# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_5062
_database_code_depnum_ccdc_archive 'CCDC 1418090'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-06-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H34 B20 Ru'
_chemical_formula_sum            'C14 H34 B20 Ru'
_chemical_formula_weight         519.68
_chemical_melting_point          ?
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9651(8)
_cell_length_b                   10.4007(8)
_cell_length_c                   13.6240(11)
_cell_angle_alpha                85.831(4)
_cell_angle_beta                 70.460(4)
_cell_angle_gamma                72.262(4)
_cell_volume                     1266.79(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9235
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.255
_cell_measurement_theta_min      2.557
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.624
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0493 before and 0.0421 after correction.
The Ratio of minimum to maximum transmission is 0.9095.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19182
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.278
_diffrn_reflns_theta_min         2.639
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5204
_reflns_number_total             5545
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         1.779
_refine_diff_density_min         -0.824
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5545
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²+1.7639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0736
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C102(H102), C103(H103), C105(H105), C106(H106), C108(H108)
2.b Idealised Me refined as rotating group:
 C107(H10A,H10B,H10C), C109(H10D,H10E,H10F), C110(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.29086(2) 0.75348(2) 0.79413(2) 0.01008(6) Uani 1 1 d . . . . .
C1 C 0.6184(3) 0.5648(2) 0.72091(18) 0.0116(5) Uani 1 1 d . . . . .
C2 C 0.5215(3) 0.7269(2) 0.73164(18) 0.0111(5) Uani 1 1 d . . . . .
B3 B 0.6124(3) 0.6625(3) 0.8208(2) 0.0125(5) Uani 1 1 d . . . . .
H3 H 0.546(3) 0.653(3) 0.900(2) 0.015 Uiso 1 1 d R . . . .
B4 B 0.7793(3) 0.5348(3) 0.7512(2) 0.0141(5) Uani 1 1 d . . . . .
H4 H 0.817(3) 0.445(3) 0.788(2) 0.017 Uiso 1 1 d R . . . .
B5 B 0.7839(3) 0.5271(3) 0.6198(2) 0.0149(5) Uani 1 1 d . . . . .
H5 H 0.821(3) 0.431(3) 0.581(2) 0.018 Uiso 1 1 d R . . . .
B6 B 0.6205(3) 0.6498(3) 0.6078(2) 0.0138(5) Uani 1 1 d . . . . .
H6 H 0.563(3) 0.634(3) 0.564(2) 0.017 Uiso 1 1 d R . . . .
B7 B 0.6195(3) 0.8189(3) 0.7648(2) 0.0140(5) Uani 1 1 d . . . . .
H7 H 0.557(3) 0.906(3) 0.809(2) 0.017 Uiso 1 1 d R . . . .
B8 B 0.7836(3) 0.6990(3) 0.7770(2) 0.0158(6) Uani 1 1 d . . . . .
H8 H 0.832(3) 0.714(3) 0.834(2) 0.019 Uiso 1 1 d R . . . .
B9 B 0.8908(3) 0.6165(3) 0.6529(2) 0.0162(6) Uani 1 1 d . . . . .
H9 H 1.009(3) 0.579(3) 0.629(2) 0.019 Uiso 1 1 d R . . . .
B10 B 0.7912(3) 0.6866(3) 0.5645(2) 0.0156(6) Uani 1 1 d . . . . .
H10 H 0.839(3) 0.695(3) 0.483(2) 0.019 Uiso 1 1 d R . . . .
B11 B 0.6229(3) 0.8118(3) 0.6345(2) 0.0150(5) Uani 1 1 d . . . . .
H11 H 0.560(3) 0.899(3) 0.600(2) 0.018 Uiso 1 1 d R . . . .
B12 B 0.7911(3) 0.7922(3) 0.6612(2) 0.0166(6) Uani 1 1 d . . . . .
H12 H 0.846(3) 0.870(3) 0.640(2) 0.020 Uiso 1 1 d R . . . .
C1' C 0.5173(3) 0.4752(2) 0.74961(18) 0.0117(5) Uani 1 1 d . . . . .
C2' C 0.3463(3) 0.5488(2) 0.83785(18) 0.0121(5) Uani 1 1 d . . . . .
B3' B 0.3571(3) 0.5309(3) 0.7154(2) 0.0138(5) Uani 1 1 d . . . . .
H3' H 0.335(3) 0.639(3) 0.679(2) 0.017 Uiso 1 1 d R . . . .
B4' B 0.5029(3) 0.3801(3) 0.6588(2) 0.0148(5) Uani 1 1 d . . . . .
H4' H 0.576(3) 0.375(3) 0.582(2) 0.018 Uiso 1 1 d R . . . .
B5' B 0.5785(3) 0.3078(3) 0.7604(2) 0.0156(6) Uani 1 1 d . . . . .
H5' H 0.698(3) 0.266(3) 0.744(2) 0.019 Uiso 1 1 d R . . . .
B6' B 0.4782(3) 0.4196(3) 0.8738(2) 0.0144(5) Uani 1 1 d . . . . .
H6' H 0.535(3) 0.437(3) 0.923(2) 0.017 Uiso 1 1 d R . . . .
B7' B 0.2133(3) 0.4866(3) 0.8152(2) 0.0151(6) Uani 1 1 d . . . . .
H7' H 0.104(3) 0.553(3) 0.830(2) 0.018 Uiso 1 1 d R . . . .
B8' B 0.3110(3) 0.3832(3) 0.7014(2) 0.0168(6) Uani 1 1 d . . . . .
H8' H 0.262(3) 0.376(3) 0.648(2) 0.020 Uiso 1 1 d R . . . .
B9' B 0.4484(3) 0.2447(3) 0.7322(2) 0.0184(6) Uani 1 1 d . . . . .
H9' H 0.483(3) 0.146(3) 0.697(2) 0.022 Uiso 1 1 d R . . . .
B10' B 0.4332(3) 0.2692(3) 0.8653(2) 0.0182(6) Uani 1 1 d . . . . .
H10' H 0.461(3) 0.187(3) 0.920(2) 0.022 Uiso 1 1 d R . . . .
B11' B 0.2882(3) 0.4234(3) 0.9149(2) 0.0171(6) Uani 1 1 d . . . . .
H11' H 0.225(3) 0.446(3) 0.994(2) 0.020 Uiso 1 1 d R . . . .
B12' B 0.2705(3) 0.3117(3) 0.8284(2) 0.0188(6) Uani 1 1 d . . . . .
H12' H 0.188(3) 0.258(3) 0.855(2) 0.023 Uiso 1 1 d R . . . .
C101 C 0.1614(3) 0.9468(2) 0.74236(19) 0.0150(5) Uani 1 1 d . . . . .
C102 C 0.2481(3) 0.9745(2) 0.7963(2) 0.0153(5) Uani 1 1 d . . . . .
H102 H 0.3314 1.0122 0.7572 0.018 Uiso 1 1 calc R . . . .
C103 C 0.2421(3) 0.9229(2) 0.8968(2) 0.0167(5) Uani 1 1 d . . . . .
H103 H 0.3192 0.9281 0.9268 0.020 Uiso 1 1 calc R . . . .
C104 C 0.1455(3) 0.8454(2) 0.94709(19) 0.0164(5) Uani 1 1 d . . . . .
C105 C 0.0501(3) 0.8236(2) 0.8957(2) 0.0154(5) Uani 1 1 d . . . . .
H105 H -0.0033 0.7545 0.9233 0.019 Uiso 1 1 calc R . . . .
C106 C 0.0633(3) 0.8676(2) 0.79399(19) 0.0143(5) Uani 1 1 d . . . . .
H106 H 0.0171 0.8302 0.7524 0.017 Uiso 1 1 calc R . . . .
C107 C 0.1433(3) 0.7870(3) 1.0519(2) 0.0217(6) Uani 1 1 d . . . . .
H10A H 0.1216 0.7005 1.0568 0.033 Uiso 1 1 calc GR . . . .
H10B H 0.0660 0.8497 1.1070 0.033 Uiso 1 1 calc GR . . . .
H10C H 0.2407 0.7727 1.0602 0.033 Uiso 1 1 calc GR . . . .
