C12 C11 Ru2 C13 36.6(3) . . . . ?
C17 C11 Ru2 C13 159.6(6) . . . . ?
C15 C11 Ru2 B2 61.7(4) . . . . ?
C12 C11 Ru2 B2 177.9(4) . . . . ?
C17 C11 Ru2 B2 -59.1(7) . . . . ?
C12 C11 Ru2 C15 116.1(5) . . . . ?
C17 C11 Ru2 C15 -120.8(7) . . . . ?
C15 C11 Ru2 C12 -116.1(5) . . . . ?
C17 C11 Ru2 C12 123.1(7) . . . . ?
C15 C11 Ru2 B2' 58.5(5) . . . . ?
C12 C11 Ru2 B2' 174.7(5) . . . . ?
C17 C11 Ru2 B2' -62.3(7) . . . . ?
C15 C11 Ru2 Ru1 153.9(3) . . . . ?
C12 C11 Ru2 Ru1 -89.9(3) . . . . ?
C17 C11 Ru2 Ru1 33.1(6) . . . . ?
C21 Ru1 Ru2 C22 -167.2(3) . . . . ?
C2 Ru1 Ru2 C22 -15.4(6) . . . . ?
C3 Ru1 Ru2 C22 -67.4(3) . . . . ?
C4 Ru1 Ru2 C22 -41.3(3) . . . . ?
C1 Ru1 Ru2 C22 24.4(3) . . . . ?
C5 Ru1 Ru2 C22 -2.8(3) . . . . ?
B1 Ru1 Ru2 C22 111.4(4) . . . . ?
C21 Ru1 Ru2 B1 81.4(3) . . . . ?
C2 Ru1 Ru2 B1 -126.8(6) . . . . ?
C3 Ru1 Ru2 B1 -178.8(3) . . . . ?
C4 Ru1 Ru2 B1 -152.7(3) . . . . ?
C1 Ru1 Ru2 B1 -87.0(3) . . . . ?
C5 Ru1 Ru2 B1 -114.1(3) . . . . ?
C21 Ru1 Ru2 C14 -38.9(6) . . . . ?
C2 Ru1 Ru2 C14 112.9(8) . . . . ?
C3 Ru1 Ru2 C14 60.9(6) . . . . ?
C4 Ru1 Ru2 C14 87.0(6) . . . . ?
C1 Ru1 Ru2 C14 152.6(6) . . . . ?
C5 Ru1 Ru2 C14 125.5(6) . . . . ?
B1 Ru1 Ru2 C14 -120.4(6) . . . . ?
C21 Ru1 Ru2 C13 -66.7(3) . . . . ?
C2 Ru1 Ru2 C13 85.1(6) . . . . ?
C3 Ru1 Ru2 C13 33.1(3) . . . . ?
C4 Ru1 Ru2 C13 59.3(3) . . . . ?
C1 Ru1 Ru2 C13 124.9(3) . . . . ?
C5 Ru1 Ru2 C13 97.8(3) . . . . ?
B1 Ru1 Ru2 C13 -148.1(3) . . . . ?
C21 Ru1 Ru2 B2 124.0(3) . . . . ?
C2 Ru1 Ru2 B2 -84.2(6) . . . . ?
C3 Ru1 Ru2 B2 -136.2(3) . . . . ?
C4 Ru1 Ru2 B2 -110.1(3) . . . . ?
C1 Ru1 Ru2 B2 -44.4(3) . . . . ?
C5 Ru1 Ru2 B2 -71.6(4) . . . . ?
B1 Ru1 Ru2 B2 42.6(4) . . . . ?
C21 Ru1 Ru2 C15 22.4(3) . . . . ?
C2 Ru1 Ru2 C15 174.2(6) . . . . ?
C3 Ru1 Ru2 C15 122.2(3) . . . . ?
C4 Ru1 Ru2 C15 148.3(3) . . . . ?
C1 Ru1 Ru2 C15 -146.0(3) . . . . ?
C5 Ru1 Ru2 C15 -173.2(3) . . . . ?
B1 Ru1 Ru2 C15 -59.0(3) . . . . ?
C21 Ru1 Ru2 C12 -38.1(3) . . . . ?
C2 Ru1 Ru2 C12 113.7(6) . . . . ?
C3 Ru1 Ru2 C12 61.7(2) . . . . ?
C4 Ru1 Ru2 C12 87.8(2) . . . . ?
C1 Ru1 Ru2 C12 153.4(3) . . . . ?
C5 Ru1 Ru2 C12 126.3(3) . . . . ?
B1 Ru1 Ru2 C12 -119.6(3) . . . . ?
C21 Ru1 Ru2 C11 -0.3(3) . . . . ?
C2 Ru1 Ru2 C11 151.5(6) . . . . ?
C3 Ru1 Ru2 C11 99.5(2) . . . . ?
C4 Ru1 Ru2 C11 125.6(2) . . . . ?
C1 Ru1 Ru2 C11 -168.8(3) . . . . ?
C5 Ru1 Ru2 C11 164.1(3) . . . . ?
B1 Ru1 Ru2 C11 -81.8(3) . . . . ?
C21 Ru1 Ru2 B2' 99.4(5) . . . . ?
C2 Ru1 Ru2 B2' -108.8(7) . . . . ?
C3 Ru1 Ru2 B2' -160.8(4) . . . . ?
C4 Ru1 Ru2 B2' -134.7(4) . . . . ?
C1 Ru1 Ru2 B2' -69.0(5) . . . . ?
C5 Ru1 Ru2 B2' -96.2(5) . . . . ?
B1 Ru1 Ru2 B2' 18.0(5) . . . . ?
C22 Ru2 B1 B2' 71.4(7) . . . . ?
C14 Ru2 B1 B2' -45.0(7) . . . . ?
C13 Ru2 B1 B2' -101.8(8) . . . . ?
B2 Ru2 B1 B2' 36.7(7) . . . . ?
C15 Ru2 B1 B2' -62.5(6) . . . . ?
C12 Ru2 B1 B2' -124.1(6) . . . . ?
C11 Ru2 B1 B2' -98.5(6) . . . . ?
Ru1 Ru2 B1 B2' 153.4(7) . . . . ?
C22 Ru2 B1 B2 34.7(4) . . . . ?
C14 Ru2 B1 B2 -81.6(5) . . . . ?
C13 Ru2 B1 B2 -138.5(6) . . . . ?
C15 Ru2 B1 B2 -99.1(4) . . . . ?
C12 Ru2 B1 B2 -160.7(4) . . . . ?
C11 Ru2 B1 B2 -135.2(4) . . . . ?
B2' Ru2 B1 B2 -36.7(7) . . . . ?
Ru1 Ru2 B1 B2 116.8(4) . . . . ?
C22 Ru2 B1 Ru1 -82.1(3) . . . . ?
C14 Ru2 B1 Ru1 161.6(2) . . . . ?
C13 Ru2 B1 Ru1 104.8(5) . . . . ?
B2 Ru2 B1 Ru1 -116.8(4) . . . . ?
C15 Ru2 B1 Ru1 144.1(2) . . . . ?
C12 Ru2 B1 Ru1 82.5(3) . . . . ?
C11 Ru2 B1 Ru1 108.1(2) . . . . ?
B2' Ru2 B1 Ru1 -153.4(7) . . . . ?
C21 Ru1 B1 B2' -148.1(12) . . . . ?
C2 Ru1 B1 B2' 114.4(12) . . . . ?
C3 Ru1 B1 B2' 114(5) . . . . ?
C4 Ru1 B1 B2' 1.3(13) . . . . ?
C1 Ru1 B1 B2' 78.6(12) . . . . ?
C5 Ru1 B1 B2' 37.4(12) . . . . ?
Ru2 Ru1 B1 B2' -47.6(12) . . . . ?
C21 Ru1 B1 B2 -161.3(4) . . . . ?
C2 Ru1 B1 B2 101.3(4) . . . . ?
C3 Ru1 B1 B2 101(5) . . . . ?
C4 Ru1 B1 B2 -11.9(6) . . . . ?
C1 Ru1 B1 B2 65.4(4) . . . . ?
C5 Ru1 B1 B2 24.2(5) . . . . ?
Ru2 Ru1 B1 B2 -60.8(4) . . . . ?
C21 Ru1 B1 Ru2 -100.5(3) . . . . ?
C2 Ru1 B1 Ru2 162.0(2) . . . . ?
C3 Ru1 B1 Ru2 162(5) . . . . ?
C4 Ru1 B1 Ru2 48.9(4) . . . . ?
C1 Ru1 B1 Ru2 126.2(2) . . . . ?
C5 Ru1 B1 Ru2 85.0(3) . . . . ?
B2' B1 B2 O3 1.2(13) . . . . ?
Ru2 B1 B2 O3 98.7(6) . . . . ?
Ru1 B1 B2 O3 168.0(5) . . . . ?
B2' B1 B2 Ru2 -97.5(13) . . . . ?
Ru1 B1 B2 Ru2 69.3(3) . . . . ?
C22 Ru2 B2 O3 101.5(7) . . . . ?
B1 Ru2 B2 O3 -112.9(8) . . . . ?
C14 Ru2 B2 O3 16.7(8) . . . . ?
C13 Ru2 B2 O3 36.5(10) . . . . ?
C15 Ru2 B2 O3 -21.2(7) . . . . ?
C12 Ru2 B2 O3 -49.7(13) . . . . ?
C11 Ru2 B2 O3 -53.7(8) . . . . ?
B2' Ru2 B2 O3 -46.6(10) . . . . ?
Ru1 Ru2 B2 O3 -158.6(7) . . . . ?
C22 Ru2 B2 B1 -145.6(4) . . . . ?
C14 Ru2 B2 B1 129.6(3) . . . . ?
C13 Ru2 B2 B1 149.5(5) . . . . ?
C15 Ru2 B2 B1 91.7(3) . . . . ?
C12 Ru2 B2 B1 63.3(9) . . . . ?
C11 Ru2 B2 B1 59.3(4) . . . . ?
B2' Ru2 B2 B1 66.3(10) . . . . ?
Ru1 Ru2 B2 B1 -45.6(3) . . . . ?
O4 C28 C27 C26 -177.9 . . . . ?
C23 C28 C27 C26 0.0 . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C27 C26 C25 C24 0.0 . . . . ?
C26 C25 C24 C23 0.0 . . . . ?
C25 C24 C23 O3 -173.7(4) . . . . ?
C25 C24 C23 C28 0.0 . . . . ?
O4 C28 C23 O3 -7.9(3) . . . . ?
C27 C28 C23 O3 174.4(3) . . . . ?
O4 C28 C23 C24 177.6 . . . . ?
C27 C28 C23 C24 0.0 . . . . ?
C24 C23 O3 B2 -92.7(8) . . . . ?
C28 C23 O3 B2 93.3(7) . . . . ?
B1 B2 O3 C23 115.2(8) . . . . ?
Ru2 B2 O3 C23 -174.2(6) . . . . ?
B2 B1 B2' O3' -27.5(10) . . . . ?
Ru2 B1 B2' O3' -97.7(17) . . . . ?
Ru1 B1 B2' O3' -49(2) . . . . ?
B2 B1 B2' Ru2 70.2(11) . . . . ?
Ru1 B1 B2' Ru2 48.7(10) . . . . ?
C22 Ru2 B2' O3' -6.8(13) . . . . ?
B1 Ru2 B2' O3' 110.7(14) . . . . ?
C14 Ru2 B2' O3' -100.3(12) . . . . ?
C13 Ru2 B2' O3' -105.5(12) . . . . ?
B2 Ru2 B2' O3' 23.0(9) . . . . ?
C15 Ru2 B2' O3' -131.9(13) . . . . ?
C12 Ru2 B2' O3' -158.4(10) . . . . ?
C11 Ru2 B2' O3' -162.9(12) . . . . ?
Ru1 Ru2 B2' O3' 89.9(13) . . . . ?
C22 Ru2 B2' B1 -117.6(5) . . . . ?
C14 Ru2 B2' B1 149.0(5) . . . . ?
C13 Ru2 B2' B1 143.7(5) . . . . ?
B2 Ru2 B2' B1 -87.7(10) . . . . ?
C15 Ru2 B2' B1 117.3(6) . . . . ?
C12 Ru2 B2' B1 90.9(7) . . . . ?
C11 Ru2 B2' B1 86.4(5) . . . . ?
Ru1 Ru2 B2' B1 -20.8(5) . . . . ?
O4' C28' C27' C26' 179.2 . . . . ?
C23' C28' C27' C26' 0.0 . . . . ?
C28' C27' C26' C25' 0.0 . . . . ?
C27' C26' C25' C24' 0.0 . . . . ?
C26' C25' C24' C23' 0.0 . . . . ?
C25' C24' C23' O3' 170.8(8) . . . . ?
C25' C24' C23' C28' 0.0 . . . . ?
O4' C28' C23' O3' 9.3(7) . . . . ?
C27' C28' C23' O3' -171.5(7) . . . . ?
O4' C28' C23' C24' -179.3 . . . . ?
C27' C28' C23' C24' 0.0 . . . . ?
B1 B2' O3' C23' -130.6(14) . . . . ?
Ru2 B2' O3' C23' 163.1(8) . . . . ?
C24' C23' O3' B2' 39.5(17) . . . . ?
C28' C23' O3' B2' -149.3(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.068
_database_code_depnum_ccdc_archive 'CCDC 926986'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H34 B O3 Ru2'
_chemical_formula_weight         619.49

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'
B B 0.0013 0.0007 '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           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.773(4)
_cell_length_b                   10.793(4)
_cell_length_c                   12.098(4)
_cell_angle_alpha                73.97(2)
_cell_angle_beta                 73.995(19)
_cell_angle_gamma                83.093(19)
_cell_volume                     1298.1(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    4532
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      25.1

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             626
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(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 axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            11281
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0974
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4023
_reflns_number_gt                1963
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'


_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. 
 The cell parameters a and b are nearly same. At the end of
 isotropic refinement it became clear that there is a near
 (pseudo)merohedral twininning with the crystal in which
 a and b axes are interchanged. The twinning could not be resolved 
 through the program CELL_NOW as twinning mimics merohedry.
 However, the small difference between the a and b axes lengths
 led to bad mixing of some reflections which resulted in 'not
 very good' standard deviation of cell parameters and some of the
 structure refinement parameters.
 Further it was found that there is a two fold disorder for
 the catachol borane moiety. The disorder was resolved and refinement
 carried out with sum of the occupancy factors of disordered 
 components restrained to 1. The disordered cp* moieties were
 also corrected adopting similar procedure. The five membered
 rings were idealised as regular pentagons with sides fixed at
 1.42 \%A as length. Six membered rings were idealised as regular
 hexagons of side 1.39 \%A. The anisosotropic refinement of
 all non-hydrogen atoms almost doubles the refinement parameters
 which in turn leads poor reflection/parameter ratio. Hence,
 it was decided to stop the refinement at isotropic level. 