C108 C 0.1683(3) 1.0002(3) 0.6348(2) 0.0178(5) Uani 1 1 d . . . . .
H108 H 0.2451 1.0494 0.6128 0.021 Uiso 1 1 calc R . . . .
C109 C 0.2128(3) 0.8888(3) 0.5536(2) 0.0236(6) Uani 1 1 d . . . . .
H10D H 0.1417 0.8362 0.5751 0.035 Uiso 1 1 calc GR . . . .
H10E H 0.3131 0.8294 0.5470 0.035 Uiso 1 1 calc GR . . . .
H10F H 0.2123 0.9288 0.4863 0.035 Uiso 1 1 calc GR . . . .
C110 C 0.0164(3) 1.1026(3) 0.6415(2) 0.0211(6) Uani 1 1 d . . . . .
H11A H 0.0193 1.1368 0.5721 0.032 Uiso 1 1 calc GR . . . .
H11B H -0.0047 1.1780 0.6890 0.032 Uiso 1 1 calc GR . . . .
H11C H -0.0620 1.0582 0.6676 0.032 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 2.103(2) . ?
Ru1 C2' 2.124(2) . ?
Ru1 B3' 2.430(3) . ?
Ru1 H3' 1.89(3) . ?
Ru1 C101 2.242(2) . ?
Ru1 C102 2.207(2) . ?
Ru1 C103 2.163(2) . ?
Ru1 C104 2.187(2) . ?
Ru1 C105 2.250(2) . ?
Ru1 C106 2.217(2) . ?
C1 C2 1.657(3) . ?
C1 B3 1.731(4) . ?
C1 B4 1.720(4) . ?
C1 B5 1.713(4) . ?
C1 B6 1.717(3) . ?
C1 C1' 1.514(3) . ?
C2 B3 1.730(3) . ?
C2 B6 1.751(4) . ?
C2 B7 1.732(4) . ?
C2 B11 1.741(4) . ?
B3 H3 1.08(3) . ?
B3 B4 1.792(4) . ?
B3 B7 1.757(4) . ?
B3 B8 1.758(4) . ?
B4 H4 1.05(3) . ?
B4 B5 1.783(4) . ?
B4 B8 1.784(4) . ?
B4 B9 1.779(4) . ?
B5 H5 1.06(3) . ?
B5 B6 1.785(4) . ?
B5 B9 1.786(4) . ?
B5 B10 1.784(4) . ?
B6 H6 1.01(3) . ?
B6 B10 1.756(4) . ?
B6 B11 1.759(4) . ?
B7 H7 1.03(3) . ?
B7 B8 1.779(4) . ?
B7 B11 1.770(4) . ?
B7 B12 1.773(4) . ?
B8 H8 1.08(3) . ?
B8 B9 1.783(4) . ?
B8 B12 1.782(4) . ?
B9 H9 1.06(3) . ?
B9 B10 1.788(4) . ?
B9 B12 1.786(4) . ?
B10 H10 1.06(3) . ?
B10 B11 1.789(4) . ?
B10 B12 1.775(4) . ?
B11 H11 1.11(3) . ?
B11 B12 1.780(4) . ?
B12 H12 1.08(3) . ?
C1' C2' 1.704(3) . ?
C1' B3' 1.732(4) . ?
C1' B4' 1.707(4) . ?
C1' B5' 1.674(3) . ?
C1' B6' 1.705(3) . ?
C2' B3' 1.656(4) . ?
C2' B6' 1.742(4) . ?
C2' B7' 1.760(4) . ?
C2' B11' 1.730(4) . ?
B3' H3' 1.18(3) . ?
B3' B4' 1.790(4) . ?
B3' B7' 1.767(4) . ?
B3' B8' 1.771(4) . ?
B4' H4' 1.05(3) . ?
B4' B5' 1.803(4) . ?
B4' B8' 1.794(4) . ?
B4' B9' 1.782(4) . ?
B5' H5' 1.09(3) . ?
B5' B6' 1.805(4) . ?
B5' B9' 1.774(4) . ?
B5' B10' 1.785(4) . ?
B6' H6' 1.07(3) . ?
B6' B10' 1.774(4) . ?
B6' B11' 1.774(4) . ?
B7' H7' 1.06(3) . ?
B7' B8' 1.761(4) . ?
B7' B11' 1.757(4) . ?
B7' B12' 1.747(4) . ?
B8' H8' 1.03(3) . ?
B8' B9' 1.794(4) . ?
B8' B12' 1.799(4) . ?
B9' H9' 1.07(3) . ?
B9' B10' 1.800(4) . ?
B9' B12' 1.781(4) . ?
B10' H10' 1.12(3) . ?
B10' B11' 1.791(4) . ?
B10' B12' 1.777(4) . ?
B11' H11' 1.05(3) . ?
B11' B12' 1.799(4) . ?
B12' H12' 1.08(3) . ?
C101 C102 1.405(4) . ?
C101 C106 1.441(3) . ?
C101 C108 1.517(3) . ?
C102 H102 1.0000 . ?
C102 C103 1.422(3) . ?
C103 H103 1.0000 . ?
C103 C104 1.413(4) . ?
C104 C105 1.430(3) . ?
C104 C107 1.507(3) . ?
C105 H105 1.0000 . ?
C105 C106 1.403(3) . ?
C106 H106 1.0000 . ?
C107 H10A 0.9800 . ?
C107 H10B 0.9800 . ?
C107 H10C 0.9800 . ?
C108 H108 1.0000 . ?
C108 C109 1.519(4) . ?
C108 C110 1.540(3) . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 C2' 87.00(9) . . ?
C2 Ru1 B3' 83.88(9) . . ?
C2 Ru1 H3' 81.6(8) . . ?
C2 Ru1 C101 110.98(9) . . ?
C2 Ru1 C102 89.93(9) . . ?
C2 Ru1 C103 95.61(9) . . ?
C2 Ru1 C104 125.38(9) . . ?
C2 Ru1 C105 162.30(9) . . ?
C2 Ru1 C106 147.83(9) . . ?
C2' Ru1 B3' 41.99(9) . . ?
C2' Ru1 H3' 70.3(8) . . ?
C2' Ru1 C101 158.46(9) . . ?
C2' Ru1 C102 161.01(9) . . ?
C2' Ru1 C103 123.77(9) . . ?
C2' Ru1 C104 98.41(9) . . ?
C2' Ru1 C105 99.38(9) . . ?
C2' Ru1 C106 122.21(9) . . ?
B3' Ru1 H3' 28.4(8) . . ?
C101 Ru1 B3' 125.54(9) . . ?
C101 Ru1 H3' 99.7(8) . . ?
C101 Ru1 C105 67.12(9) . . ?
C102 Ru1 B3' 155.96(9) . . ?
C102 Ru1 H3' 127.7(8) . . ?
C102 Ru1 C101 36.82(9) . . ?
C102 Ru1 C105 78.66(9) . . ?
C102 Ru1 C106 66.74(9) . . ?
C103 Ru1 B3' 165.73(9) . . ?
C103 Ru1 H3' 165.6(8) . . ?
C103 Ru1 C101 67.97(9) . . ?
C103 Ru1 C102 37.97(9) . . ?
C103 Ru1 C104 37.90(9) . . ?
C103 Ru1 C105 67.09(9) . . ?
C103 Ru1 C106 79.70(9) . . ?
C104 Ru1 B3' 133.20(9) . . ?
C104 Ru1 H3' 151.1(8) . . ?
C104 Ru1 C101 81.12(9) . . ?
C104 Ru1 C102 68.38(9) . . ?
C104 Ru1 C105 37.58(9) . . ?
C104 Ru1 C106 67.80(9) . . ?
C105 Ru1 B3' 111.91(9) . . ?
C105 Ru1 H3' 116.1(8) . . ?
C106 Ru1 B3' 108.20(9) . . ?
C106 Ru1 H3' 95.1(8) . . ?
C106 Ru1 C101 37.72(9) . . ?
C106 Ru1 C105 36.61(9) . . ?
C2 C1 B3 61.35(14) . . ?
C2 C1 B4 112.85(18) . . ?
C2 C1 B5 113.68(18) . . ?
C2 C1 B6 62.48(15) . . ?
B4 C1 B3 62.56(15) . . ?
B4 C1 B6 114.22(19) . . ?
B5 C1 B3 114.23(19) . . ?
B5 C1 B4 62.59(16) . . ?
B5 C1 B6 62.72(15) . . ?
B6 C1 B3 113.72(18) . . ?
C1' C1 C2 111.55(18) . . ?
C1' C1 B3 116.73(19) . . ?
C1' C1 B4 124.88(19) . . ?
C1' C1 B5 123.2(2) . . ?
C1' C1 B6 114.37(19) . . ?
C1 C2 Ru1 111.35(14) . . ?
C1 C2 B3 61.43(14) . . ?
C1 C2 B6 60.44(14) . . ?
C1 C2 B7 108.77(18) . . ?
C1 C2 B11 108.24(18) . . ?
B3 C2 Ru1 112.31(15) . . ?
B3 C2 B6 112.11(18) . . ?
B3 C2 B7 61.00(15) . . ?
B3 C2 B11 111.28(18) . . ?
B6 C2 Ru1 119.03(15) . . ?
B7 C2 Ru1 126.84(16) . . ?
B7 C2 B6 110.52(18) . . ?
B7 C2 B11 61.26(15) . . ?
B11 C2 Ru1 131.07(16) . . ?
B11 C2 B6 60.50(15) . . ?
C1 B3 H3 120.6(15) . . ?
C1 B3 B4 58.42(14) . . ?
C1 B3 B7 104.37(18) . . ?
C1 B3 B8 104.75(19) . . ?
C2 B3 C1 57.23(13) . . ?
C2 B3 H3 118.2(14) . . ?
C2 B3 B4 106.07(18) . . ?
C2 B3 B7 59.56(15) . . ?
C2 B3 B8 107.18(19) . . ?
B4 B3 H3 123.3(14) . . ?
B7 B3 H3 123.2(14) . . ?
B7 B3 B4 108.72(19) . . ?
B7 B3 B8 60.83(16) . . ?
B8 B3 H3 127.8(15) . . ?
B8 B3 B4 60.33(16) . . ?
C1 B4 B3 59.02(14) . . ?
C1 B4 H4 119.5(15) . . ?
C1 B4 B5 58.51(15) . . ?
C1 B4 B8 104.09(19) . . ?
C1 B4 B9 104.42(19) . . ?
B3 B4 H4 120.0(15) . . ?
B5 B4 B3 107.99(19) . . ?
B5 B4 H4 119.6(15) . . ?
B5 B4 B8 108.04(19) . . ?
B8 B4 B3 58.88(15) . . ?
B8 B4 H4 126.9(15) . . ?
B9 B4 B3 107.20(19) . . ?
B9 B4 H4 126.9(15) . . ?
B9 B4 B5 60.17(16) . . ?
B9 B4 B8 60.08(16) . . ?
C1 B5 B4 58.89(15) . . ?
C1 B5 H5 117.6(15) . . ?
C1 B5 B6 58.76(15) . . ?
C1 B5 B9 104.42(19) . . ?
C1 B5 B10 103.99(19) . . ?
B4 B5 H5 119.1(15) . . ?
B4 B5 B6 107.96(19) . . ?
B4 B5 B9 59.79(16) . . ?
B4 B5 B10 107.8(2) . . ?
B6 B5 H5 119.1(15) . . ?
B6 B5 B9 107.2(2) . . ?
B9 B5 H5 128.6(15) . . ?
B10 B5 H5 128.3(15) . . ?
B10 B5 B6 58.93(15) . . ?
B10 B5 B9 60.11(16) . . ?
C1 B6 C2 57.08(13) . . ?
C1 B6 B5 58.52(14) . . ?
C1 B6 H6 120.3(16) . . ?
C1 B6 B10 105.01(19) . . ?
C1 B6 B11 104.77(19) . . ?
C2 B6 B5 105.87(18) . . ?
C2 B6 H6 118.6(16) . . ?
C2 B6 B10 107.0(2) . . ?
C2 B6 B11 59.48(15) . . ?
B5 B6 H6 123.1(16) . . ?
B10 B6 B5 60.49(16) . . ?
B10 B6 H6 127.7(16) . . ?
B10 B6 B11 61.18(16) . . ?
B11 B6 B5 109.3(2) . . ?
B11 B6 H6 122.9(15) . . ?
C2 B7 B3 59.43(14) . . ?
C2 B7 H7 116.3(16) . . ?
C2 B7 B8 106.12(19) . . ?
C2 B7 B11 59.62(15) . . ?
C2 B7 B12 106.51(19) . . ?
B3 B7 H7 118.9(15) . . ?
B3 B7 B8 59.60(15) . . ?
B3 B7 B11 108.67(19) . . ?
B3 B7 B12 108.0(2) . . ?
B8 B7 H7 127.4(15) . . ?
B11 B7 H7 118.8(15) . . ?
B11 B7 B8 108.6(2) . . ?
B11 B7 B12 60.33(16) . . ?
B12 B7 H7 127.6(16) . . ?
B12 B7 B8 60.22(16) . . ?
B3 B8 B4 60.79(15) . . ?
B3 B8 B7 59.57(15) . . ?
B3 B8 H8 119.1(15) . . ?
B3 B8 B9 108.5(2) . . ?
B3 B8 B12 107.62(19) . . ?
B4 B8 H8 120.7(15) . . ?
B7 B8 B4 108.08(19) . . ?
B7 B8 H8 121.2(15) . . ?
B7 B8 B9 108.0(2) . . ?
B7 B8 B12 59.72(16) . . ?
B9 B8 B4 59.82(16) . . ?
B9 B8 H8 123.5(15) . . ?
B12 B8 B4 107.8(2) . . ?
B12 B8 H8 124.0(15) . . ?
B12 B8 B9 60.11(16) . . ?
B4 B9 B5 60.04(15) . . ?
B4 B9 B8 60.10(16) . . ?
B4 B9 H9 120.2(15) . . ?
B4 B9 B10 107.83(19) . . ?
B4 B9 B12 107.9(2) . . ?
B5 B9 H9 121.3(15) . . ?
B8 B9 B5 107.96(19) . . ?
B8 B9 H9 121.3(15) . . ?
B8 B9 B10 107.6(2) . . ?
B10 B9 B5 59.89(16) . . ?
B10 B9 H9 123.2(15) . . ?
B12 B9 B5 107.6(2) . . ?
B12 B9 B8 59.91(16) . . ?
B12 B9 H9 123.2(15) . . ?
B12 B9 B10 59.55(16) . . ?
B5 B10 B9 60.00(16) . . ?
B5 B10 H10 120.8(15) . . ?
B5 B10 B11 108.08(19) . . ?
B6 B10 B5 60.58(15) . . ?
B6 B10 B9 108.39(19) . . ?
B6 B10 H10 116.5(15) . . ?
B6 B10 B11 59.50(16) . . ?
B6 B10 B12 107.7(2) . . ?
B9 B10 H10 126.3(15) . . ?
B9 B10 B11 108.1(2) . . ?
B11 B10 H10 119.2(15) . . ?
B12 B10 B5 108.1(2) . . ?
B12 B10 B9 60.17(16) . . ?
B12 B10 H10 125.2(15) . . ?
B12 B10 B11 59.95(16) . . ?
C2 B11 B6 60.03(15) . . ?
C2 B11 B7 59.12(15) . . ?
C2 B11 B10 105.96(19) . . ?
C2 B11 H11 117.7(14) . . ?
C2 B11 B12 105.81(19) . . ?
B6 B11 B7 108.40(19) . . ?
B6 B11 B10 59.31(16) . . ?
B6 B11 H11 118.1(15) . . ?
B6 B11 B12 107.3(2) . . ?
B7 B11 B10 107.7(2) . . ?
B7 B11 H11 121.2(14) . . ?
B7 B11 B12 59.94(16) . . ?
B10 B11 H11 125.9(14) . . ?
B12 B11 B10 59.64(16) . . ?
B12 B11 H11 128.0(15) . . ?
B7 B12 B8 60.06(16) . . ?
B7 B12 B9 108.15(19) . . ?
B7 B12 B10 108.14(19) . . ?
B7 B12 B11 59.73(16) . . ?