 Restraints were applied to the thermal parameters of some
 of the disordered atoms such that neighbouring atoms have
 comparable thermal parameters.
 The C-C(methyl)distances of Cp^*^ were restrained as 1.52\%A 
 with in the limits of an effective standard deviation(0.02\%A).
 There is a total of 98 restraints applied during the least squares
 refinement. It is observed that the molecule has thermal
 libration with the libration axis along metal metal direction.
 Hence the atoms farther away from the libration axis have
 much larger thermal libration amplitude as compared to those 
 atoms closer to the axis.
;

_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^)+(0.0311P)^2^+10.9852P] 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         4023
_refine_ls_number_parameters     187
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.1759
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_ref         0.1827
_refine_ls_wR_factor_gt          0.1290
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_restrained_S_all      1.136
_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
C1 C 0.1648(14) 0.5741(16) 0.3135(14) 0.076(13) Uiso 0.556(17) 1 d PDU A 1
H1A H 0.0869 0.5570 0.3761 0.114 Uiso 0.556(17) 1 calc PR A 1
H1B H 0.1445 0.5933 0.2379 0.114 Uiso 0.556(17) 1 calc PR A 1
H1C H 0.2046 0.6464 0.3189 0.114 Uiso 0.556(17) 1 calc PR A 1
C2 C 0.2508(14) 0.4646(16) 0.3246(14) 0.028(6) Uiso 0.556(17) 1 d PRDU A 1
C3 C 0.2412(14) 0.3458(16) 0.4133(14) 0.051(7) Uiso 0.519(15) 1 d PRDU A 1
C4 C 0.3567(14) 0.2699(16) 0.3843(14) 0.052(7) Uiso 0.556(17) 1 d PRDU A 1
C5 C 0.4377(14) 0.3417(16) 0.2776(14) 0.053(7) Uiso 0.556(17) 1 d PRDU A 1
C6 C 0.3722(14) 0.4620(16) 0.2407(14) 0.044(7) Uiso 0.556(17) 1 d PRDU A 1
C7 C 0.125(2) 0.316(3) 0.519(2) 0.044(8) Uiso 0.556(17) 1 d PDU A 1
H7A H 0.1361 0.2296 0.5662 0.066 Uiso 0.556(17) 1 calc PR A 1
H7B H 0.0484 0.3232 0.4920 0.066 Uiso 0.556(17) 1 calc PR A 1
H7C H 0.1178 0.3758 0.5667 0.066 Uiso 0.556(17) 1 calc PR A 1
C8 C 0.373(4) 0.137(3) 0.468(3) 0.097(15) Uiso 0.556(17) 1 d PDU A 1
H8A H 0.2941 0.1170 0.5281 0.146 Uiso 0.556(17) 1 calc PR A 1
H8B H 0.4413 0.1389 0.5048 0.146 Uiso 0.556(17) 1 calc PR A 1
H8C H 0.3950 0.0733 0.4235 0.146 Uiso 0.556(17) 1 calc PR A 1
C9 C 0.568(3) 0.280(5) 0.239(4) 0.108(15) Uiso 0.556(17) 1 d PDU A 1
H9A H 0.6178 0.3363 0.1687 0.162 Uiso 0.556(17) 1 calc PR A 1
H9B H 0.5594 0.1998 0.2223 0.162 Uiso 0.556(17) 1 calc PR A 1
H9C H 0.6121 0.2632 0.3013 0.162 Uiso 0.556(17) 1 calc PR A 1
C10 C 0.440(4) 0.570(3) 0.139(3) 0.085(14) Uiso 0.556(17) 1 d PDU A 1
H10A H 0.5219 0.5380 0.0993 0.127 Uiso 0.556(17) 1 calc PR A 1
H10B H 0.4528 0.6391 0.1705 0.127 Uiso 0.556(17) 1 calc PR A 1
H10C H 0.3872 0.6024 0.0839 0.127 Uiso 0.556(17) 1 calc PR A 1
C1' C 0.1481(19) 0.441(2) 0.4215(18) 0.082(14) Uiso 0.444(17) 1 d PDU A 2
H1'1 H 0.1607 0.5295 0.3779 0.123 Uiso 0.444(17) 1 calc PR A 2
H1'2 H 0.1324 0.4343 0.5050 0.123 Uiso 0.444(17) 1 calc PR A 2
H1'3 H 0.0753 0.4112 0.4067 0.123 Uiso 0.444(17) 1 calc PR A 2
C2' C 0.2676(19) 0.360(2) 0.3821(18) 0.046(7) Uiso 0.444(17) 1 d PRDU A 2
C3' C 0.3367(19) 0.238(2) 0.3964(18) 0.073(9) Uiso 0.444(17) 1 d PRDU A 2
C4' C 0.4576(19) 0.253(2) 0.3104(18) 0.057(8) Uiso 0.444(17) 1 d PRDU A 2
C5' C 0.4633(19) 0.383(2) 0.2429(18) 0.037(7) Uiso 0.444(17) 1 d PRDU A 2
C6' C 0.3459(19) 0.449(2) 0.2873(18) 0.062(8) Uiso 0.444(17) 1 d PRDU A 2
C7' C 0.280(5) 0.151(5) 0.516(3) 0.102(19) Uiso 0.444(17) 1 d PDU A 2
H7'1 H 0.1940 0.1827 0.5472 0.153 Uiso 0.444(17) 1 calc PR A 2
H7'2 H 0.3325 0.1491 0.5687 0.153 Uiso 0.444(17) 1 calc PR A 2
H7'3 H 0.2771 0.0654 0.5076 0.153 Uiso 0.444(17) 1 calc PR A 2
C8' C 0.553(4) 0.138(4) 0.331(5) 0.083(15) Uiso 0.444(17) 1 d PDU A 2
H8'1 H 0.5083 0.0663 0.3895 0.124 Uiso 0.444(17) 1 calc PR A 2
H8'2 H 0.6199 0.1604 0.3592 0.124 Uiso 0.444(17) 1 calc PR A 2
H8'3 H 0.5905 0.1133 0.2580 0.124 Uiso 0.444(17) 1 calc PR A 2
C9' C 0.591(3) 0.390(5) 0.149(4) 0.068(14) Uiso 0.444(17) 1 d PDU A 2
H9'1 H 0.6003 0.4759 0.0981 0.102 Uiso 0.444(17) 1 calc PR A 2
H9'2 H 0.5931 0.3304 0.1024 0.102 Uiso 0.444(17) 1 calc PR A 2
H9'3 H 0.6611 0.3677 0.1869 0.102 Uiso 0.444(17) 1 calc PR A 2
C10' C 0.349(6) 0.579(3) 0.195(4) 0.080(16) Uiso 0.444(17) 1 d PDU A 2
H10D H 0.2733 0.6309 0.2202 0.121 Uiso 0.444(17) 1 calc PR A 2
H10E H 0.3508 0.5644 0.1200 0.121 Uiso 0.444(17) 1 calc PR A 2
H10F H 0.4248 0.6218 0.1880 0.121 Uiso 0.444(17) 1 calc PR A 2
C11 C 0.3067(14) -0.0776(16) 0.0398(14) 0.091(15) Uiso 0.519(15) 1 d PDU A 3
H11A H 0.2678 -0.1446 0.1071 0.137 Uiso 0.519(15) 1 calc PR A 3
H11B H 0.3837 -0.0528 0.0519 0.137 Uiso 0.519(15) 1 calc PR A 3
H11C H 0.3286 -0.1088 -0.0306 0.137 Uiso 0.519(15) 1 calc PR A 3
C12 C 0.2060(14) 0.0459(16) 0.0245(14) 0.039(7) Uiso 0.519(15) 1 d PRDU A 3
C13 C 0.2161(14) 0.1644(16) -0.0646(14) 0.044(6) Uiso 0.519(15) 1 d PRDU A 3
C14 C 0.1000(14) 0.2400(16) -0.0370(14) 0.045(7) Uiso 0.519(15) 1 d PRDU A 3
C15 C 0.0181(14) 0.1682(16) 0.0691(14) 0.042(7) Uiso 0.519(15) 1 d PRDU A 3
C16 C 0.0836(14) 0.0482(16) 0.1071(14) 0.044(6) Uiso 0.519(15) 1 d PRDU A 3
C17 C 0.351(3) 0.146(5) -0.142(4) 0.078(14) Uiso 0.519(15) 1 d PDU A 3
H17A H 0.3726 0.2230 -0.2041 0.118 Uiso 0.519(15) 1 calc PR A 3
H17B H 0.3529 0.0749 -0.1755 0.118 Uiso 0.519(15) 1 calc PR A 3
H17C H 0.4118 0.1282 -0.0939 0.118 Uiso 0.519(15) 1 calc PR A 3
C18 C 0.128(6) 0.361(4) -0.136(4) 0.12(2) Uiso 0.519(15) 1 d PDU A 3
H18A H 0.0567 0.4227 -0.1251 0.181 Uiso 0.519(15) 1 calc PR A 3
H18B H 0.1394 0.3406 -0.2107 0.181 Uiso 0.519(15) 1 calc PR A 3
H18C H 0.2051 0.3959 -0.1349 0.181 Uiso 0.519(15) 1 calc PR A 3
C19 C -0.113(2) 0.217(4) 0.117(4) 0.080(12) Uiso 0.519(15) 1 d PDU A 3
H19A H -0.1255 0.3049 0.0740 0.120 Uiso 0.519(15) 1 calc PR A 3
H19B H -0.1251 0.2138 0.1998 0.120 Uiso 0.519(15) 1 calc PR A 3
H19C H -0.1752 0.1651 0.1099 0.120 Uiso 0.519(15) 1 calc PR A 3
C20 C 0.030(4) -0.068(3) 0.207(3) 0.074(12) Uiso 0.519(15) 1 d PDU A 3
H20A H -0.0548 -0.0446 0.2504 0.111 Uiso 0.519(15) 1 calc PR A 3
H20B H 0.0859 -0.0935 0.2598 0.111 Uiso 0.519(15) 1 calc PR A 3
H20C H 0.0246 -0.1376 0.1742 0.111 Uiso 0.519(15) 1 calc PR A 3
C11' C 0.3495(14) 0.0295(16) -0.0629(14) 0.078(12) Uiso 0.481(15) 1 d PDU A 4
H11D H 0.4012 0.0837 -0.1335 0.117 Uiso 0.481(15) 1 calc PR A 4
H11E H 0.3317 -0.0472 -0.0803 0.117 Uiso 0.481(15) 1 calc PR A 4
H11F H 0.3955 0.0062 -0.0020 0.117 Uiso 0.481(15) 1 calc PR A 4
C12' C 0.2200(14) 0.1035(16) -0.0192(14) 0.052(7) Uiso 0.481(15) 1 d PRDU A 4
C13' C 0.1568(14) 0.2240(16) -0.0602(14) 0.028(6) Uiso 0.481(15) 1 d PRDU A 4
C14' C 0.0318(14) 0.2274(16) 0.0180(14) 0.036(7) Uiso 0.481(15) 1 d PRDU A 4
C15' C 0.0176(14) 0.1090(16) 0.1073(14) 0.032(7) Uiso 0.481(15) 1 d PRDU A 4
C16' C 0.1339(14) 0.0324(16) 0.0843(14) 0.039(7) Uiso 0.481(15) 1 d PRDU A 4
C17' C 0.221(4) 0.317(3) -0.175(3) 0.075(13) Uiso 0.481(15) 1 d PDU A 4
H17D H 0.1698 0.3966 -0.1851 0.113 Uiso 0.481(15) 1 calc PR A 4
H17E H 0.2280 0.2803 -0.2403 0.113 Uiso 0.481(15) 1 calc PR A 4
H17F H 0.3056 0.3332 -0.1722 0.113 Uiso 0.481(15) 1 calc PR A 4
C18' C -0.068(3) 0.340(3) 0.001(4) 0.072(12) Uiso 0.481(15) 1 d PDU A 4
H18D H -0.0305 0.4071 -0.0672 0.108 Uiso 0.481(15) 1 calc PR A 4
H18E H -0.0918 0.3734 0.0704 0.108 Uiso 0.481(15) 1 calc PR A 4
H18F H -0.1426 0.3110 -0.0104 0.108 Uiso 0.481(15) 1 calc PR A 4
C19' C -0.110(3) 0.086(4) 0.202(3) 0.057(11) Uiso 0.481(15) 1 d PDU A 4
H19D H -0.1659 0.1624 0.1917 0.086 Uiso 0.481(15) 1 calc PR A 4
H19E H -0.0946 0.0649 0.2792 0.086 Uiso 0.481(15) 1 calc PR A 4
H19F H -0.1511 0.0156 0.1935 0.086 Uiso 0.481(15) 1 calc PR A 4
C20' C 0.136(5) -0.102(3) 0.163(4) 0.089(17) Uiso 0.481(15) 1 d PDU A 4
H20D H 0.2188 -0.1446 0.1385 0.134 Uiso 0.481(15) 1 calc PR A 4
H20E H 0.0696 -0.1493 0.1558 0.134 Uiso 0.481(15) 1 calc PR A 4
H20F H 0.1212 -0.0987 0.2437 0.134 Uiso 0.481(15) 1 calc PR A 4
Ru1 Ru 0.1905(2) 0.2047(3) 0.11335(12) 0.0779(7) Uani 1 1 d U . .
Ru2 Ru 0.2797(3) 0.2972(3) 0.23227(12) 0.0840(8) Uani 1 1 d U . .