B7 B12 H12 121.2(15) . . ?
B8 B12 B9 59.98(16) . . ?
B8 B12 B11 108.02(19) . . ?
B8 B12 H12 122.7(15) . . ?
B9 B12 B11 108.6(2) . . ?
B9 B12 H12 122.6(15) . . ?
B10 B12 B8 108.2(2) . . ?
B10 B12 B9 60.27(16) . . ?
B10 B12 B11 60.42(16) . . ?
B10 B12 H12 121.2(15) . . ?
B11 B12 H12 120.3(15) . . ?
C1 C1' C2' 113.68(18) . . ?
C1 C1' B3' 116.24(19) . . ?
C1 C1' B4' 122.31(19) . . ?
C1 C1' B5' 123.5(2) . . ?
C1 C1' B6' 115.96(19) . . ?
C2' C1' B3' 57.63(14) . . ?
C2' C1' B4' 110.67(18) . . ?
B4' C1' B3' 62.73(15) . . ?
B5' C1' C2' 113.33(18) . . ?
B5' C1' B3' 114.54(19) . . ?
B5' C1' B4' 64.45(16) . . ?
B5' C1' B6' 64.58(16) . . ?
B6' C1' C2' 61.45(15) . . ?
B6' C1' B3' 110.67(18) . . ?
B6' C1' B4' 116.81(19) . . ?
C1' C2' Ru1 104.23(14) . . ?
C1' C2' B6' 59.28(14) . . ?
C1' C2' B7' 109.27(18) . . ?
C1' C2' B11' 107.92(18) . . ?
B3' C2' Ru1 78.91(13) . . ?
B3' C2' C1' 62.02(15) . . ?
B3' C2' B6' 112.54(19) . . ?
B3' C2' B7' 62.21(16) . . ?
B3' C2' B11' 112.10(19) . . ?
B6' C2' Ru1 144.67(17) . . ?
B6' C2' B7' 110.79(18) . . ?
B7' C2' Ru1 104.10(14) . . ?
B11' C2' Ru1 147.47(16) . . ?
B11' C2' B6' 61.47(16) . . ?
B11' C2' B7' 60.47(16) . . ?
Ru1 B3' H3' 49.7(13) . . ?
C1' B3' Ru1 92.01(14) . . ?
C1' B3' H3' 115.8(14) . . ?
C1' B3' B4' 57.96(15) . . ?
C1' B3' B7' 107.67(19) . . ?
C1' B3' B8' 105.42(19) . . ?
C2' B3' Ru1 59.10(12) . . ?
C2' B3' C1' 60.34(14) . . ?
C2' B3' H3' 108.7(13) . . ?
C2' B3' B4' 108.93(19) . . ?
C2' B3' B7' 61.76(16) . . ?
C2' B3' B8' 109.2(2) . . ?
B4' B3' Ru1 146.75(17) . . ?
B4' B3' H3' 127.3(13) . . ?
B7' B3' Ru1 92.71(15) . . ?
B7' B3' H3' 121.0(13) . . ?
B7' B3' B4' 108.92(19) . . ?
B7' B3' B8' 59.69(16) . . ?
B8' B3' Ru1 150.55(18) . . ?
B8' B3' H3' 133.8(14) . . ?
B8' B3' B4' 60.48(16) . . ?
C1' B4' B3' 59.31(15) . . ?
C1' B4' H4' 118.4(15) . . ?
C1' B4' B5' 56.88(14) . . ?
C1' B4' B8' 105.50(19) . . ?
C1' B4' B9' 103.12(19) . . ?
B3' B4' H4' 122.4(15) . . ?
B3' B4' B5' 105.76(19) . . ?
B3' B4' B8' 59.24(15) . . ?
B5' B4' H4' 118.6(15) . . ?
B8' B4' H4' 128.1(15) . . ?
B8' B4' B5' 107.7(2) . . ?
B9' B4' B3' 105.93(19) . . ?
B9' B4' H4' 127.2(15) . . ?
B9' B4' B5' 59.31(16) . . ?
B9' B4' B8' 60.24(16) . . ?
C1' B5' B4' 58.67(15) . . ?
C1' B5' H5' 115.0(15) . . ?
C1' B5' B6' 58.54(15) . . ?
C1' B5' B9' 104.9(2) . . ?
C1' B5' B10' 104.65(19) . . ?
B4' B5' H5' 120.9(15) . . ?
B4' B5' B6' 107.31(19) . . ?
B6' B5' H5' 116.0(15) . . ?
B9' B5' B4' 59.75(16) . . ?
B9' B5' H5' 131.6(15) . . ?
B9' B5' B6' 107.6(2) . . ?
B9' B5' B10' 60.76(17) . . ?
B10' B5' B4' 108.1(2) . . ?
B10' B5' H5' 127.8(14) . . ?
B10' B5' B6' 59.24(16) . . ?
C1' B6' C2' 59.26(14) . . ?
C1' B6' B5' 56.88(14) . . ?
C1' B6' H6' 120.2(15) . . ?
C1' B6' B10' 103.81(19) . . ?
C1' B6' B11' 105.89(19) . . ?
C2' B6' B5' 105.44(19) . . ?
C2' B6' H6' 122.4(15) . . ?
C2' B6' B10' 105.8(2) . . ?
C2' B6' B11' 58.93(15) . . ?
B5' B6' H6' 120.4(15) . . ?
B10' B6' B5' 59.81(16) . . ?
B10' B6' H6' 126.0(15) . . ?
B11' B6' B5' 108.3(2) . . ?
B11' B6' H6' 125.4(15) . . ?
B11' B6' B10' 60.63(16) . . ?
C2' B7' B3' 56.02(14) . . ?
C2' B7' H7' 117.4(15) . . ?
C2' B7' B8' 105.14(19) . . ?
B3' B7' H7' 116.7(15) . . ?
B8' B7' B3' 60.28(16) . . ?
B8' B7' H7' 123.6(15) . . ?
B11' B7' C2' 58.92(15) . . ?
B11' B7' B3' 105.7(2) . . ?
B11' B7' H7' 122.3(15) . . ?
B11' B7' B8' 110.6(2) . . ?
B12' B7' C2' 106.6(2) . . ?
B12' B7' B3' 108.3(2) . . ?
B12' B7' H7' 129.2(15) . . ?
B12' B7' B8' 61.68(17) . . ?
B12' B7' B11' 61.76(17) . . ?
B3' B8' B4' 60.27(16) . . ?
B3' B8' H8' 121.3(16) . . ?
B3' B8' B9' 106.2(2) . . ?
B3' B8' B12' 105.8(2) . . ?
B4' B8' H8' 119.8(16) . . ?
B4' B8' B12' 107.5(2) . . ?
B7' B8' B3' 60.03(16) . . ?
B7' B8' B4' 109.0(2) . . ?
B7' B8' H8' 122.0(16) . . ?
B7' B8' B9' 106.8(2) . . ?
B7' B8' B12' 58.79(16) . . ?
B9' B8' B4' 59.55(16) . . ?
B9' B8' H8' 123.5(16) . . ?
B9' B8' B12' 59.43(16) . . ?
B12' B8' H8' 124.6(16) . . ?
B4' B9' B8' 60.21(16) . . ?
B4' B9' H9' 120.7(15) . . ?
B4' B9' B10' 108.4(2) . . ?
B5' B9' B4' 60.94(16) . . ?
B5' B9' B8' 109.0(2) . . ?
B5' B9' H9' 120.3(16) . . ?
B5' B9' B10' 59.92(17) . . ?
B5' B9' B12' 108.3(2) . . ?
B8' B9' H9' 122.0(15) . . ?
B8' B9' B10' 107.8(2) . . ?
B10' B9' H9' 122.0(15) . . ?
B12' B9' B4' 108.8(2) . . ?
B12' B9' B8' 60.41(17) . . ?
B12' B9' H9' 122.3(16) . . ?
B12' B9' B10' 59.50(17) . . ?
B5' B10' B9' 59.32(16) . . ?
B5' B10' H10' 120.3(15) . . ?
B5' B10' B11' 108.47(19) . . ?
B6' B10' B5' 60.96(16) . . ?
B6' B10' B9' 107.8(2) . . ?
B6' B10' H10' 117.1(15) . . ?
B6' B10' B11' 59.69(16) . . ?
B9' B10' H10' 125.9(15) . . ?
B11' B10' B9' 107.7(2) . . ?
B11' B10' H10' 119.9(15) . . ?
B12' B10' B5' 108.0(2) . . ?
B12' B10' B6' 108.5(2) . . ?
B12' B10' B9' 59.73(17) . . ?
B12' B10' H10' 124.8(15) . . ?
B12' B10' B11' 60.55(17) . . ?
C2' B11' B6' 59.59(15) . . ?
C2' B11' B7' 60.61(15) . . ?
C2' B11' B10' 105.60(19) . . ?
C2' B11' H11' 118.8(15) . . ?
C2' B11' B12' 105.70(19) . . ?
B6' B11' B10' 59.68(16) . . ?
B6' B11' H11' 117.6(16) . . ?
B6' B11' B12' 107.5(2) . . ?
B7' B11' B6' 109.4(2) . . ?
B7' B11' B10' 107.0(2) . . ?
B7' B11' H11' 121.9(15) . . ?
B7' B11' B12' 58.85(16) . . ?
B10' B11' H11' 125.0(15) . . ?
B10' B11' B12' 59.34(17) . . ?
B12' B11' H11' 127.8(16) . . ?
B7' B12' B8' 59.53(16) . . ?
B7' B12' B9' 108.0(2) . . ?
B7' B12' B10' 108.1(2) . . ?
B7' B12' B11' 59.39(16) . . ?
B7' B12' H12' 119.6(15) . . ?
B8' B12' B11' 107.04(19) . . ?
B8' B12' H12' 121.5(15) . . ?
B9' B12' B8' 60.16(16) . . ?
B9' B12' B11' 108.2(2) . . ?
B9' B12' H12' 123.5(16) . . ?
B10' B12' B8' 108.6(2) . . ?
B10' B12' B9' 60.77(17) . . ?
B10' B12' B11' 60.12(17) . . ?
B10' B12' H12' 122.9(15) . . ?
B11' B12' H12' 121.1(15) . . ?
C102 C101 Ru1 70.23(13) . . ?
C102 C101 C106 117.4(2) . . ?
C102 C101 C108 121.5(2) . . ?
C106 C101 Ru1 70.19(13) . . ?
C106 C101 C108 121.0(2) . . ?
C108 C101 Ru1 131.66(17) . . ?
Ru1 C102 H102 118.7 . . ?
C101 C102 Ru1 72.94(14) . . ?
C101 C102 H102 118.7 . . ?
C101 C102 C103 121.2(2) . . ?
C103 C102 Ru1 69.34(13) . . ?
C103 C102 H102 118.7 . . ?
Ru1 C103 H103 119.0 . . ?
C102 C103 Ru1 72.69(14) . . ?
C102 C103 H103 119.0 . . ?
C104 C103 Ru1 71.97(14) . . ?
C104 C103 C102 121.1(2) . . ?
C104 C103 H103 119.0 . . ?
C103 C104 Ru1 70.14(14) . . ?
C103 C104 C105 118.2(2) . . ?
C103 C104 C107 121.0(2) . . ?
C105 C104 Ru1 73.60(14) . . ?
C105 C104 C107 120.8(2) . . ?
C107 C104 Ru1 127.12(17) . . ?
Ru1 C105 H105 118.7 . . ?
C104 C105 Ru1 68.82(14) . . ?
C104 C105 H105 118.7 . . ?
C106 C105 Ru1 70.41(13) . . ?
C106 C105 C104 120.2(2) . . ?
C106 C105 H105 118.7 . . ?
Ru1 C106 H106 118.8 . . ?
C101 C106 Ru1 72.09(13) . . ?
C101 C106 H106 118.8 . . ?
C105 C106 Ru1 72.98(14) . . ?
C105 C106 C101 121.6(2) . . ?
C105 C106 H106 118.8 . . ?
C104 C107 H10A 109.5 . . ?
C104 C107 H10B 109.5 . . ?
C104 C107 H10C 109.5 . . ?
H10A C107 H10B 109.5 . . ?
H10A C107 H10C 109.5 . . ?
H10B C107 H10C 109.5 . . ?
C101 C108 H108 107.9 . . ?
C101 C108 C109 112.8(2) . . ?
C101 C108 C110 108.9(2) . . ?
C109 C108 H108 107.9 . . ?
C109 C108 C110 111.3(2) . . ?
C110 C108 H108 107.9 . . ?
C108 C109 H10D 109.5 . . ?
C108 C109 H10E 109.5 . . ?
C108 C109 H10F 109.5 . . ?
H10D C109 H10E 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
C108 C110 H11A 109.5 . . ?
C108 C110 H11B 109.5 . . ?
C108 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 C2 B3 C1 102.97(16) . . . . ?
Ru1 C2 B3 B4 136.50(15) . . . . ?
Ru1 C2 B3 B7 -120.90(17) . . . . ?
Ru1 C2 B3 B8 -160.25(15) . . . . ?
Ru1 C2 B6 C1 -99.43(17) . . . . ?
Ru1 C2 B6 B5 -133.26(17) . . . . ?
Ru1 C2 B6 B10 163.40(15) . . . . ?
Ru1 C2 B6 B11 123.32(18) . . . . ?
Ru1 C2 B7 B3 97.3(2) . . . . ?
Ru1 C2 B7 B8 135.83(18) . . . . ?
Ru1 C2 B7 B11 -121.7(2) . . . . ?
Ru1 C2 B7 B12 -161.15(16) . . . . ?
Ru1 C2 B11 B6 -104.3(2) . . . . ?
Ru1 C2 B11 B7 115.4(2) . . . . ?
Ru1 C2 B11 B10 -143.21(18) . . . . ?
Ru1 C2 B11 B12 154.52(18) . . . . ?
Ru1 C2' B3' C1' 112.82(13) . . . . ?
Ru1 C2' B3' B4' 145.60(17) . . . . ?
Ru1 C2' B3' B7' -112.57(14) . . . . ?
Ru1 C2' B3' B8' -149.99(18) . . . . ?
Ru1 C2' B6' C1' -69.9(3) . . . . ?
Ru1 C2' B6' B5' -104.4(3) . . . . ?
Ru1 C2' B6' B10' -166.8(2) . . . . ?
Ru1 C2' B6' B11' 153.2(3) . . . . ?
Ru1 C2' B7' B3' 69.11(15) . . . . ?
Ru1 C2' B7' B8' 105.82(17) . . . . ?
Ru1 C2' B7' B11' -148.96(17) . . . . ?
Ru1 C2' B7' B12' 170.22(16) . . . . ?
Ru1 C2' B11' B6' -151.0(3) . . . . ?
Ru1 C2' B11' B7' 68.4(3) . . . . ?
Ru1 C2' B11' B10' 169.5(2) . . . . ?
Ru1 C2' B11' B12' 107.6(3) . . . . ?
Ru1 B3' B4' C1' 28.4(3) . . . . ?
Ru1 B3' B4' B5' 62.6(4) . . . . ?
Ru1 B3' B4' B8' 164.1(3) . . . . ?
Ru1 B3' B4' B9' 124.5(3) . . . . ?
Ru1 B3' B7' C2' -52.49(12) . . . . ?
Ru1 B3' B7' B8' 169.15(17) . . . . ?
Ru1 B3' B7' B11' -85.76(17) . . . . ?
Ru1 B3' B7' B12' -150.62(17) . . . . ?
Ru1 B3' B8' B4' -162.2(4) . . . . ?
Ru1 B3' B8' B7' -22.5(4) . . . . ?
Ru1 B3' B8' B9' -122.8(3) . . . . ?
Ru1 B3' B8' B12' -60.7(4) . . . . ?
Ru1 C101 C102 C103 -51.9(2) . . . . ?
Ru1 C101 C106 C105 56.0(2) . . . . ?
Ru1 C101 C108 C109 31.3(3) . . . . ?
Ru1 C101 C108 C110 155.3(2) . . . . ?
Ru1 C102 C103 C104 -55.5(2) . . . . ?
Ru1 C103 C104 C105 -57.7(2) . . . . ?