B1 B 0.069(4) 0.257(4) 0.281(4) 0.044(11) Uiso 0.623(17) 1 d P A 5
O1 O 0.011(2) 0.159(2) 0.381(2) 0.061(8) Uiso 0.623(17) 1 d P A 5
O2 O -0.031(2) 0.362(2) 0.274(2) 0.064(7) Uiso 0.623(17) 1 d P A 5
C22 C -0.136(2) 0.315(3) 0.379(2) 0.057(9) Uiso 0.623(17) 1 d PGU A 5
C23 C -0.255(2) 0.375(2) 0.419(2) 0.067(9) Uiso 0.623(17) 1 d PGU A 5
H23 H -0.2756 0.4575 0.3768 0.080 Uiso 0.623(17) 1 calc PR A 5
C24 C -0.3422(18) 0.312(2) 0.521(2) 0.068(10) Uiso 0.623(17) 1 d PGU A 5
H24 H -0.4218 0.3527 0.5480 0.081 Uiso 0.623(17) 1 calc PR A 5
C25 C -0.311(2) 0.189(3) 0.584(2) 0.060(9) Uiso 0.623(17) 1 d PGU A 5
H25 H -0.3694 0.1473 0.6526 0.072 Uiso 0.623(17) 1 calc PR A 5
C26 C -0.192(2) 0.129(2) 0.544(2) 0.056(10) Uiso 0.623(17) 1 d PGU A 5
H26 H -0.1708 0.0465 0.5860 0.067 Uiso 0.623(17) 1 calc PR A 5
C21 C -0.1042(19) 0.192(3) 0.442(2) 0.059(9) Uiso 0.623(17) 1 d PGU A 5
O3 O 0.395(2) 0.067(2) 0.192(2) 0.081(7) Uiso 0.623(17) 1 d P A 5
C27 C 0.319(3) 0.149(3) 0.187(3) 0.049(7) Uiso 0.623(17) 1 d P A 5
B1' B 0.247(7) 0.070(8) 0.288(8) 0.06(2) Uiso 0.377(17) 1 d P A 6
O1' O 0.153(3) 0.017(3) 0.385(3) 0.040(10) Uiso 0.377(17) 1 d P A 6
O2' O 0.359(3) -0.035(3) 0.280(3) 0.041(10) Uiso 0.377(17) 1 d P A 6
C22' C 0.321(4) -0.130(4) 0.371(3) 0.046(12) Uiso 0.377(17) 1 d PGU A 6
C23' C 0.387(3) -0.247(4) 0.403(4) 0.063(13) Uiso 0.377(17) 1 d PGU A 6
H23' H 0.4701 -0.2628 0.3585 0.075 Uiso 0.377(17) 1 calc PR A 6
C24' C 0.330(4) -0.342(4) 0.503(4) 0.065(14) Uiso 0.377(17) 1 d PGU A 6
H24' H 0.3739 -0.4206 0.5241 0.078 Uiso 0.377(17) 1 calc PR A 6
C25' C 0.206(4) -0.319(4) 0.570(4) 0.075(14) Uiso 0.377(17) 1 d PGU A 6
H25' H 0.1674 -0.3821 0.6360 0.091 Uiso 0.377(17) 1 calc PR A 6
C26' C 0.140(3) -0.201(4) 0.538(3) 0.050(13) Uiso 0.377(17) 1 d PGU A 6
H26' H 0.0571 -0.1858 0.5824 0.061 Uiso 0.377(17) 1 calc PR A 6
C21' C 0.198(4) -0.107(3) 0.438(4) 0.055(15) Uiso 0.377(17) 1 d PGU A 6
O3' O 0.462(6) 0.251(6) 0.015(6) 0.18(3) Uiso 0.377(17) 1 d P A 6
C27' C 0.361(8) 0.242(8) 0.089(7) 0.13(3) Uiso 0.377(17) 1 d P A 6

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 0.0779(15) 0.123(2) 0.0557(9) -0.0447(14) -0.0151(11) -0.0437(11)
Ru2 0.0844(16) 0.133(2) 0.0604(10) -0.0498(15) -0.0153(12) -0.0498(12)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.4104 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.4200 . ?
C2 C6 1.4200 . ?
C2 Ru2 2.323(17) . ?
C3 C4 1.4200 . ?
C3 C7 1.514(17) . ?
C3 Ru2 2.308(16) . ?
C4 C5 1.4200 . ?
C4 C8 1.530(19) . ?
C4 Ru2 2.155(16) . ?
C5 C6 1.4200 . ?
C5 C9 1.495(19) . ?
C5 Ru2 2.071(15) . ?
C6 C10 1.525(18) . ?
C6 Ru2 2.180(16) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C1' C2' 1.5094 . ?
C1' H1'1 0.9600 . ?
C1' H1'2 0.9600 . ?
C1' H1'3 0.9600 . ?
C2' C6' 1.4200 . ?
C2' C3' 1.4200 . ?
C2' Ru2 2.07(2) . ?
C3' C4' 1.4200 . ?
C3' C7' 1.497(19) . ?
C3' Ru2 2.15(2) . ?
C4' C5' 1.4200 . ?
C4' C8' 1.525(19) . ?
C4' Ru2 2.31(2) . ?
C5' C6' 1.4200 . ?
C5' C9' 1.521(19) . ?
C5' Ru2 2.33(2) . ?
C6' C10' 1.520(19) . ?
C6' Ru2 2.19(2) . ?
C7' H7'1 0.9600 . ?
C7' H7'2 0.9600 . ?
C7' H7'3 0.9600 . ?
C8' H8'1 0.9600 . ?
C8' H8'2 0.9600 . ?
C8' H8'3 0.9600 . ?
C9' H9'1 0.9600 . ?
C9' H9'2 0.9600 . ?
C9' H9'3 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
C11 C12 1.6173 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C16 1.4200 . ?
C12 C13 1.4200 . ?
C12 Ru1 2.230(17) . ?
C13 C14 1.4200 . ?
C13 C17 1.516(18) . ?
C13 Ru1 2.249(16) . ?
C14 C15 1.4200 . ?
C14 C18 1.500(19) . ?
C14 Ru1 2.216(17) . ?
C15 C16 1.4200 . ?
C15 C19 1.470(18) . ?
C15 Ru1 2.175(17) . ?
C16 C20 1.521(18) . ?
C16 Ru1 2.184(16) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C11' C12' 1.5566 . ?
C11' H11D 0.9600 . ?
C11' H11E 0.9600 . ?
C11' H11F 0.9600 . ?
C12' C13' 1.4200 . ?
C12' C16' 1.4200 . ?
C12' Ru1 2.114(17) . ?
C13' C14' 1.4200 . ?
C13' C17' 1.509(18) . ?
C13' Ru1 2.178(17) . ?
C14' C15' 1.4200 . ?
C14' C18' 1.529(18) . ?
C14' Ru1 2.268(17) . ?
C15' C16' 1.4200 . ?
C15' C19' 1.524(18) . ?
C15' Ru1 2.263(16) . ?
C16' C20' 1.501(19) . ?
C16' Ru1 2.169(17) . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C18' H18D 0.9600 . ?
C18' H18E 0.9600 . ?
C18' H18F 0.9600 . ?
C19' H19D 0.9600 . ?
C19' H19E 0.9600 . ?
C19' H19F 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
Ru1 C27 1.80(3) . ?
Ru1 C27' 1.86(8) . ?
Ru1 B1 2.27(4) . ?
Ru2 C27 1.80(3) . ?
Ru2 C27' 1.93(8) . ?
Ru2 B1 2.25(4) . ?
B1 O1 1.42(5) . ?
B1 O2 1.46(4) . ?
O1 C21 1.32(3) . ?
O2 C22 1.46(3) . ?
C22 C23 1.3900 . ?
C22 C21 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 C21 1.3900 . ?
C26 H26 0.9300 . ?
O3 C27 1.14(3) . ?
B1' O1' 1.36(8) . ?
B1' O2' 1.55(7) . ?
O1' C21' 1.40(4) . ?
O2' C22' 1.29(5) . ?
C22' C23' 1.3900 . ?
C22' C21' 1.3900 . ?
C23' C24' 1.3900 . ?
C23' H23' 0.9300 . ?
C24' C25' 1.3900 . ?
C24' H24' 0.9300 . ?
C25' C26' 1.3900 . ?
C25' H25' 0.9300 . ?
C26' C21' 1.3900 . ?
C26' H26' 0.9300 . ?
O3' C27' 1.20(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 C3 130.7 . . ?
C1 C2 C6 121.2 . . ?
C3 C2 C6 108.0 . . ?
C1 C2 Ru2 128.8(4) . . ?
C3 C2 Ru2 71.6(4) . . ?
C6 C2 Ru2 66.2(3) . . ?
C4 C3 C2 108.0 . . ?
C4 C3 C7 129.3(14) . . ?
C2 C3 C7 122.7(14) . . ?
C4 C3 Ru2 65.7(4) . . ?
C2 C3 Ru2 72.7(4) . . ?
C7 C3 Ru2 128.7(15) . . ?
C3 C4 C5 108.0 . . ?
C3 C4 C8 118.8(18) . . ?
C5 C4 C8 133.1(18) . . ?
C3 C4 Ru2 77.4(4) . . ?
C5 C4 Ru2 67.2(4) . . ?
C8 C4 Ru2 123.0(18) . . ?
C4 C5 C6 108.0 . . ?
C4 C5 C9 115(2) . . ?
C6 C5 C9 137(2) . . ?
C4 C5 Ru2 73.6(4) . . ?
C6 C5 Ru2 74.7(5) . . ?
C9 C5 Ru2 121(2) . . ?
C5 C6 C2 108.0 . . ?
C5 C6 C10 121.6(18) . . ?
C2 C6 C10 129.7(18) . . ?
C5 C6 Ru2 66.4(4) . . ?
C2 C6 Ru2 77.2(4) . . ?
C10 C6 Ru2 129.0(18) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C9 H9A 109.5 . . ?
C5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C2' C1' H1'1 109.5 . . ?
C2' C1' H1'2 109.5 . . ?
H1'1 C1' H1'2 109.5 . . ?
C2' C1' H1'3 109.5 . . ?
H1'1 C1' H1'3 109.5 . . ?
H1'2 C1' H1'3 109.5 . . ?
C6' C2' C3' 108.0 . . ?
C6' C2' C1' 102.8 . . ?
C3' C2' C1' 149.2 . . ?
C6' C2' Ru2 75.2(6) . . ?
C3' C2' Ru2 73.3(6) . . ?
C1' C2' Ru2 116.1(6) . . ?
C4' C3' C2' 108.0 . . ?
C4' C3' C7' 138(2) . . ?
C2' C3' C7' 110(2) . . ?
C4' C3' Ru2 77.7(5) . . ?
C2' C3' Ru2 67.4(6) . . ?
C7' C3' Ru2 133(3) . . ?
C3' C4' C5' 108.0 . . ?
C3' C4' C8' 114(2) . . ?
C5' C4' C8' 137(2) . . ?
C3' C4' Ru2 65.3(5) . . ?
C5' C4' Ru2 73.2(5) . . ?
C8' C4' Ru2 135(2) . . ?
C6' C5' C4' 108.0 . . ?
C6' C5' C9' 147(2) . . ?
C4' C5' C9' 105(2) . . ?
C6' C5' Ru2 66.3(5) . . ?
C4' C5' Ru2 71.2(5) . . ?
C9' C5' Ru2 123(2) . . ?
C5' C6' C2' 108.0 . . ?
C5' C6' C10' 104(2) . . ?
C2' C6' C10' 146(2) . . ?
C5' C6' Ru2 77.3(5) . . ?
C2' C6' Ru2 66.0(5) . . ?
C10' C6' Ru2 112(2) . . ?
C3' C7' H7'1 109.5 . . ?
C3' C7' H7'2 109.5 . . ?
H7'1 C7' H7'2 109.5 . . ?
C3' C7' H7'3 109.5 . . ?
H7'1 C7' H7'3 109.5 . . ?
H7'2 C7' H7'3 109.5 . . ?
C4' C8' H8'1 109.5 . . ?
C4' C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C4' C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
C5' C9' H9'1 109.5 . . ?
C5' C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
C5' C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
C6' C10' H10D 109.5 . . ?
C6' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C6' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C16 C12 C13 108.0 . . ?
C16 C12 C11 121.5 . . ?
C13 C12 C11 130.5 . . ?
C16 C12 Ru1 69.5(4) . . ?
C13 C12 Ru1 72.3(4) . . ?
C11 C12 Ru1 123.9(4) . . ?
C14 C13 C12 108.0 . . ?
C14 C13 C17 151(2) . . ?
C12 C13 C17 101(2) . . ?
C14 C13 Ru1 70.2(4) . . ?
C12 C13 Ru1 70.8(4) . . ?
C17 C13 Ru1 120(2) . . ?
C13 C14 C15 108.0 . . ?
C13 C14 C18 101(2) . . ?
C15 C14 C18 151(2) . . ?
C13 C14 Ru1 72.7(4) . . ?
C15 C14 Ru1 69.6(4) . . ?
C18 C14 Ru1 119(3) . . ?
C16 C15 C14 108.0 . . ?
C16 C15 C19 130.6(19) . . ?
C14 C15 C19 121.3(19) . . ?
C16 C15 Ru1 71.3(4) . . ?
C14 C15 Ru1 72.7(4) . . ?
C19 C15 Ru1 124.8(19) . . ?
C12 C16 C15 108.0 . . ?
C12 C16 C20 123.8(16) . . ?
C15 C16 C20 127.7(16) . . ?
C12 C16 Ru1 73.0(4) . . ?
C15 C16 Ru1 70.6(5) . . ?
C20 C16 Ru1 128.4(17) . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C12' C11' H11D 109.5 . . ?
C12' C11' H11E 109.5 . . ?
H11D C11' H11E 109.5 . . ?
C12' C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C13' C12' C16' 108.0 . . ?
C13' C12' C11' 136.9 . . ?
C16' C12' C11' 114.9 . . ?
C13' C12' Ru1 73.1(4) . . ?
C16' C12' Ru1 72.7(4) . . ?
C11' C12' Ru1 123.2(4) . . ?
C14' C13' C12' 108.0 . . ?
C14' C13' C17' 131.5(17) . . ?
C12' C13' C17' 120.2(17) . . ?
C14' C13' Ru1 74.9(4) . . ?
C12' C13' Ru1 68.3(4) . . ?
C17' C13' Ru1 125.8(18) . . ?
C13' C14' C15' 108.0 . . ?
C13' C14' C18' 123.7(18) . . ?
C15' C14' C18' 128.3(18) . . ?
C13' C14' Ru1 67.9(4) . . ?
C15' C14' Ru1 71.5(4) . . ?
C18' C14' Ru1 127.6(16) . . ?
C16' C15' C14' 108.0 . . ?
C16' C15' C19' 133.2(19) . . ?
C14' C15' C19' 118.8(19) . . ?
C16' C15' Ru1 67.7(4) . . ?
C14' C15' Ru1 71.9(4) . . ?
C19' C15' Ru1 127.3(18) . . ?
C15' C16' C12' 108.0 . . ?
C15' C16' C20' 117(2) . . ?
C12' C16' C20' 135(2) . . ?
C15' C16' Ru1 75.0(4) . . ?
C12' C16' Ru1 68.6(4) . . ?
C20' C16' Ru1 127(2) . . ?
C13' C17' H17D 109.5 . . ?
C13' C17' H17E 109.5 . . ?
H17D C17' H17E 109.5 . . ?
C13' C17' H17F 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C14' C18' H18D 109.5 . . ?
C14' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C14' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
C15' C19' H19D 109.5 . . ?
C15' C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
C15' C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
C16' C20' H20D 109.5 . . ?
C16' C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
C16' C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C27 Ru1 C27' 43(2) . . ?
C27 Ru1 C12' 106.3(10) . . ?
C27' Ru1 C12' 98(2) . . ?