Ru1 C103 C104 C107 122.1(2) . . . . ?
Ru1 C104 C105 C106 -50.1(2) . . . . ?
Ru1 C105 C106 C101 -55.6(2) . . . . ?
C1 C2 B3 B4 33.52(17) . . . . ?
C1 C2 B3 B7 136.12(19) . . . . ?
C1 C2 B3 B8 96.8(2) . . . . ?
C1 C2 B6 B5 -33.83(17) . . . . ?
C1 C2 B6 B10 -97.2(2) . . . . ?
C1 C2 B6 B11 -137.25(19) . . . . ?
C1 C2 B7 B3 -40.01(17) . . . . ?
C1 C2 B7 B8 -1.5(2) . . . . ?
C1 C2 B7 B11 100.99(19) . . . . ?
C1 C2 B7 B12 61.5(2) . . . . ?
C1 C2 B11 B6 38.44(17) . . . . ?
C1 C2 B11 B7 -101.87(19) . . . . ?
C1 C2 B11 B10 -0.5(2) . . . . ?
C1 C2 B11 B12 -62.8(2) . . . . ?
C1 B3 B4 B5 33.34(17) . . . . ?
C1 B3 B4 B8 134.0(2) . . . . ?
C1 B3 B4 B9 96.8(2) . . . . ?
C1 B3 B7 C2 36.99(16) . . . . ?
C1 B3 B7 B8 -99.1(2) . . . . ?
C1 B3 B7 B11 2.0(2) . . . . ?
C1 B3 B7 B12 -61.9(2) . . . . ?
C1 B3 B8 B4 -39.35(17) . . . . ?
C1 B3 B8 B7 98.46(19) . . . . ?
C1 B3 B8 B9 -2.0(2) . . . . ?
C1 B3 B8 B12 61.6(2) . . . . ?
C1 B4 B5 B6 33.65(18) . . . . ?
C1 B4 B5 B9 133.5(2) . . . . ?
C1 B4 B5 B10 95.9(2) . . . . ?
C1 B4 B8 B3 39.51(17) . . . . ?
C1 B4 B8 B7 2.0(2) . . . . ?
C1 B4 B8 B9 -98.7(2) . . . . ?
C1 B4 B8 B12 -61.1(2) . . . . ?
C1 B4 B9 B5 -39.73(17) . . . . ?
C1 B4 B9 B8 98.2(2) . . . . ?
C1 B4 B9 B10 -2.3(3) . . . . ?
C1 B4 B9 B12 60.6(2) . . . . ?
C1 B5 B6 C2 33.23(17) . . . . ?
C1 B5 B6 B10 134.1(2) . . . . ?
C1 B5 B6 B11 95.9(2) . . . . ?
C1 B5 B9 B4 39.92(17) . . . . ?
C1 B5 B9 B8 2.3(2) . . . . ?
C1 B5 B9 B10 -98.1(2) . . . . ?
C1 B5 B9 B12 -61.0(2) . . . . ?
C1 B5 B10 B6 -39.27(18) . . . . ?
C1 B5 B10 B9 98.8(2) . . . . ?
C1 B5 B10 B11 -2.1(2) . . . . ?
C1 B5 B10 B12 61.3(2) . . . . ?
C1 B6 B10 B5 39.38(17) . . . . ?
C1 B6 B10 B9 1.8(3) . . . . ?
C1 B6 B10 B11 -98.8(2) . . . . ?
C1 B6 B10 B12 -61.9(2) . . . . ?
C1 B6 B11 C2 -36.11(16) . . . . ?
C1 B6 B11 B7 -0.8(2) . . . . ?
C1 B6 B11 B10 99.2(2) . . . . ?
C1 B6 B11 B12 62.5(2) . . . . ?
C1 C1' C2' Ru1 38.1(2) . . . . ?
C1 C1' C2' B3' 107.1(2) . . . . ?
C1 C1' C2' B6' -107.8(2) . . . . ?
C1 C1' C2' B7' 148.92(19) . . . . ?
C1 C1' C2' B11' -146.9(2) . . . . ?
C1 C1' B3' Ru1 -50.3(2) . . . . ?
C1 C1' B3' C2' -102.6(2) . . . . ?
C1 C1' B3' B4' 114.6(2) . . . . ?
C1 C1' B3' B7' -143.7(2) . . . . ?
C1 C1' B3' B8' 153.7(2) . . . . ?
C1 C1' B4' B3' -105.2(2) . . . . ?
C1 C1' B4' B5' 114.9(2) . . . . ?
C1 C1' B4' B8' -143.8(2) . . . . ?
C1 C1' B4' B9' 153.9(2) . . . . ?
C1 C1' B5' B4' -113.2(2) . . . . ?
C1 C1' B5' B6' 105.5(2) . . . . ?
C1 C1' B5' B9' -152.7(2) . . . . ?
C1 C1' B5' B10' 144.2(2) . . . . ?
C1 C1' B6' C2' 104.1(2) . . . . ?
C1 C1' B6' B5' -116.6(2) . . . . ?
C1 C1' B6' B10' -155.5(2) . . . . ?
C1 C1' B6' B11' 141.6(2) . . . . ?
C2 C1 B3 B4 -141.47(19) . . . . ?
C2 C1 B3 B7 -38.09(17) . . . . ?
C2 C1 B3 B8 -101.17(19) . . . . ?
C2 C1 B4 B3 36.39(18) . . . . ?
C2 C1 B4 B5 -105.8(2) . . . . ?
C2 C1 B4 B8 -3.1(2) . . . . ?
C2 C1 B4 B9 -65.3(2) . . . . ?
C2 C1 B5 B4 104.5(2) . . . . ?
C2 C1 B5 B6 -37.45(19) . . . . ?
C2 C1 B5 B9 64.1(2) . . . . ?
C2 C1 B5 B10 1.9(3) . . . . ?
C2 C1 B6 B5 141.1(2) . . . . ?
C2 C1 B6 B10 100.8(2) . . . . ?
C2 C1 B6 B11 37.21(17) . . . . ?
C2 C1 C1' C2' -28.6(3) . . . . ?
C2 C1 C1' B3' 35.6(3) . . . . ?
C2 C1 C1' B4' 108.5(2) . . . . ?
C2 C1 C1' B5' -172.6(2) . . . . ?
C2 C1 C1' B6' -97.1(2) . . . . ?
C2 B3 B4 C1 -33.03(16) . . . . ?
C2 B3 B4 B5 0.3(2) . . . . ?
C2 B3 B4 B8 100.9(2) . . . . ?
C2 B3 B4 B9 63.8(2) . . . . ?
C2 B3 B7 B8 -136.1(2) . . . . ?
C2 B3 B7 B11 -34.97(18) . . . . ?
C2 B3 B7 B12 -98.9(2) . . . . ?
C2 B3 B8 B4 -99.1(2) . . . . ?
C2 B3 B8 B7 38.76(18) . . . . ?
C2 B3 B8 B9 -61.7(2) . . . . ?
C2 B3 B8 B12 1.9(3) . . . . ?
C2 B6 B10 B5 99.0(2) . . . . ?
C2 B6 B10 B9 61.4(2) . . . . ?
C2 B6 B10 B11 -39.27(17) . . . . ?
C2 B6 B10 B12 -2.3(2) . . . . ?
C2 B6 B11 B7 35.28(18) . . . . ?
C2 B6 B11 B10 135.4(2) . . . . ?
C2 B6 B11 B12 98.6(2) . . . . ?
C2 B7 B8 B3 -38.45(18) . . . . ?
C2 B7 B8 B4 -0.4(3) . . . . ?
C2 B7 B8 B9 62.9(2) . . . . ?
C2 B7 B8 B12 100.1(2) . . . . ?
C2 B7 B11 B6 -35.66(18) . . . . ?
C2 B7 B11 B10 -98.4(2) . . . . ?
C2 B7 B11 B12 -135.5(2) . . . . ?
C2 B7 B12 B8 -99.4(2) . . . . ?
C2 B7 B12 B9 -62.2(2) . . . . ?
C2 B7 B12 B10 1.6(2) . . . . ?
C2 B7 B12 B11 39.12(17) . . . . ?