C27 Ru1 C16' 104.6(10) . . ?
C27' Ru1 C16' 124(2) . . ?
C12' Ru1 C16' 38.7(3) . . ?
C27 Ru1 C15 150.4(11) . . ?
C27' Ru1 C15 158(2) . . ?
C12' Ru1 C15 63.7(5) . . ?
C16' Ru1 C15 49.2(5) . . ?
C27 Ru1 C13' 138.1(10) . . ?
C27' Ru1 C13' 108(3) . . ?
C12' Ru1 C13' 38.6(3) . . ?
C16' Ru1 C13' 63.8(5) . . ?
C15 Ru1 C13' 50.5(5) . . ?
C27 Ru1 C16 113.3(10) . . ?
C27' Ru1 C16 138(2) . . ?
C12' Ru1 C16 50.1(6) . . ?
C16' Ru1 C16 14.9(5) . . ?
C15 Ru1 C16 38.0(3) . . ?
C13' Ru1 C16 66.2(6) . . ?
C27 Ru1 C14 154.2(9) . . ?
C27' Ru1 C14 122(3) . . ?
C12' Ru1 C14 50.4(5) . . ?
C16' Ru1 C14 65.2(5) . . ?
C15 Ru1 C14 37.7(3) . . ?
C13' Ru1 C14 16.3(5) . . ?
C16 Ru1 C14 63.0(5) . . ?
C27 Ru1 C12 98.6(10) . . ?
C27' Ru1 C12 104(2) . . ?
C12' Ru1 C12 18.2(6) . . ?
C16' Ru1 C12 23.5(5) . . ?
C15 Ru1 C12 62.9(5) . . ?
C13' Ru1 C12 53.9(6) . . ?
C16 Ru1 C12 37.5(3) . . ?
C14 Ru1 C12 62.2(5) . . ?
C27 Ru1 C13 117.4(10) . . ?
C27' Ru1 C13 96(2) . . ?
C12' Ru1 C13 19.1(6) . . ?
C16' Ru1 C13 54.2(6) . . ?
C15 Ru1 C13 62.5(5) . . ?
C13' Ru1 C13 22.1(5) . . ?
C16 Ru1 C13 62.4(5) . . ?
C14 Ru1 C13 37.1(3) . . ?
C12 Ru1 C13 37.0(3) . . ?
C27 Ru1 C15' 133.1(11) . . ?
C27' Ru1 C15' 160(2) . . ?
C12' Ru1 C15' 63.2(5) . . ?
C16' Ru1 C15' 37.3(3) . . ?
C15 Ru1 C15' 17.4(6) . . ?
C13' Ru1 C15' 62.3(5) . . ?
C16 Ru1 C15' 23.5(5) . . ?
C14 Ru1 C15' 52.4(6) . . ?
C12 Ru1 C15' 56.4(4) . . ?
C13 Ru1 C15' 68.3(5) . . ?
C27 Ru1 B1 88.8(13) . . ?
C27' Ru1 B1 109(3) . . ?
C12' Ru1 B1 151.1(11) . . ?
C16' Ru1 B1 114.3(11) . . ?
C15 Ru1 B1 91.0(11) . . ?
C13' Ru1 B1 133.1(11) . . ?
C16 Ru1 B1 101.5(11) . . ?
C14 Ru1 B1 117.0(11) . . ?
C12 Ru1 B1 137.6(11) . . ?
C13 Ru1 B1 152.7(11) . . ?
C15' Ru1 B1 88.4(11) . . ?
C27 Ru2 C27' 42(2) . . ?
C27 Ru2 C2' 137.6(11) . . ?
C27' Ru2 C2' 157(2) . . ?
C27 Ru2 C5 108.3(10) . . ?
C27' Ru2 C5 102(2) . . ?
C2' Ru2 C5 55.9(6) . . ?
C27 Ru2 C3' 99.1(11) . . ?
C27' Ru2 C3' 126(2) . . ?
C2' Ru2 C3' 39.3(4) . . ?
C5 Ru2 C3' 48.8(8) . . ?
C27 Ru2 C4 105.7(11) . . ?
C27' Ru2 C4 127(2) . . ?
C2' Ru2 C4 35.2(5) . . ?
C5 Ru2 C4 39.2(3) . . ?
C3' Ru2 C4 10.6(8) . . ?
C27 Ru2 C6 140.8(10) . . ?
C27' Ru2 C6 112(2) . . ?
C2' Ru2 C6 53.0(7) . . ?
C5 Ru2 C6 38.9(3) . . ?
C3' Ru2 C6 74.4(6) . . ?
C4 Ru2 C6 64.0(4) . . ?
C27 Ru2 C6' 147.5(10) . . ?
C27' Ru2 C6' 125(2) . . ?
C2' Ru2 C6' 38.8(4) . . ?
C5 Ru2 C6' 39.4(5) . . ?
C3' Ru2 C6' 64.0(6) . . ?
C4 Ru2 C6' 54.1(6) . . ?
C6 Ru2 C6' 14.3(8) . . ?
C27 Ru2 B1 89.3(13) . . ?
C27' Ru2 B1 108(3) . . ?
C2' Ru2 B1 94.6(12) . . ?
C5 Ru2 B1 149.9(11) . . ?
C3' Ru2 B1 105.6(12) . . ?
C4 Ru2 B1 113.4(12) . . ?
C6 Ru2 B1 129.8(11) . . ?
C6' Ru2 B1 121.1(12) . . ?
C27 Ru2 C3 133.3(11) . . ?
C27' Ru2 C3 163(2) . . ?
C2' Ru2 C3 8.7(8) . . ?
C5 Ru2 C3 63.0(4) . . ?
C3' Ru2 C3 38.5(5) . . ?
C4 Ru2 C3 36.9(3) . . ?
C6 Ru2 C3 61.5(4) . . ?
C6' Ru2 C3 47.2(7) . . ?
B1 Ru2 C3 87.1(11) . . ?
C27 Ru2 C4' 88.2(11) . . ?
C27' Ru2 C4' 96(2) . . ?
C2' Ru2 C4' 63.0(6) . . ?
C5 Ru2 C4' 24.4(7) . . ?
C3' Ru2 C4' 37.0(3) . . ?
C4 Ru2 C4' 31.9(7) . . ?
C6 Ru2 C4' 63.2(6) . . ?
C6' Ru2 C4' 61.4(5) . . ?
B1 Ru2 C4' 141.0(12) . . ?
C3 Ru2 C4' 67.2(5) . . ?
C27 Ru2 C2 167.3(10) . . ?
C27' Ru2 C2 145(2) . . ?
C2' Ru2 C2 30.4(7) . . ?
C5 Ru2 C2 62.8(4) . . ?
C3' Ru2 C2 68.3(5) . . ?
C4 Ru2 C2 61.6(4) . . ?
C6 Ru2 C2 36.6(3) . . ?
C6' Ru2 C2 25.7(6) . . ?
B1 Ru2 C2 95.3(11) . . ?
C3 Ru2 C2 35.7(2) . . ?
C4' Ru2 C2 80.8(4) . . ?
O1 B1 O2 104(3) . . ?
O1 B1 Ru2 123(3) . . ?
O2 B1 Ru2 122(3) . . ?
O1 B1 Ru1 120(2) . . ?
O2 B1 Ru1 120(3) . . ?
Ru2 B1 Ru1 64.3(11) . . ?
C21 O1 B1 115(3) . . ?
C22 O2 B1 104(3) . . ?
C23 C22 C21 120.0 . . ?
C23 C22 O2 129.1(18) . . ?
C21 C22 O2 110.9(18) . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C21 C26 C25 120.0 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
O1 C21 C26 134(2) . . ?
O1 C21 C22 106(2) . . ?
C26 C21 C22 120.0 . . ?
O3 C27 Ru2 138(3) . . ?
O3 C27 Ru1 138(3) . . ?
Ru2 C27 Ru1 83.8(12) . . ?
O1' B1' O2' 106(6) . . ?
O1' B1' Ru1 120(4) . . ?
O2' B1' Ru1 122(4) . . ?
O1' B1' Ru2 120(4) . . ?
O2' B1' Ru2 123(4) . . ?
Ru1 B1' Ru2 60(2) . . ?
B1' O1' C21' 108(4) . . ?
C22' O2' B1' 105(4) . . ?
O2' C22' C23' 127(3) . . ?
O2' C22' C21' 113(3) . . ?
C23' C22' C21' 120.0 . . ?
C22' C23' C24' 120.0 . . ?
C22' C23' H23' 120.0 . . ?
C24' C23' H23' 120.0 . . ?
C23' C24' C25' 120.0 . . ?
C23' C24' H24' 120.0 . . ?
C25' C24' H24' 120.0 . . ?
C26' C25' C24' 120.0 . . ?
C26' C25' H25' 120.0 . . ?
C24' C25' H25' 120.0 . . ?
C21' C26' C25' 120.0 . . ?
C21' C26' H26' 120.0 . . ?
C25' C26' H26' 120.0 . . ?
C26' C21' C22' 120.0 . . ?
C26' C21' O1' 132(3) . . ?
C22' C21' O1' 108(3) . . ?
O3' C27' Ru1 140(7) . . ?
O3' C27' Ru2 140(7) . . ?
Ru1 C27' Ru2 79(3) . . ?

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
C1 C2 C3 C4 -177.9 . . . . ?
C6 C2 C3 C4 0.0 . . . . ?
Ru2 C2 C3 C4 56.3(4) . . . . ?
C1 C2 C3 C7 0.5(16) . . . . ?
C6 C2 C3 C7 178.4(16) . . . . ?
Ru2 C2 C3 C7 -125.3(18) . . . . ?
C1 C2 C3 Ru2 125.8(4) . . . . ?
C6 C2 C3 Ru2 -56.3(4) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C7 C3 C4 C5 -178.3(18) . . . . ?
Ru2 C3 C4 C5 60.7(4) . . . . ?
C2 C3 C4 C8 178.4(19) . . . . ?
C7 C3 C4 C8 0(3) . . . . ?
Ru2 C3 C4 C8 -121(2) . . . . ?
C2 C3 C4 Ru2 -60.7(4) . . . . ?
C7 C3 C4 Ru2 121.0(19) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C8 C4 C5 C6 -178(2) . . . . ?
Ru2 C4 C5 C6 67.4(5) . . . . ?
C3 C4 C5 C9 176(2) . . . . ?
C8 C4 C5 C9 -2(3) . . . . ?
Ru2 C4 C5 C9 -117(2) . . . . ?
C3 C4 C5 Ru2 -67.4(5) . . . . ?
C8 C4 C5 Ru2 115(2) . . . . ?
C4 C5 C6 C2 0.0 . . . . ?
C9 C5 C6 C2 -174(3) . . . . ?
Ru2 C5 C6 C2 66.6(4) . . . . ?
C4 C5 C6 C10 170.9(19) . . . . ?
C9 C5 C6 C10 -3(3) . . . . ?
Ru2 C5 C6 C10 -122(2) . . . . ?
C4 C5 C6 Ru2 -66.6(4) . . . . ?
C9 C5 C6 Ru2 119(3) . . . . ?
C1 C2 C6 C5 178.2 . . . . ?
C3 C2 C6 C5 0.0 . . . . ?
Ru2 C2 C6 C5 -59.6(5) . . . . ?
C1 C2 C6 C10 8(2) . . . . ?
C3 C2 C6 C10 -170(2) . . . . ?
Ru2 C2 C6 C10 130(2) . . . . ?
C1 C2 C6 Ru2 -122.2(5) . . . . ?
C3 C2 C6 Ru2 59.6(5) . . . . ?
C6' C2' C3' C4' 0.0 . . . . ?
C1' C2' C3' C4' -179.1 . . . . ?
Ru2 C2' C3' C4' 67.8(6) . . . . ?
C6' C2' C3' C7' 162(3) . . . . ?
C1' C2' C3' C7' -17(3) . . . . ?
Ru2 C2' C3' C7' -130(3) . . . . ?
C6' C2' C3' Ru2 -67.8(6) . . . . ?
C1' C2' C3' Ru2 113.1(6) . . . . ?
C2' C3' C4' C5' 0.0 . . . . ?
C7' C3' C4' C5' -155(4) . . . . ?
Ru2 C3' C4' C5' 61.1(6) . . . . ?
C2' C3' C4' C8' 168(2) . . . . ?
C7' C3' C4' C8' 13(4) . . . . ?
Ru2 C3' C4' C8' -131(2) . . . . ?
C2' C3' C4' Ru2 -61.1(6) . . . . ?
C7' C3' C4' Ru2 144(4) . . . . ?
C3' C4' C5' C6' 0.0 . . . . ?
C8' C4' C5' C6' -164(3) . . . . ?
Ru2 C4' C5' C6' 56.2(5) . . . . ?
C3' C4' C5' C9' -177(2) . . . . ?
C8' C4' C5' C9' 19(3) . . . . ?
Ru2 C4' C5' C9' -121(2) . . . . ?
C3' C4' C5' Ru2 -56.2(5) . . . . ?
C8' C4' C5' Ru2 140(3) . . . . ?
C4' C5' C6' C2' 0.0 . . . . ?
C9' C5' C6' C2' 175(4) . . . . ?
Ru2 C5' C6' C2' 59.2(5) . . . . ?
C4' C5' C6' C10' -169(2) . . . . ?
C9' C5' C6' C10' 6(4) . . . . ?
Ru2 C5' C6' C10' -110(2) . . . . ?
C4' C5' C6' Ru2 -59.2(5) . . . . ?
C9' C5' C6' Ru2 115(4) . . . . ?
C3' C2' C6' C5' 0.0 . . . . ?
C1' C2' C6' C5' 179.5 . . . . ?
Ru2 C2' C6' C5' -66.5(6) . . . . ?
C3' C2' C6' C10' 160(4) . . . . ?
C1' C2' C6' C10' -20(4) . . . . ?
Ru2 C2' C6' C10' 94(4) . . . . ?
C3' C2' C6' Ru2 66.5(6) . . . . ?
C1' C2' C6' Ru2 -114.0(6) . . . . ?
C16 C12 C13 C14 0.0 . . . . ?
C11 C12 C13 C14 179.6 . . . . ?
Ru1 C12 C13 C14 -60.6(4) . . . . ?
C16 C12 C13 C17 179(2) . . . . ?
C11 C12 C13 C17 -1(2) . . . . ?
Ru1 C12 C13 C17 118(2) . . . . ?
C16 C12 C13 Ru1 60.6(4) . . . . ?
C11 C12 C13 Ru1 -119.8(4) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C17 C13 C14 C15 -178(5) . . . . ?
Ru1 C13 C14 C15 -61.0(4) . . . . ?
C12 C13 C14 C18 179(3) . . . . ?
C17 C13 C14 C18 1(7) . . . . ?
Ru1 C13 C14 C18 118(3) . . . . ?
C12 C13 C14 Ru1 61.0(4) . . . . ?
C17 C13 C14 Ru1 -117(5) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C18 C14 C15 C16 -177(6) . . . . ?
Ru1 C14 C15 C16 -63.0(5) . . . . ?
C13 C14 C15 C19 -176(2) . . . . ?
C18 C14 C15 C19 7(6) . . . . ?
Ru1 C14 C15 C19 121(2) . . . . ?
C13 C14 C15 Ru1 63.0(5) . . . . ?
C18 C14 C15 Ru1 -114(6) . . . . ?
C13 C12 C16 C15 0.0 . . . . ?
C11 C12 C16 C15 -179.7 . . . . ?
Ru1 C12 C16 C15 62.4(5) . . . . ?
C13 C12 C16 C20 172.3(18) . . . . ?
C11 C12 C16 C20 -7.3(18) . . . . ?
Ru1 C12 C16 C20 -125(2) . . . . ?
C13 C12 C16 Ru1 -62.4(5) . . . . ?
C11 C12 C16 Ru1 118.0(5) . . . . ?
C14 C15 C16 C12 0.0 . . . . ?
C19 C15 C16 C12 176(2) . . . . ?
Ru1 C15 C16 C12 -63.9(4) . . . . ?
C14 C15 C16 C20 -171.9(19) . . . . ?
C19 C15 C16 C20 4(3) . . . . ?
Ru1 C15 C16 C20 124(2) . . . . ?
C14 C15 C16 Ru1 63.9(4) . . . . ?
C19 C15 C16 Ru1 -120(2) . . . . ?
C16' C12' C13' C14' 0.0 . . . . ?
C11' C12' C13' C14' 174.3 . . . . ?
Ru1 C12' C13' C14' -64.9(4) . . . . ?
C16' C12' C13' C17' -175.3(19) . . . . ?
C11' C12' C13' C17' -1.1(19) . . . . ?
Ru1 C12' C13' C17' 120(2) . . . . ?
C16' C12' C13' Ru1 64.9(4) . . . . ?
C11' C12' C13' Ru1 -120.8(4) . . . . ?
C12' C13' C14' C15' 0.0 . . . . ?
C17' C13' C14' C15' 175(2) . . . . ?
Ru1 C13' C14' C15' -60.6(5) . . . . ?
C12' C13' C14' C18' -178.0(18) . . . . ?
C17' C13' C14' C18' -3(3) . . . . ?
Ru1 C13' C14' C18' 121.4(19) . . . . ?
C12' C13' C14' Ru1 60.6(5) . . . . ?
C17' C13' C14' Ru1 -125(2) . . . . ?
C13' C14' C15' C16' 0.0 . . . . ?
C18' C14' C15' C16' 177.9(19) . . . . ?
Ru1 C14' C15' C16' -58.3(4) . . . . ?
C13' C14' C15' C19' -178.4(18) . . . . ?
C18' C14' C15' C19' -1(3) . . . . ?
Ru1 C14' C15' C19' 123(2) . . . . ?
C13' C14' C15' Ru1 58.3(4) . . . . ?
C18' C14' C15' Ru1 -124(2) . . . . ?
C14' C15' C16' C12' 0.0 . . . . ?
C19' C15' C16' C12' 178(2) . . . . ?
Ru1 C15' C16' C12' -61.0(4) . . . . ?
C14' C15' C16' C20' -175(2) . . . . ?
C19' C15' C16' C20' 3(4) . . . . ?
Ru1 C15' C16' C20' 124(2) . . . . ?
C14' C15' C16' Ru1 61.0(4) . . . . ?
C19' C15' C16' Ru1 -121(2) . . . . ?
C13' C12' C16' C15' 0.0 . . . . ?
C11' C12' C16' C15' -175.7 . . . . ?
Ru1 C12' C16' C15' 65.1(5) . . . . ?
C13' C12' C16' C20' 174(3) . . . . ?
C11' C12' C16' C20' -2(3) . . . . ?
Ru1 C12' C16' C20' -121(3) . . . . ?
C13' C12' C16' Ru1 -65.1(5) . . . . ?
C11' C12' C16' Ru1 119.2(5) . . . . ?
C13' C12' Ru1 C27 -151.2(10) . . . . ?
C16' C12' Ru1 C27 93.2(10) . . . . ?
C11' C12' Ru1 C27 -15.7(11) . . . . ?
C13' C12' Ru1 C27' -108(3) . . . . ?
C16' C12' Ru1 C27' 136(3) . . . . ?
C11' C12' Ru1 C27' 27(3) . . . . ?
C13' C12' Ru1 C16' 115.6(2) . . . . ?
C11' C12' Ru1 C16' -108.9(2) . . . . ?
C13' C12' Ru1 C15 58.8(6) . . . . ?
C16' C12' Ru1 C15 -56.8(6) . . . . ?
C11' C12' Ru1 C15 -165.7(7) . . . . ?
C16' C12' Ru1 C13' -115.6(2) . . . . ?
C11' C12' Ru1 C13' 135.5(2) . . . . ?
C13' C12' Ru1 C16 101.8(7) . . . . ?
C16' C12' Ru1 C16 -13.9(8) . . . . ?
C11' C12' Ru1 C16 -122.7(8) . . . . ?
C13' C12' Ru1 C14 16.2(8) . . . . ?
C16' C12' Ru1 C14 -99.4(7) . . . . ?
C11' C12' Ru1 C14 151.7(9) . . . . ?
C13' C12' Ru1 C12 141.6(19) . . . . ?
C16' C12' Ru1 C12 26(2) . . . . ?
C11' C12' Ru1 C12 -82.8(19) . . . . ?
C13' C12' Ru1 C13 -23(2) . . . . ?
C16' C12' Ru1 C13 -138.5(18) . . . . ?
C11' C12' Ru1 C13 113(2) . . . . ?
C13' C12' Ru1 C15' 78.3(3) . . . . ?
C16' C12' Ru1 C15' -37.33(15) . . . . ?
C11' C12' Ru1 C15' -146.19(14) . . . . ?
C13' C12' Ru1 B1 90(2) . . . . ?
C16' C12' Ru1 B1 -26(2) . . . . ?
C11' C12' Ru1 B1 -135(2) . . . . ?
C15' C16' Ru1 C27 145.4(10) . . . . ?
C12' C16' Ru1 C27 -97.9(10) . . . . ?
C20' C16' Ru1 C27 33(3) . . . . ?
C15' C16' Ru1 C27' -172(3) . . . . ?
C12' C16' Ru1 C27' -56(3) . . . . ?
C20' C16' Ru1 C27' 75(4) . . . . ?
C15' C16' Ru1 C12' -116.7(2) . . . . ?
C20' C16' Ru1 C12' 131(3) . . . . ?
C15' C16' Ru1 C15 -18.7(8) . . . . ?
C12' C16' Ru1 C15 98.0(7) . . . . ?
C20' C16' Ru1 C15 -131(3) . . . . ?
C15' C16' Ru1 C13' -77.9(3) . . . . ?
C12' C16' Ru1 C13' 38.82(15) . . . . ?
C20' C16' Ru1 C13' 169(3) . . . . ?
C15' C16' Ru1 C16 18(3) . . . . ?
C12' C16' Ru1 C16 135(3) . . . . ?
C20' C16' Ru1 C16 -95(4) . . . . ?
C15' C16' Ru1 C14 -59.9(5) . . . . ?
C12' C16' Ru1 C14 56.8(5) . . . . ?
C20' C16' Ru1 C14 -172(3) . . . . ?
C15' C16' Ru1 C12 -136.8(16) . . . . ?
C12' C16' Ru1 C12 -20.1(17) . . . . ?
C20' C16' Ru1 C12 111(3) . . . . ?
C15' C16' Ru1 C13 -101.2(6) . . . . ?
C12' C16' Ru1 C13 15.5(7) . . . . ?
C20' C16' Ru1 C13 146(3) . . . . ?
C12' C16' Ru1 C15' 116.7(2) . . . . ?
C20' C16' Ru1 C15' -113(3) . . . . ?
C15' C16' Ru1 B1 50.0(12) . . . . ?
C12' C16' Ru1 B1 166.7(12) . . . . ?
C20' C16' Ru1 B1 -63(3) . . . . ?
C16 C15 Ru1 C27 -18.2(18) . . . . ?
C14 C15 Ru1 C27 -134.8(19) . . . . ?
C19 C15 Ru1 C27 109(3) . . . . ?
C16 C15 Ru1 C27' 94(6) . . . . ?
C14 C15 Ru1 C27' -23(6) . . . . ?
C19 C15 Ru1 C27' -139(7) . . . . ?
C16 C15 Ru1 C12' 58.1(6) . . . . ?
C14 C15 Ru1 C12' -58.5(6) . . . . ?
C19 C15 Ru1 C12' -175(3) . . . . ?
C16 C15 Ru1 C16' 14.4(8) . . . . ?
C14 C15 Ru1 C16' -102.1(7) . . . . ?
C19 C15 Ru1 C16' 141(3) . . . . ?
C16 C15 Ru1 C13' 101.8(7) . . . . ?
C14 C15 Ru1 C13' -14.7(7) . . . . ?
C19 C15 Ru1 C13' -131(3) . . . . ?
C14 C15 Ru1 C16 -116.5(2) . . . . ?
C19 C15 Ru1 C16 127(2) . . . . ?
C16 C15 Ru1 C14 116.5(2) . . . . ?
C19 C15 Ru1 C14 -116(2) . . . . ?
C16 C15 Ru1 C12 37.67(17) . . . . ?
C14 C15 Ru1 C12 -78.9(2) . . . . ?
C19 C15 Ru1 C12 165(2) . . . . ?
C16 C15 Ru1 C13 79.5(3) . . . . ?
C14 C15 Ru1 C13 -37.08(16) . . . . ?
C19 C15 Ru1 C13 -154(2) . . . . ?
C16 C15 Ru1 C15' -26(2) . . . . ?
C14 C15 Ru1 C15' -143(2) . . . . ?
C19 C15 Ru1 C15' 101(3) . . . . ?
C16 C15 Ru1 B1 -107.5(11) . . . . ?
C14 C15 Ru1 B1 136.0(11) . . . . ?
C19 C15 Ru1 B1 19(3) . . . . ?
C14' C13' Ru1 C27 160.7(15) . . . . ?
C12' C13' Ru1 C27 43.8(15) . . . . ?
C17' C13' Ru1 C27 -69(3) . . . . ?
C14' C13' Ru1 C27' -163(2) . . . . ?
C12' C13' Ru1 C27' 80(2) . . . . ?
C17' C13' Ru1 C27' -32(3) . . . . ?
C14' C13' Ru1 C12' 116.9(2) . . . . ?
C17' C13' Ru1 C12' -112(2) . . . . ?
C14' C13' Ru1 C16' 78.0(2) . . . . ?
C12' C13' Ru1 C16' -38.91(17) . . . . ?
C17' C13' Ru1 C16' -151(2) . . . . ?
C14' C13' Ru1 C15 20.5(7) . . . . ?
C12' C13' Ru1 C15 -96.4(6) . . . . ?
C17' C13' Ru1 C15 151(2) . . . . ?
C14' C13' Ru1 C16 61.7(5) . . . . ?
C12' C13' Ru1 C16 -55.2(5) . . . . ?
C17' C13' Ru1 C16 -168(2) . . . . ?
C14' C13' Ru1 C14 -13(3) . . . . ?
C12' C13' Ru1 C14 -130(2) . . . . ?
C17' C13' Ru1 C14 118(4) . . . . ?
C14' C13' Ru1 C12 103.0(5) . . . . ?
C12' C13' Ru1 C12 -13.9(7) . . . . ?
C17' C13' Ru1 C12 -126(2) . . . . ?
C14' C13' Ru1 C13 136.7(17) . . . . ?
C12' C13' Ru1 C13 19.8(19) . . . . ?
C17' C13' Ru1 C13 -93(3) . . . . ?
C14' C13' Ru1 C15' 35.97(15) . . . . ?
C12' C13' Ru1 C15' -80.9(3) . . . . ?
C17' C13' Ru1 C15' 167(2) . . . . ?
C14' C13' Ru1 B1 -21.7(15) . . . . ?
C12' C13' Ru1 B1 -138.5(16) . . . . ?
C17' C13' Ru1 B1 109(3) . . . . ?
C12 C16 Ru1 C27 -73.0(10) . . . . ?
C15 C16 Ru1 C27 170.3(10) . . . . ?
C20 C16 Ru1 C27 47(2) . . . . ?
C12 C16 Ru1 C27' -29(4) . . . . ?
C15 C16 Ru1 C27' -146(4) . . . . ?
C20 C16 Ru1 C27' 91(4) . . . . ?
C12 C16 Ru1 C12' 19.2(8) . . . . ?
C15 C16 Ru1 C12' -97.5(6) . . . . ?
C20 C16 Ru1 C12' 139(2) . . . . ?
C12 C16 Ru1 C16' -16(3) . . . . ?
C15 C16 Ru1 C16' -133(3) . . . . ?
C20 C16 Ru1 C16' 104(4) . . . . ?
C12 C16 Ru1 C15 116.7(2) . . . . ?
C20 C16 Ru1 C15 -123(2) . . . . ?
C12 C16 Ru1 C13' 61.1(5) . . . . ?
C15 C16 Ru1 C13' -55.6(5) . . . . ?
C20 C16 Ru1 C13' -179(2) . . . . ?
C12 C16 Ru1 C14 78.8(2) . . . . ?
C15 C16 Ru1 C14 -37.92(17) . . . . ?
C20 C16 Ru1 C14 -161(2) . . . . ?
C15 C16 Ru1 C12 -116.7(2) . . . . ?
C20 C16 Ru1 C12 120(2) . . . . ?
C12 C16 Ru1 C13 36.88(15) . . . . ?
C15 C16 Ru1 C13 -79.8(3) . . . . ?
C20 C16 Ru1 C13 157(2) . . . . ?
C12 C16 Ru1 C15' 136.0(16) . . . . ?
C15 C16 Ru1 C15' 19.2(18) . . . . ?
C20 C16 Ru1 C15' -104(3) . . . . ?
C12 C16 Ru1 B1 -166.6(11) . . . . ?
C15 C16 Ru1 B1 76.7(11) . . . . ?
C20 C16 Ru1 B1 -47(2) . . . . ?
C13 C14 Ru1 C27 9(2) . . . . ?
C15 C14 Ru1 C27 126(2) . . . . ?
C18 C14 Ru1 C27 -85(4) . . . . ?
C13 C14 Ru1 C27' 53(3) . . . . ?
C15 C14 Ru1 C27' 170(3) . . . . ?
C18 C14 Ru1 C27' -41(4) . . . . ?