C2 B11 B12 B7 -38.71(17) . . . . ?
C2 B11 B12 B8 -1.6(3) . . . . ?
C2 B11 B12 B9 61.9(2) . . . . ?
C2 B11 B12 B10 99.5(2) . . . . ?
B3 C1 C2 Ru1 -104.56(16) . . . . ?
B3 C1 C2 B6 143.28(19) . . . . ?
B3 C1 C2 B7 39.82(18) . . . . ?
B3 C1 C2 B11 104.81(19) . . . . ?
B3 C1 B4 B5 -142.20(19) . . . . ?
B3 C1 B4 B8 -39.45(18) . . . . ?
B3 C1 B4 B9 -101.6(2) . . . . ?
B3 C1 B5 B4 36.62(19) . . . . ?
B3 C1 B5 B6 -105.3(2) . . . . ?
B3 C1 B5 B9 -3.7(2) . . . . ?
B3 C1 B5 B10 -66.0(2) . . . . ?
B3 C1 B6 C2 -34.97(18) . . . . ?
B3 C1 B6 B5 106.1(2) . . . . ?
B3 C1 B6 B10 65.8(2) . . . . ?
B3 C1 B6 B11 2.2(2) . . . . ?
B3 C1 C1' C2' 39.1(3) . . . . ?
B3 C1 C1' B3' 103.3(2) . . . . ?
B3 C1 C1' B4' 176.31(19) . . . . ?
B3 C1 C1' B5' -104.8(2) . . . . ?
B3 C1 C1' B6' -29.3(3) . . . . ?
B3 C2 B6 C1 34.53(18) . . . . ?
B3 C2 B6 B5 0.7(2) . . . . ?
B3 C2 B6 B10 -62.6(2) . . . . ?
B3 C2 B6 B11 -102.7(2) . . . . ?
B3 C2 B7 B8 38.52(18) . . . . ?
B3 C2 B7 B11 141.0(2) . . . . ?
B3 C2 B7 B12 101.5(2) . . . . ?
B3 C2 B11 B6 104.1(2) . . . . ?
B3 C2 B11 B7 -36.21(18) . . . . ?
B3 C2 B11 B10 65.2(2) . . . . ?
B3 C2 B11 B12 2.9(2) . . . . ?
B3 B4 B5 C1 -33.54(17) . . . . ?
B3 B4 B5 B6 0.1(3) . . . . ?
B3 B4 B5 B9 99.9(2) . . . . ?
B3 B4 B5 B10 62.4(2) . . . . ?
B3 B4 B8 B7 -37.53(18) . . . . ?
B3 B4 B8 B9 -138.2(2) . . . . ?
B3 B4 B8 B12 -100.6(2) . . . . ?
B3 B4 B9 B5 -101.3(2) . . . . ?
B3 B4 B9 B8 36.64(18) . . . . ?
B3 B4 B9 B10 -63.8(2) . . . . ?
B3 B4 B9 B12 -0.9(3) . . . . ?
B3 B7 B8 B4 38.07(18) . . . . ?
B3 B7 B8 B9 101.3(2) . . . . ?
B3 B7 B8 B12 138.5(2) . . . . ?
B3 B7 B11 C2 34.89(17) . . . . ?
B3 B7 B11 B6 -0.8(3) . . . . ?
B3 B7 B11 B10 -63.5(2) . . . . ?
B3 B7 B11 B12 -100.6(2) . . . . ?
B3 B7 B12 B8 -36.91(18) . . . . ?
B3 B7 B12 B9 0.3(3) . . . . ?
B3 B7 B12 B10 64.1(2) . . . . ?
B3 B7 B12 B11 101.6(2) . . . . ?
B3 B8 B9 B4 -37.80(18) . . . . ?
B3 B8 B9 B5 -0.2(3) . . . . ?
B3 B8 B9 B10 63.1(2) . . . . ?
B3 B8 B9 B12 100.1(2) . . . . ?
B3 B8 B12 B7 36.79(18) . . . . ?
B3 B8 B12 B9 -101.6(2) . . . . ?
B3 B8 B12 B10 -64.1(2) . . . . ?
B3 B8 B12 B11 -0.2(3) . . . . ?
B4 C1 C2 Ru1 -141.43(16) . . . . ?
B4 C1 C2 B3 -36.87(18) . . . . ?
B4 C1 C2 B6 106.4(2) . . . . ?
B4 C1 C2 B7 2.9(2) . . . . ?
B4 C1 C2 B11 67.9(2) . . . . ?
B4 C1 B3 C2 141.47(19) . . . . ?
B4 C1 B3 B7 103.4(2) . . . . ?
B4 C1 B3 B8 40.30(18) . . . . ?
B4 C1 B5 B6 -141.9(2) . . . . ?
B4 C1 B5 B9 -40.37(18) . . . . ?
B4 C1 B5 B10 -102.6(2) . . . . ?
B4 C1 B6 C2 -104.2(2) . . . . ?
B4 C1 B6 B5 36.9(2) . . . . ?
B4 C1 B6 B10 -3.5(3) . . . . ?
B4 C1 B6 B11 -67.0(2) . . . . ?
B4 C1 C1' C2' 113.0(2) . . . . ?
B4 C1 C1' B3' 177.2(2) . . . . ?
B4 C1 C1' B4' -109.8(3) . . . . ?
B4 C1 C1' B5' -31.0(3) . . . . ?
B4 C1 C1' B6' 44.5(3) . . . . ?
B4 B3 B7 C2 98.0(2) . . . . ?
B4 B3 B7 B8 -38.03(18) . . . . ?
B4 B3 B7 B11 63.1(2) . . . . ?
B4 B3 B7 B12 -0.9(3) . . . . ?
B4 B3 B8 B7 137.8(2) . . . . ?
B4 B3 B8 B9 37.38(18) . . . . ?
B4 B3 B8 B12 101.0(2) . . . . ?
B4 B5 B6 C1 -33.70(18) . . . . ?
B4 B5 B6 C2 -0.5(3) . . . . ?
B4 B5 B6 B10 100.4(2) . . . . ?
B4 B5 B6 B11 62.1(2) . . . . ?
B4 B5 B9 B8 -37.66(18) . . . . ?
B4 B5 B9 B10 -138.0(2) . . . . ?
B4 B5 B9 B12 -100.9(2) . . . . ?
B4 B5 B10 B6 -100.6(2) . . . . ?
B4 B5 B10 B9 37.42(18) . . . . ?
B4 B5 B10 B11 -63.5(2) . . . . ?
B4 B5 B10 B12 -0.1(3) . . . . ?
B4 B8 B9 B5 37.64(18) . . . . ?
B4 B8 B9 B10 100.9(2) . . . . ?
B4 B8 B9 B12 137.9(2) . . . . ?
B4 B8 B12 B7 100.9(2) . . . . ?
B4 B8 B12 B9 -37.47(19) . . . . ?
B4 B8 B12 B10 0.1(3) . . . . ?
B4 B8 B12 B11 64.0(2) . . . . ?
B4 B9 B10 B5 -37.54(19) . . . . ?
B4 B9 B10 B6 0.3(3) . . . . ?
B4 B9 B10 B11 63.3(2) . . . . ?
B4 B9 B10 B12 100.7(2) . . . . ?
B4 B9 B12 B7 0.4(3) . . . . ?
B4 B9 B12 B8 37.62(19) . . . . ?
B4 B9 B12 B10 -100.6(2) . . . . ?
B4 B9 B12 B11 -62.9(2) . . . . ?
B5 C1 C2 Ru1 149.71(16) . . . . ?
B5 C1 C2 B3 -105.7(2) . . . . ?
B5 C1 C2 B6 37.55(19) . . . . ?
B5 C1 C2 B7 -65.9(2) . . . . ?
B5 C1 C2 B11 -0.9(3) . . . . ?
B5 C1 B3 C2 104.8(2) . . . . ?
B5 C1 B3 B4 -36.63(19) . . . . ?
B5 C1 B3 B7 66.7(2) . . . . ?
B5 C1 B3 B8 3.7(2) . . . . ?
B5 C1 B4 B3 142.20(19) . . . . ?
B5 C1 B4 B8 102.8(2) . . . . ?
B5 C1 B4 B9 40.56(18) . . . . ?