C13 C14 Ru1 C12' -20.0(8) . . . . ?
C15 C14 Ru1 C12' 97.4(7) . . . . ?
C18 C14 Ru1 C12' -113(3) . . . . ?
C13 C14 Ru1 C16' -62.8(5) . . . . ?
C15 C14 Ru1 C16' 54.6(5) . . . . ?
C18 C14 Ru1 C16' -156(3) . . . . ?
C13 C14 Ru1 C15 -117.4(3) . . . . ?
C18 C14 Ru1 C15 149(3) . . . . ?
C13 C14 Ru1 C13' 18(3) . . . . ?
C15 C14 Ru1 C13' 136(2) . . . . ?
C18 C14 Ru1 C13' -75(4) . . . . ?
C13 C14 Ru1 C16 -79.2(3) . . . . ?
C15 C14 Ru1 C16 38.22(15) . . . . ?
C18 C14 Ru1 C16 -173(3) . . . . ?
C13 C14 Ru1 C12 -36.76(15) . . . . ?
C15 C14 Ru1 C12 80.7(3) . . . . ?
C18 C14 Ru1 C12 -130(3) . . . . ?
C15 C14 Ru1 C13 117.4(3) . . . . ?
C18 C14 Ru1 C13 -93(3) . . . . ?
C13 C14 Ru1 C15' -104.2(5) . . . . ?
C15 C14 Ru1 C15' 13.3(7) . . . . ?
C18 C14 Ru1 C15' 162(3) . . . . ?
C13 C14 Ru1 B1 -168.7(13) . . . . ?
C15 C14 Ru1 B1 -51.2(12) . . . . ?
C18 C14 Ru1 B1 98(3) . . . . ?
C16 C12 Ru1 C27 117.3(10) . . . . ?
C13 C12 Ru1 C27 -124.9(10) . . . . ?
C11 C12 Ru1 C27 2.5(10) . . . . ?
C16 C12 Ru1 C27' 160(3) . . . . ?
C13 C12 Ru1 C27' -82(3) . . . . ?
C11 C12 Ru1 C27' 46(3) . . . . ?
C16 C12 Ru1 C12' -126.1(19) . . . . ?
C13 C12 Ru1 C12' -8(2) . . . . ?
C11 C12 Ru1 C12' 119(2) . . . . ?
C16 C12 Ru1 C16' 10.4(18) . . . . ?
C13 C12 Ru1 C16' 128.2(16) . . . . ?
C11 C12 Ru1 C16' -104.4(17) . . . . ?
C16 C12 Ru1 C15 -38.19(15) . . . . ?
C13 C12 Ru1 C15 79.6(3) . . . . ?
C11 C12 Ru1 C15 -153.06(13) . . . . ?
C16 C12 Ru1 C13' -97.5(6) . . . . ?
C13 C12 Ru1 C13' 20.3(7) . . . . ?
C11 C12 Ru1 C13' 147.6(7) . . . . ?
C13 C12 Ru1 C16 117.8(3) . . . . ?
C11 C12 Ru1 C16 -114.9(2) . . . . ?
C16 C12 Ru1 C14 -80.9(3) . . . . ?
C13 C12 Ru1 C14 36.87(15) . . . . ?
C11 C12 Ru1 C14 164.21(8) . . . . ?
C16 C12 Ru1 C13 -117.8(3) . . . . ?
C11 C12 Ru1 C13 127.3(2) . . . . ?
C16 C12 Ru1 C15' -19.4(7) . . . . ?
C13 C12 Ru1 C15' 98.4(6) . . . . ?
C11 C12 Ru1 C15' -134.3(8) . . . . ?
C16 C12 Ru1 B1 19.7(16) . . . . ?
C13 C12 Ru1 B1 137.5(17) . . . . ?
C11 C12 Ru1 B1 -95.2(16) . . . . ?
C14 C13 Ru1 C27 -175.8(12) . . . . ?
C12 C13 Ru1 C27 66.0(11) . . . . ?
C17 C13 Ru1 C27 -25(3) . . . . ?
C14 C13 Ru1 C27' -137(2) . . . . ?
C12 C13 Ru1 C27' 105(2) . . . . ?
C17 C13 Ru1 C27' 13(4) . . . . ?
C14 C13 Ru1 C12' 126.2(18) . . . . ?
C12 C13 Ru1 C12' 8(2) . . . . ?
C17 C13 Ru1 C12' -83(3) . . . . ?
C14 C13 Ru1 C16' 95.6(6) . . . . ?
C12 C13 Ru1 C16' -22.7(6) . . . . ?
C17 C13 Ru1 C16' -114(3) . . . . ?
C14 C13 Ru1 C15 37.73(19) . . . . ?
C12 C13 Ru1 C15 -80.5(3) . . . . ?
C17 C13 Ru1 C15 -172(3) . . . . ?
C14 C13 Ru1 C13' -13.6(19) . . . . ?
C12 C13 Ru1 C13' -131.9(17) . . . . ?
C17 C13 Ru1 C13' 137(4) . . . . ?
C14 C13 Ru1 C16 80.8(3) . . . . ?
C12 C13 Ru1 C16 -37.44(19) . . . . ?
C17 C13 Ru1 C16 -129(3) . . . . ?
C12 C13 Ru1 C14 -118.3(2) . . . . ?
C17 C13 Ru1 C14 150(3) . . . . ?
C14 C13 Ru1 C12 118.3(2) . . . . ?
C17 C13 Ru1 C12 -91(3) . . . . ?
C14 C13 Ru1 C15' 55.8(5) . . . . ?
C12 C13 Ru1 C15' -62.5(5) . . . . ?
C17 C13 Ru1 C15' -154(3) . . . . ?
C14 C13 Ru1 B1 22(3) . . . . ?
C12 C13 Ru1 B1 -96(3) . . . . ?
C17 C13 Ru1 B1 173(3) . . . . ?
C16' C15' Ru1 C27 -48.9(12) . . . . ?
C14' C15' Ru1 C27 -167.8(13) . . . . ?
C19' C15' Ru1 C27 79(3) . . . . ?
C16' C15' Ru1 C27' 19(7) . . . . ?
C14' C15' Ru1 C27' -100(8) . . . . ?
C19' C15' Ru1 C27' 147(8) . . . . ?
C16' C15' Ru1 C12' 38.73(19) . . . . ?
C14' C15' Ru1 C12' -80.3(3) . . . . ?
C19' C15' Ru1 C12' 167(2) . . . . ?
C14' C15' Ru1 C16' -119.0(2) . . . . ?
C19' C15' Ru1 C16' 128(2) . . . . ?
C16' C15' Ru1 C15 125.9(19) . . . . ?
C14' C15' Ru1 C15 7(2) . . . . ?
C19' C15' Ru1 C15 -106(3) . . . . ?
C16' C15' Ru1 C13' 82.4(3) . . . . ?
C14' C15' Ru1 C13' -36.61(18) . . . . ?
C19' C15' Ru1 C13' -150(2) . . . . ?
C16' C15' Ru1 C16 -11.4(18) . . . . ?
C14' C15' Ru1 C16 -130.4(16) . . . . ?
C19' C15' Ru1 C16 117(3) . . . . ?
C16' C15' Ru1 C14 97.9(6) . . . . ?
C14' C15' Ru1 C14 -21.1(7) . . . . ?
C19' C15' Ru1 C14 -134(3) . . . . ?
C16' C15' Ru1 C12 19.1(8) . . . . ?
C14' C15' Ru1 C12 -99.9(6) . . . . ?
C19' C15' Ru1 C12 147(3) . . . . ?
C16' C15' Ru1 C13 58.9(5) . . . . ?
C14' C15' Ru1 C13 -60.1(5) . . . . ?
C19' C15' Ru1 C13 -173(3) . . . . ?
C16' C15' Ru1 B1 -135.7(11) . . . . ?
C14' C15' Ru1 B1 105.3(11) . . . . ?
C19' C15' Ru1 B1 -8(3) . . . . ?
C6' C2' Ru2 C27 129.4(15) . . . . ?
C3' C2' Ru2 C27 15.0(14) . . . . ?
C1' C2' Ru2 C27 -133.4(14) . . . . ?
C6' C2' Ru2 C27' 54(6) . . . . ?
C3' C2' Ru2 C27' -60(6) . . . . ?
C1' C2' Ru2 C27' 151(6) . . . . ?
C6' C2' Ru2 C5 49.7(7) . . . . ?
C3' C2' Ru2 C5 -64.7(8) . . . . ?
C1' C2' Ru2 C5 146.9(9) . . . . ?
C6' C2' Ru2 C3' 114.4(3) . . . . ?
C1' C2' Ru2 C3' -148.41(16) . . . . ?
C6' C2' Ru2 C4 98.2(12) . . . . ?
C3' C2' Ru2 C4 -16.2(14) . . . . ?
C1' C2' Ru2 C4 -164.6(15) . . . . ?
C6' C2' Ru2 C6 1.5(6) . . . . ?
C3' C2' Ru2 C6 -112.9(5) . . . . ?
C1' C2' Ru2 C6 98.7(6) . . . . ?
C3' C2' Ru2 C6' -114.4(3) . . . . ?
C1' C2' Ru2 C6' 97.2(3) . . . . ?
C6' C2' Ru2 B1 -136.5(11) . . . . ?
C3' C2' Ru2 B1 109.1(11) . . . . ?
C1' C2' Ru2 B1 -39.3(11) . . . . ?
C6' C2' Ru2 C3 -166(4) . . . . ?
C3' C2' Ru2 C3 79(4) . . . . ?
C1' C2' Ru2 C3 -69(4) . . . . ?
C6' C2' Ru2 C4' 76.9(3) . . . . ?
C3' C2' Ru2 C4' -37.44(19) . . . . ?
C1' C2' Ru2 C4' 174.15(3) . . . . ?
C6' C2' Ru2 C2 -43.8(13) . . . . ?
C3' C2' Ru2 C2 -158.2(11) . . . . ?
C1' C2' Ru2 C2 53.4(11) . . . . ?
C4 C5 Ru2 C27 -92.7(11) . . . . ?
C6 C5 Ru2 C27 152.8(11) . . . . ?
C9 C5 Ru2 C27 17(3) . . . . ?
C4 C5 Ru2 C27' -135(2) . . . . ?
C6 C5 Ru2 C27' 110(2) . . . . ?
C9 C5 Ru2 C27' -25(3) . . . . ?
C4 C5 Ru2 C2' 43.0(8) . . . . ?
C6 C5 Ru2 C2' -71.5(8) . . . . ?
C9 C5 Ru2 C2' 153(3) . . . . ?
C4 C5 Ru2 C3' -6.5(8) . . . . ?
C6 C5 Ru2 C3' -121.0(7) . . . . ?
C9 C5 Ru2 C3' 103(3) . . . . ?
C6 C5 Ru2 C4 -114.5(2) . . . . ?
C9 C5 Ru2 C4 110(3) . . . . ?
C4 C5 Ru2 C6 114.5(2) . . . . ?
C9 C5 Ru2 C6 -136(3) . . . . ?
C4 C5 Ru2 C6' 91.8(12) . . . . ?
C6 C5 Ru2 C6' -22.7(13) . . . . ?
C9 C5 Ru2 C6' -158(3) . . . . ?
C4 C5 Ru2 B1 30(2) . . . . ?
C6 C5 Ru2 B1 -84(2) . . . . ?
C9 C5 Ru2 B1 140(3) . . . . ?
C4 C5 Ru2 C3 37.30(14) . . . . ?
C6 C5 Ru2 C3 -77.2(2) . . . . ?
C9 C5 Ru2 C3 147(2) . . . . ?
C4 C5 Ru2 C4' -56.6(18) . . . . ?
C6 C5 Ru2 C4' -171.1(17) . . . . ?
C9 C5 Ru2 C4' 53(3) . . . . ?
C4 C5 Ru2 C2 77.6(2) . . . . ?
C6 C5 Ru2 C2 -36.89(15) . . . . ?
C9 C5 Ru2 C2 -173(2) . . . . ?
C4' C3' Ru2 C27 74.5(9) . . . . ?
C2' C3' Ru2 C27 -169.8(9) . . . . ?
C7' C3' Ru2 C27 -73(4) . . . . ?
C4' C3' Ru2 C27' 40(3) . . . . ?
C2' C3' Ru2 C27' 156(3) . . . . ?
C7' C3' Ru2 C27' -107(5) . . . . ?
C4' C3' Ru2 C2' -115.7(3) . . . . ?
C7' C3' Ru2 C2' 97(4) . . . . ?
C4' C3' Ru2 C5 -31.9(8) . . . . ?
C2' C3' Ru2 C5 83.8(7) . . . . ?
C7' C3' Ru2 C5 -179(4) . . . . ?
C4' C3' Ru2 C4 -55(3) . . . . ?
C2' C3' Ru2 C4 61(3) . . . . ?
C7' C3' Ru2 C4 158(5) . . . . ?
C4' C3' Ru2 C6 -65.8(4) . . . . ?
C2' C3' Ru2 C6 49.8(5) . . . . ?
C7' C3' Ru2 C6 147(4) . . . . ?
C4' C3' Ru2 C6' -76.2(3) . . . . ?
C2' C3' Ru2 C6' 39.4(2) . . . . ?
C7' C3' Ru2 C6' 137(3) . . . . ?
C4' C3' Ru2 B1 166.4(11) . . . . ?
C2' C3' Ru2 B1 -77.9(11) . . . . ?
C7' C3' Ru2 B1 19(4) . . . . ?
C4' C3' Ru2 C3 -129.4(10) . . . . ?
C2' C3' Ru2 C3 -13.7(13) . . . . ?
C7' C3' Ru2 C3 83(4) . . . . ?
C2' C3' Ru2 C4' 115.7(3) . . . . ?
C7' C3' Ru2 C4' -147(4) . . . . ?
C4' C3' Ru2 C2 -104.0(4) . . . . ?
C2' C3' Ru2 C2 11.7(6) . . . . ?
C7' C3' Ru2 C2 109(4) . . . . ?
C3 C4 Ru2 C27 -144.3(10) . . . . ?
C5 C4 Ru2 C27 99.8(10) . . . . ?
C8 C4 Ru2 C27 -28(2) . . . . ?
C3 C4 Ru2 C27' 175(3) . . . . ?
C5 C4 Ru2 C27' 59(3) . . . . ?
C8 C4 Ru2 C27' -69(4) . . . . ?
C3 C4 Ru2 C2' 14.4(14) . . . . ?
C5 C4 Ru2 C2' -101.5(13) . . . . ?
C8 C4 Ru2 C2' 131(3) . . . . ?
C3 C4 Ru2 C5 115.9(3) . . . . ?
C8 C4 Ru2 C5 -128(2) . . . . ?
C3 C4 Ru2 C3' -92(3) . . . . ?
C5 C4 Ru2 C3' 152(3) . . . . ?
C8 C4 Ru2 C3' 25(3) . . . . ?
C3 C4 Ru2 C6 76.4(3) . . . . ?
C5 C4 Ru2 C6 -39.50(15) . . . . ?
C8 C4 Ru2 C6 -167(2) . . . . ?
C3 C4 Ru2 C6' 64.4(7) . . . . ?
C5 C4 Ru2 C6' -51.5(7) . . . . ?
C8 C4 Ru2 C6' -179(3) . . . . ?
C3 C4 Ru2 B1 -48.0(11) . . . . ?
C5 C4 Ru2 B1 -163.9(12) . . . . ?
C8 C4 Ru2 B1 68(2) . . . . ?
C5 C4 Ru2 C3 -115.9(3) . . . . ?
C8 C4 Ru2 C3 116(2) . . . . ?
C3 C4 Ru2 C4' 156.8(12) . . . . ?
C5 C4 Ru2 C4' 40.9(14) . . . . ?
C8 C4 Ru2 C4' -87(2) . . . . ?
C3 C4 Ru2 C2 35.18(14) . . . . ?
C5 C4 Ru2 C2 -80.7(3) . . . . ?
C8 C4 Ru2 C2 152(2) . . . . ?
C5 C6 Ru2 C27 -43.3(16) . . . . ?
C2 C6 Ru2 C27 -159.8(17) . . . . ?
C10 C6 Ru2 C27 69(3) . . . . ?
C5 C6 Ru2 C27' -81(2) . . . . ?
C2 C6 Ru2 C27' 162(2) . . . . ?
C10 C6 Ru2 C27' 31(3) . . . . ?
C5 C6 Ru2 C2' 79.3(6) . . . . ?
C2 C6 Ru2 C2' -37.1(7) . . . . ?
C10 C6 Ru2 C2' -168(3) . . . . ?
C2 C6 Ru2 C5 -116.5(2) . . . . ?
C10 C6 Ru2 C5 112(2) . . . . ?
C5 C6 Ru2 C3' 42.0(6) . . . . ?
C2 C6 Ru2 C3' -74.4(5) . . . . ?
C10 C6 Ru2 C3' 154(3) . . . . ?
C5 C6 Ru2 C4 39.79(18) . . . . ?
C2 C6 Ru2 C4 -76.7(2) . . . . ?
C10 C6 Ru2 C4 152(2) . . . . ?
C5 C6 Ru2 C6' 83(2) . . . . ?
C2 C6 Ru2 C6' -33(2) . . . . ?
C10 C6 Ru2 C6' -164(4) . . . . ?
C5 C6 Ru2 B1 139.5(16) . . . . ?
C2 C6 Ru2 B1 23.1(15) . . . . ?
C10 C6 Ru2 B1 -108(3) . . . . ?
C5 C6 Ru2 C3 81.4(3) . . . . ?
C2 C6 Ru2 C3 -35.04(16) . . . . ?
C10 C6 Ru2 C3 -166(2) . . . . ?
C5 C6 Ru2 C4' 4.1(8) . . . . ?
C2 C6 Ru2 C4' -112.4(6) . . . . ?
C10 C6 Ru2 C4' 116(3) . . . . ?
C5 C6 Ru2 C2 116.5(2) . . . . ?
C10 C6 Ru2 C2 -131(2) . . . . ?
C5' C6' Ru2 C27 13(2) . . . . ?
C2' C6' Ru2 C27 -104(2) . . . . ?
C10' C6' Ru2 C27 113(3) . . . . ?
C5' C6' Ru2 C27' -41(3) . . . . ?
C2' C6' Ru2 C27' -158(3) . . . . ?
C10' C6' Ru2 C27' 59(4) . . . . ?
C5' C6' Ru2 C2' 116.6(3) . . . . ?
C10' C6' Ru2 C2' -143(2) . . . . ?
C5' C6' Ru2 C5 20.7(12) . . . . ?
C2' C6' Ru2 C5 -95.9(11) . . . . ?
C10' C6' Ru2 C5 121(3) . . . . ?
C5' C6' Ru2 C3' 76.6(3) . . . . ?
C2' C6' Ru2 C3' -40.0(2) . . . . ?
C10' C6' Ru2 C3' 177(2) . . . . ?
C5' C6' Ru2 C4 71.9(7) . . . . ?
C2' C6' Ru2 C4 -44.7(7) . . . . ?
C10' C6' Ru2 C4 172(3) . . . . ?
C5' C6' Ru2 C6 -59(2) . . . . ?
C2' C6' Ru2 C6 -175(2) . . . . ?
C10' C6' Ru2 C6 42(3) . . . . ?
C5' C6' Ru2 B1 169.8(14) . . . . ?
C2' C6' Ru2 B1 53.2(14) . . . . ?
C10' C6' Ru2 B1 -90(3) . . . . ?
C5' C6' Ru2 C3 119.4(6) . . . . ?
C2' C6' Ru2 C3 2.8(7) . . . . ?
C10' C6' Ru2 C3 -140(3) . . . . ?
C5' C6' Ru2 C4' 34.93(19) . . . . ?
C2' C6' Ru2 C4' -81.7(3) . . . . ?
C10' C6' Ru2 C4' 135(2) . . . . ?
C5' C6' Ru2 C2 170.4(15) . . . . ?
C2' C6' Ru2 C2 53.8(17) . . . . ?
C10' C6' Ru2 C2 -89(3) . . . . ?
C4 C3 Ru2 C27 50.6(12) . . . . ?
C2 C3 Ru2 C27 170.3(13) . . . . ?
C7 C3 Ru2 C27 -71(3) . . . . ?
C4 C3 Ru2 C27' -14(8) . . . . ?
C2 C3 Ru2 C27' 106(8) . . . . ?
C7 C3 Ru2 C27' -136(8) . . . . ?
C4 C3 Ru2 C2' -73(4) . . . . ?
C2 C3 Ru2 C2' 47(4) . . . . ?
C7 C3 Ru2 C2' 165(5) . . . . ?
C4 C3 Ru2 C5 -39.6(2) . . . . ?
C2 C3 Ru2 C5 80.1(3) . . . . ?
C7 C3 Ru2 C5 -161.6(19) . . . . ?
C4 C3 Ru2 C3' 17.2(13) . . . . ?
C2 C3 Ru2 C3' 136.9(11) . . . . ?
C7 C3 Ru2 C3' -105(2) . . . . ?
C2 C3 Ru2 C4 119.7(2) . . . . ?
C7 C3 Ru2 C4 -122(2) . . . . ?
C4 C3 Ru2 C6 -83.8(3) . . . . ?
C2 C3 Ru2 C6 35.9(2) . . . . ?
C7 C3 Ru2 C6 154.3(19) . . . . ?
C4 C3 Ru2 C6' -84.4(7) . . . . ?
C2 C3 Ru2 C6' 35.3(7) . . . . ?
C7 C3 Ru2 C6' 154(2) . . . . ?
C4 C3 Ru2 B1 136.9(11) . . . . ?
C2 C3 Ru2 B1 -103.3(11) . . . . ?
C7 C3 Ru2 B1 15(2) . . . . ?
C4 C3 Ru2 C4' -13.0(7) . . . . ?
C2 C3 Ru2 C4' 106.7(6) . . . . ?
C7 C3 Ru2 C4' -135(2) . . . . ?
C4 C3 Ru2 C2 -119.7(2) . . . . ?
C7 C3 Ru2 C2 118(2) . . . . ?
C3' C4' Ru2 C27 -107.8(10) . . . . ?
C5' C4' Ru2 C27 132.6(10) . . . . ?
C8' C4' Ru2 C27 -8(3) . . . . ?
C3' C4' Ru2 C27' -149(2) . . . . ?
C5' C4' Ru2 C27' 92(2) . . . . ?
C8' C4' Ru2 C27' -49(4) . . . . ?
C3' C4' Ru2 C2' 39.8(2) . . . . ?
C5' C4' Ru2 C2' -79.8(4) . . . . ?
C8' C4' Ru2 C2' 139(3) . . . . ?
C3' C4' Ru2 C5 106.2(17) . . . . ?
C5' C4' Ru2 C5 -13.5(19) . . . . ?
C8' C4' Ru2 C5 -154(4) . . . . ?
C5' C4' Ru2 C3' -119.6(4) . . . . ?
C8' C4' Ru2 C3' 99(3) . . . . ?
C3' C4' Ru2 C4 16.6(15) . . . . ?
C5' C4' Ru2 C4 -103.0(13) . . . . ?
C8' C4' Ru2 C4 116(3) . . . . ?
C3' C4' Ru2 C6 99.9(6) . . . . ?
C5' C4' Ru2 C6 -19.7(7) . . . . ?
C8' C4' Ru2 C6 -161(3) . . . . ?
C3' C4' Ru2 C6' 83.9(4) . . . . ?
C5' C4' Ru2 C6' -35.7(2) . . . . ?
C8' C4' Ru2 C6' -177(3) . . . . ?
C3' C4' Ru2 B1 -21.1(17) . . . . ?
C5' C4' Ru2 B1 -140.7(18) . . . . ?
C8' C4' Ru2 B1 78(4) . . . . ?
C3' C4' Ru2 C3 31.5(7) . . . . ?
C5' C4' Ru2 C3 -88.1(6) . . . . ?
C8' C4' Ru2 C3 131(3) . . . . ?
C3' C4' Ru2 C2 66.0(5) . . . . ?
C5' C4' Ru2 C2 -53.6(5) . . . . ?
C8' C4' Ru2 C2 165(3) . . . . ?
C1 C2 Ru2 C27 -162(4) . . . . ?
C3 C2 Ru2 C27 -34(4) . . . . ?
C6 C2 Ru2 C27 86(4) . . . . ?
C1 C2 Ru2 C27' 82(4) . . . . ?
C3 C2 Ru2 C27' -151(4) . . . . ?
C6 C2 Ru2 C27' -30(4) . . . . ?
C1 C2 Ru2 C2' -140.5(15) . . . . ?
C3 C2 Ru2 C2' -12.6(14) . . . . ?
C6 C2 Ru2 C2' 107.6(13) . . . . ?
C1 C2 Ru2 C5 151.14(15) . . . . ?
C3 C2 Ru2 C5 -80.9(3) . . . . ?
C6 C2 Ru2 C5 39.25(17) . . . . ?
C1 C2 Ru2 C3' -155.2(8) . . . . ?
C3 C2 Ru2 C3' -27.2(7) . . . . ?
C6 C2 Ru2 C3' 92.9(7) . . . . ?
C1 C2 Ru2 C4 -164.28(10) . . . . ?
C3 C2 Ru2 C4 -36.35(17) . . . . ?
C6 C2 Ru2 C4 83.8(3) . . . . ?
C1 C2 Ru2 C6 111.9(3) . . . . ?
C3 C2 Ru2 C6 -120.2(3) . . . . ?
C1 C2 Ru2 C6' 130.1(18) . . . . ?
C3 C2 Ru2 C6' -102.0(17) . . . . ?
C6 C2 Ru2 C6' 18.2(18) . . . . ?
C1 C2 Ru2 B1 -50.5(12) . . . . ?
C3 C2 Ru2 B1 77.4(12) . . . . ?
C6 C2 Ru2 B1 -162.4(12) . . . . ?
C1 C2 Ru2 C3 -127.9(3) . . . . ?
C6 C2 Ru2 C3 120.2(3) . . . . ?
C1 C2 Ru2 C4' 168.6(7) . . . . ?
C3 C2 Ru2 C4' -63.5(6) . . . . ?
C6 C2 Ru2 C4' 56.7(6) . . . . ?
C27 Ru2 B1 O1 72(3) . . . . ?
C27' Ru2 B1 O1 110(4) . . . . ?
C2' Ru2 B1 O1 -66(3) . . . . ?
C5 Ru2 B1 O1 -56(4) . . . . ?
C3' Ru2 B1 O1 -28(3) . . . . ?
C4 Ru2 B1 O1 -35(3) . . . . ?
C6 Ru2 B1 O1 -110(3) . . . . ?
C6' Ru2 B1 O1 -96(3) . . . . ?
C3 Ru2 B1 O1 -62(3) . . . . ?
C4' Ru2 B1 O1 -15(4) . . . . ?
C2 Ru2 B1 O1 -97(3) . . . . ?
C27 Ru2 B1 O2 -150(3) . . . . ?
C27' Ru2 B1 O2 -112(4) . . . . ?
C2' Ru2 B1 O2 72(3) . . . . ?
C5 Ru2 B1 O2 82(4) . . . . ?
C3' Ru2 B1 O2 110(3) . . . . ?
C4 Ru2 B1 O2 103(3) . . . . ?
C6 Ru2 B1 O2 28(4) . . . . ?
C6' Ru2 B1 O2 42(3) . . . . ?
C3 Ru2 B1 O2 76(3) . . . . ?
C4' Ru2 B1 O2 123(3) . . . . ?
C2 Ru2 B1 O2 42(3) . . . . ?
C27 Ru2 B1 Ru1 -38.8(12) . . . . ?
C27' Ru2 B1 Ru1 -1(3) . . . . ?
C2' Ru2 B1 Ru1 -176.6(9) . . . . ?
C5 Ru2 B1 Ru1 -166.2(15) . . . . ?
C3' Ru2 B1 Ru1 -138.1(8) . . . . ?
C4 Ru2 B1 Ru1 -145.7(7) . . . . ?
C6 Ru2 B1 Ru1 139.4(8) . . . . ?
C6' Ru2 B1 Ru1 153.2(7) . . . . ?
C3 Ru2 B1 Ru1 -172.3(9) . . . . ?
C4' Ru2 B1 Ru1 -125.1(14) . . . . ?
C2 Ru2 B1 Ru1 152.9(8) . . . . ?
C27 Ru1 B1 O1 -76(3) . . . . ?
C27' Ru1 B1 O1 -114(4) . . . . ?
C12' Ru1 B1 O1 47(4) . . . . ?
C16' Ru1 B1 O1 30(3) . . . . ?
C15 Ru1 B1 O1 75(3) . . . . ?
C13' Ru1 B1 O1 106(3) . . . . ?
C16 Ru1 B1 O1 38(3) . . . . ?
C14 Ru1 B1 O1 103(3) . . . . ?
C12 Ru1 B1 O1 26(4) . . . . ?
C13 Ru1 B1 O1 88(4) . . . . ?
C15' Ru1 B1 O1 57(3) . . . . ?
C27 Ru1 B1 O2 152(3) . . . . ?
C27' Ru1 B1 O2 114(4) . . . . ?
C12' Ru1 B1 O2 -85(4) . . . . ?
C16' Ru1 B1 O2 -103(3) . . . . ?
C15 Ru1 B1 O2 -58(3) . . . . ?
C13' Ru1 B1 O2 -27(4) . . . . ?
C16 Ru1 B1 O2 -95(3) . . . . ?
C14 Ru1 B1 O2 -29(3) . . . . ?
C12 Ru1 B1 O2 -107(3) . . . . ?
C13 Ru1 B1 O2 -44(5) . . . . ?
C15' Ru1 B1 O2 -75(3) . . . . ?
C27 Ru1 B1 Ru2 38.8(12) . . . . ?
C27' Ru1 B1 Ru2 1(3) . . . . ?
C12' Ru1 B1 Ru2 161.6(16) . . . . ?
C16' Ru1 B1 Ru2 144.3(7) . . . . ?
C15 Ru1 B1 Ru2 -170.8(8) . . . . ?
C13' Ru1 B1 Ru2 -139.6(9) . . . . ?
C16 Ru1 B1 Ru2 152.4(7) . . . . ?
C14 Ru1 B1 Ru2 -142.3(6) . . . . ?
C12 Ru1 B1 Ru2 140.3(10) . . . . ?
C13 Ru1 B1 Ru2 -157.3(18) . . . . ?
C15' Ru1 B1 Ru2 172.0(9) . . . . ?
O2 B1 O1 C21 -5(4) . . . . ?
Ru2 B1 O1 C21 139(3) . . . . ?
Ru1 B1 O1 C21 -144(2) . . . . ?
O1 B1 O2 C22 4(3) . . . . ?
Ru2 B1 O2 C22 -141(3) . . . . ?
Ru1 B1 O2 C22 142(2) . . . . ?
B1 O2 C22 C23 179(2) . . . . ?
B1 O2 C22 C21 -2(3) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
O2 C22 C23 C24 179(3) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
B1 O1 C21 C26 -178(3) . . . . ?
B1 O1 C21 C22 4(3) . . . . ?
C25 C26 C21 O1 -177(3) . . . . ?
C25 C26 C21 C22 0.0 . . . . ?
C23 C22 C21 O1 178(2) . . . . ?
O2 C22 C21 O1 -2(2) . . . . ?
C23 C22 C21 C26 0.0 . . . . ?
O2 C22 C21 C26 -180(3) . . . . ?
C27' Ru2 C27 O3 101(5) . . . . ?
C2' Ru2 C27 O3 -45(5) . . . . ?
C5 Ru2 C27 O3 14(4) . . . . ?
C3' Ru2 C27 O3 -35(4) . . . . ?
C4 Ru2 C27 O3 -27(4) . . . . ?
C6 Ru2 C27 O3 41(5) . . . . ?
C6' Ru2 C27 O3 20(5) . . . . ?
B1 Ru2 C27 O3 -141(4) . . . . ?
C3 Ru2 C27 O3 -55(4) . . . . ?
C4' Ru2 C27 O3 0(4) . . . . ?
C2 Ru2 C27 O3 -29(8) . . . . ?
C27' Ru2 C27 Ru1 -72(4) . . . . ?
C2' Ru2 C27 Ru1 141.9(10) . . . . ?
C5 Ru2 C27 Ru1 -159.1(7) . . . . ?
C3' Ru2 C27 Ru1 151.4(9) . . . . ?
C4 Ru2 C27 Ru1 159.9(7) . . . . ?
C6 Ru2 C27 Ru1 -132.1(11) . . . . ?
C6' Ru2 C27 Ru1 -153.8(13) . . . . ?
B1 Ru2 C27 Ru1 45.7(14) . . . . ?
C3 Ru2 C27 Ru1 131.1(9) . . . . ?
C4' Ru2 C27 Ru1 -173.2(10) . . . . ?
C2 Ru2 C27 Ru1 158(4) . . . . ?
C27' Ru1 C27 O3 -98(5) . . . . ?
C12' Ru1 C27 O3 -14(4) . . . . ?
C16' Ru1 C27 O3 26(4) . . . . ?
C15 Ru1 C27 O3 51(5) . . . . ?
C13' Ru1 C27 O3 -40(5) . . . . ?
C16 Ru1 C27 O3 39(4) . . . . ?
C14 Ru1 C27 O3 -36(6) . . . . ?
C12 Ru1 C27 O3 3(4) . . . . ?
C13 Ru1 C27 O3 -31(4) . . . . ?
C15' Ru1 C27 O3 55(5) . . . . ?
B1 Ru1 C27 O3 141(4) . . . . ?
C27' Ru1 C27 Ru2 76(4) . . . . ?
C12' Ru1 C27 Ru2 159.7(7) . . . . ?
C16' Ru1 C27 Ru2 -160.1(7) . . . . ?
C15 Ru1 C27 Ru2 -135.1(14) . . . . ?
C13' Ru1 C27 Ru2 133.0(10) . . . . ?
C16 Ru1 C27 Ru2 -147.3(7) . . . . ?
C14 Ru1 C27 Ru2 137.0(18) . . . . ?
C12 Ru1 C27 Ru2 176.7(8) . . . . ?
C13 Ru1 C27 Ru2 142.9(7) . . . . ?
C15' Ru1 C27 Ru2 -132.0(9) . . . . ?
B1 Ru1 C27 Ru2 -45.3(14) . . . . ?
C27 Ru1 B1' O1' 168(8) . . . . ?
C27' Ru1 B1' O1' 163(6) . . . . ?
C12' Ru1 B1' O1' -103(5) . . . . ?
C16' Ru1 B1' O1' -72(5) . . . . ?
C15 Ru1 B1' O1' -32(6) . . . . ?
C13' Ru1 B1' O1' -94(6) . . . . ?
C16 Ru1 B1' O1' -57(5) . . . . ?
C14 Ru1 B1' O1' -61(7) . . . . ?
C12 Ru1 B1' O1' -94(5) . . . . ?
C13 Ru1 B1' O1' -110(5) . . . . ?
C15' Ru1 B1' O1' -37(5) . . . . ?
B1 Ru1 B1' O1' 46(4) . . . . ?
C27 Ru1 B1' O2' -55(4) . . . . ?
C27' Ru1 B1' O2' -60(5) . . . . ?
C12' Ru1 B1' O2' 34(5) . . . . ?
C16' Ru1 B1' O2' 66(5) . . . . ?
C15 Ru1 B1' O2' 105(5) . . . . ?
C13' Ru1 B1' O2' 43(7) . . . . ?
C16 Ru1 B1' O2' 80(5) . . . . ?
C14 Ru1 B1' O2' 76(6) . . . . ?
C12 Ru1 B1' O2' 43(5) . . . . ?
C13 Ru1 B1' O2' 28(6) . . . . ?
C15' Ru1 B1' O2' 100(5) . . . . ?
B1 Ru1 B1' O2' -177(6) . . . . ?
C27 Ru1 B1' Ru2 58(3) . . . . ?
C27' Ru1 B1' Ru2 53(2) . . . . ?
C12' Ru1 B1' Ru2 147.0(7) . . . . ?
C16' Ru1 B1' Ru2 178.6(11) . . . . ?
C15 Ru1 B1' Ru2 -142.2(9) . . . . ?
C13' Ru1 B1' Ru2 156(2) . . . . ?
C16 Ru1 B1' Ru2 -166.6(11) . . . . ?
C14 Ru1 B1' Ru2 -171(3) . . . . ?
C12 Ru1 B1' Ru2 156.3(10) . . . . ?
C13 Ru1 B1' Ru2 140.6(11) . . . . ?
C15' Ru1 B1' Ru2 -147.1(8) . . . . ?
B1 Ru1 B1' Ru2 -64.0(16) . . . . ?
C27 Ru2 B1' O1' -169(8) . . . . ?
C27' Ru2 B1' O1' -161(6) . . . . ?
C2' Ru2 B1' O1' 42(6) . . . . ?
C5 Ru2 B1' O1' 102(5) . . . . ?
C3' Ru2 B1' O1' 67(5) . . . . ?
C4 Ru2 B1' O1' 71(5) . . . . ?
C6 Ru2 B1' O1' 90(6) . . . . ?
C6' Ru2 B1' O1' 68(6) . . . . ?
B1 Ru2 B1' O1' -45(4) . . . . ?
C3 Ru2 B1' O1' 37(6) . . . . ?
C4' Ru2 B1' O1' 103(5) . . . . ?
C2 Ru2 B1' O1' 28(7) . . . . ?
C27 Ru2 B1' O2' 52(4) . . . . ?
C27' Ru2 B1' O2' 60(6) . . . . ?
C2' Ru2 B1' O2' -98(5) . . . . ?
C5 Ru2 B1' O2' -37(6) . . . . ?
C3' Ru2 B1' O2' -73(5) . . . . ?
C4 Ru2 B1' O2' -69(5) . . . . ?
C6 Ru2 B1' O2' -49(8) . . . . ?
C6' Ru2 B1' O2' -71(6) . . . . ?
B1 Ru2 B1' O2' 175(7) . . . . ?
C3 Ru2 B1' O2' -103(5) . . . . ?
C4' Ru2 B1' O2' -37(5) . . . . ?
C2 Ru2 B1' O2' -112(5) . . . . ?
C27 Ru2 B1' Ru1 -59(3) . . . . ?
C27' Ru2 B1' Ru1 -51(2) . . . . ?
C2' Ru2 B1' Ru1 151.9(8) . . . . ?
C5 Ru2 B1' Ru1 -147.7(8) . . . . ?
C3' Ru2 B1' Ru1 176.6(14) . . . . ?
C4 Ru2 B1' Ru1 -179.3(11) . . . . ?
C6 Ru2 B1' Ru1 -160(3) . . . . ?
C6' Ru2 B1' Ru1 178.1(16) . . . . ?
B1 Ru2 B1' Ru1 64.9(17) . . . . ?
C3 Ru2 B1' Ru1 146.3(9) . . . . ?
C4' Ru2 B1' Ru1 -147.5(11) . . . . ?
C2 Ru2 B1' Ru1 137.8(16) . . . . ?
O2' B1' O1' C21' 1(6) . . . . ?
Ru1 B1' O1' C21' 144(4) . . . . ?
Ru2 B1' O1' C21' -145(4) . . . . ?
O1' B1' O2' C22' -1(6) . . . . ?
Ru1 B1' O2' C22' -144(4) . . . . ?
Ru2 B1' O2' C22' 143(5) . . . . ?
B1' O2' C22' C23' 179(4) . . . . ?
B1' O2' C22' C21' 2(5) . . . . ?
O2' C22' C23' C24' -177(6) . . . . ?
C21' C22' C23' C24' 0.0 . . . . ?
C22' C23' C24' C25' 0.0 . . . . ?
C23' C24' C25' C26' 0.0 . . . . ?
C24' C25' C26' C21' 0.0 . . . . ?
C25' C26' C21' C22' 0.0 . . . . ?
C25' C26' C21' O1' 179(5) . . . . ?
O2' C22' C21' C26' 178(5) . . . . ?
C23' C22' C21' C26' 0.0 . . . . ?
O2' C22' C21' O1' -1(4) . . . . ?
C23' C22' C21' O1' -179(4) . . . . ?
B1' O1' C21' C26' -179(5) . . . . ?
B1' O1' C21' C22' 0(5) . . . . ?
C27 Ru1 C27' O3' 127(12) . . . . ?
C12' Ru1 C27' O3' 21(11) . . . . ?
C16' Ru1 C27' O3' 53(12) . . . . ?
C15 Ru1 C27' O3' -11(16) . . . . ?
C13' Ru1 C27' O3' -17(11) . . . . ?
C16 Ru1 C27' O3' 57(12) . . . . ?
C14 Ru1 C27' O3' -27(12) . . . . ?
C12 Ru1 C27' O3' 39(11) . . . . ?
C13 Ru1 C27' O3' 2(11) . . . . ?
C15' Ru1 C27' O3' 39(16) . . . . ?
B1 Ru1 C27' O3' -168(10) . . . . ?
C27 Ru1 C27' Ru2 -66(3) . . . . ?
C12' Ru1 C27' Ru2 -171.7(16) . . . . ?
C16' Ru1 C27' Ru2 -140.2(13) . . . . ?
C15 Ru1 C27' Ru2 156(4) . . . . ?
C13' Ru1 C27' Ru2 149.9(14) . . . . ?
C16 Ru1 C27' Ru2 -136(2) . . . . ?
C14 Ru1 C27' Ru2 140.3(14) . . . . ?
C12 Ru1 C27' Ru2 -154.1(15) . . . . ?
C13 Ru1 C27' Ru2 169.2(17) . . . . ?
C15' Ru1 C27' Ru2 -154(5) . . . . ?
B1 Ru1 C27' Ru2 -1(3) . . . . ?
C27 Ru2 C27' O3' -124(12) . . . . ?
C2' Ru2 C27' O3' -23(16) . . . . ?
C5 Ru2 C27' O3' -19(11) . . . . ?
C3' Ru2 C27' O3' -66(11) . . . . ?
C4 Ru2 C27' O3' -53(12) . . . . ?
C6 Ru2 C27' O3' 20(11) . . . . ?
C6' Ru2 C27' O3' 15(12) . . . . ?
B1 Ru2 C27' O3' 168(10) . . . . ?
C3 Ru2 C27' O3' -43(17) . . . . ?
C4' Ru2 C27' O3' -43(11) . . . . ?
C2 Ru2 C27' O3' 39(13) . . . . ?
C27 Ru2 C27' Ru1 69(3) . . . . ?
C2' Ru2 C27' Ru1 170(4) . . . . ?
C5 Ru2 C27' Ru1 173.5(16) . . . . ?
C3' Ru2 C27' Ru1 126.6(18) . . . . ?
C4 Ru2 C27' Ru1 139.9(14) . . . . ?
C6 Ru2 C27' Ru1 -147.1(15) . . . . ?
C6' Ru2 C27' Ru1 -151.7(12) . . . . ?
B1 Ru2 C27' Ru1 1(3) . . . . ?
C3 Ru2 C27' Ru1 150(6) . . . . ?
C4' Ru2 C27' Ru1 149.5(19) . . . . ?
C2 Ru2 C27' Ru1 -128(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.881
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.881
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.128
_vrf_PLAT029_I                   
;
PROBLEM: _diffrn_measured_fraction_theta_full Low .......      0.881      
RESPONSE: Even though the data collection strategy was
set for 100% completion, collected data showed incompleteness
in pockets of reciprocal space. The reason could be blind
regions or bug in the strategy software.  
;
_vrf_PLAT201_I                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         30      
RESPONSE:  Except the two metal atoms, the entire structure
is two fold disordered. The anisosotropic refinement of
all non-hydrogen atoms almost doubles the refinement parameters
which in turn leads poor reflection/parameter ratio. Hence,
it was decided to stop the refinement at isotropic level.  
;
# end Validation Reply Form

_database_code_depnum_ccdc_archive 'CCDC 926985'