B5 C1 B6 C2 -141.1(2) . . . . ?
B5 C1 B6 B10 -40.34(19) . . . . ?
B5 C1 B6 B11 -103.9(2) . . . . ?
B5 C1 C1' C2' -169.37(19) . . . . ?
B5 C1 C1' B3' -105.2(2) . . . . ?
B5 C1 C1' B4' -32.2(3) . . . . ?
B5 C1 C1' B5' 46.6(3) . . . . ?
B5 C1 C1' B6' 122.2(2) . . . . ?
B5 B4 B8 B3 100.5(2) . . . . ?
B5 B4 B8 B7 63.0(2) . . . . ?
B5 B4 B8 B9 -37.71(18) . . . . ?
B5 B4 B8 B12 -0.1(3) . . . . ?
B5 B4 B9 B8 137.9(2) . . . . ?
B5 B4 B9 B10 37.47(19) . . . . ?
B5 B4 B9 B12 100.4(2) . . . . ?
B5 B6 B10 B9 -37.59(19) . . . . ?
B5 B6 B10 B11 -138.2(2) . . . . ?
B5 B6 B10 B12 -101.2(2) . . . . ?
B5 B6 B11 C2 -97.4(2) . . . . ?
B5 B6 B11 B7 -62.2(2) . . . . ?
B5 B6 B11 B10 37.92(18) . . . . ?
B5 B6 B11 B12 1.2(3) . . . . ?
B5 B9 B10 B6 37.84(19) . . . . ?
B5 B9 B10 B11 100.8(2) . . . . ?
B5 B9 B10 B12 138.2(2) . . . . ?
B5 B9 B12 B7 63.7(2) . . . . ?
B5 B9 B12 B8 101.0(2) . . . . ?
B5 B9 B12 B10 -37.22(18) . . . . ?
B5 B9 B12 B11 0.4(3) . . . . ?
B5 B10 B11 C2 1.7(2) . . . . ?
B5 B10 B11 B6 -37.63(18) . . . . ?
B5 B10 B11 B7 63.7(2) . . . . ?
B5 B10 B11 B12 100.9(2) . . . . ?
B5 B10 B12 B7 -63.6(2) . . . . ?
B5 B10 B12 B8 0.0(3) . . . . ?
B5 B10 B12 B9 37.41(18) . . . . ?
B5 B10 B12 B11 -100.8(2) . . . . ?
B6 C1 C2 Ru1 112.17(17) . . . . ?
B6 C1 C2 B3 -143.28(19) . . . . ?
B6 C1 C2 B7 -103.5(2) . . . . ?
B6 C1 C2 B11 -38.46(18) . . . . ?
B6 C1 B3 C2 35.39(18) . . . . ?
B6 C1 B3 B4 -106.1(2) . . . . ?
B6 C1 B3 B7 -2.7(2) . . . . ?
B6 C1 B3 B8 -65.8(2) . . . . ?
B6 C1 B4 B3 105.3(2) . . . . ?
B6 C1 B4 B5 -36.93(19) . . . . ?
B6 C1 B4 B8 65.8(2) . . . . ?
B6 C1 B4 B9 3.6(3) . . . . ?
B6 C1 B5 B4 141.9(2) . . . . ?
B6 C1 B5 B9 101.6(2) . . . . ?
B6 C1 B5 B10 39.36(18) . . . . ?
B6 C1 C1' C2' -97.1(2) . . . . ?
B6 C1 C1' B3' -32.9(3) . . . . ?
B6 C1 C1' B4' 40.0(3) . . . . ?
B6 C1 C1' B5' 118.9(2) . . . . ?
B6 C1 C1' B6' -165.60(19) . . . . ?
B6 C2 B3 C1 -34.15(17) . . . . ?
B6 C2 B3 B4 -0.6(2) . . . . ?
B6 C2 B3 B7 102.0(2) . . . . ?
B6 C2 B3 B8 62.6(2) . . . . ?
B6 C2 B7 B3 -104.6(2) . . . . ?
B6 C2 B7 B8 -66.1(2) . . . . ?
B6 C2 B7 B11 36.40(18) . . . . ?
B6 C2 B7 B12 -3.1(2) . . . . ?
B6 C2 B11 B7 -140.3(2) . . . . ?
B6 C2 B11 B10 -38.95(18) . . . . ?
B6 C2 B11 B12 -101.2(2) . . . . ?
B6 B5 B9 B4 101.2(2) . . . . ?
B6 B5 B9 B8 63.5(2) . . . . ?
B6 B5 B9 B10 -36.81(18) . . . . ?
B6 B5 B9 B12 0.3(3) . . . . ?
B6 B5 B10 B9 138.1(2) . . . . ?
B6 B5 B10 B11 37.15(18) . . . . ?
B6 B5 B10 B12 100.6(2) . . . . ?
B6 B10 B11 C2 39.29(17) . . . . ?
B6 B10 B11 B7 101.3(2) . . . . ?
B6 B10 B11 B12 138.5(2) . . . . ?
B6 B10 B12 B7 0.5(3) . . . . ?
B6 B10 B12 B8 64.0(2) . . . . ?
B6 B10 B12 B9 101.4(2) . . . . ?
B6 B10 B12 B11 -36.79(18) . . . . ?
B6 B11 B12 B7 -101.6(2) . . . . ?
B6 B11 B12 B8 -64.5(2) . . . . ?
B6 B11 B12 B9 -1.0(3) . . . . ?
B6 B11 B12 B10 36.62(18) . . . . ?
B7 C2 B3 C1 -136.12(19) . . . . ?
B7 C2 B3 B4 -102.6(2) . . . . ?
B7 C2 B3 B8 -39.35(18) . . . . ?
B7 C2 B6 C1 100.53(19) . . . . ?
B7 C2 B6 B5 66.7(2) . . . . ?
B7 C2 B6 B10 3.4(2) . . . . ?
B7 C2 B6 B11 -36.72(18) . . . . ?
B7 C2 B11 B6 140.3(2) . . . . ?
B7 C2 B11 B10 101.4(2) . . . . ?
B7 C2 B11 B12 39.10(18) . . . . ?
B7 B3 B4 C1 -95.7(2) . . . . ?
B7 B3 B4 B5 -62.4(2) . . . . ?
B7 B3 B4 B8 38.26(18) . . . . ?
B7 B3 B4 B9 1.1(2) . . . . ?
B7 B3 B8 B4 -137.8(2) . . . . ?
B7 B3 B8 B9 -100.4(2) . . . . ?
B7 B3 B8 B12 -36.86(19) . . . . ?
B7 B8 B9 B4 -100.9(2) . . . . ?
B7 B8 B9 B5 -63.2(2) . . . . ?
B7 B8 B9 B10 0.0(3) . . . . ?
B7 B8 B9 B12 37.06(19) . . . . ?
B7 B8 B12 B9 -138.4(2) . . . . ?
B7 B8 B12 B10 -100.9(2) . . . . ?
B7 B8 B12 B11 -36.95(19) . . . . ?
B7 B11 B12 B8 37.10(19) . . . . ?
B7 B11 B12 B9 100.6(2) . . . . ?
B7 B11 B12 B10 138.2(2) . . . . ?
B8 B3 B4 C1 -134.0(2) . . . . ?
B8 B3 B4 B5 -100.6(2) . . . . ?
B8 B3 B4 B9 -37.17(18) . . . . ?
B8 B3 B7 C2 136.1(2) . . . . ?
B8 B3 B7 B11 101.1(2) . . . . ?
B8 B3 B7 B12 37.18(19) . . . . ?
B8 B4 B5 C1 -95.8(2) . . . . ?
B8 B4 B5 B6 -62.1(2) . . . . ?
B8 B4 B5 B9 37.67(18) . . . . ?
B8 B4 B5 B10 0.1(3) . . . . ?
B8 B4 B9 B5 -137.9(2) . . . . ?
B8 B4 B9 B10 -100.4(2) . . . . ?
B8 B4 B9 B12 -37.53(19) . . . . ?
B8 B7 B11 C2 98.2(2) . . . . ?
B8 B7 B11 B6 62.5(2) . . . . ?
B8 B7 B11 B10 -0.2(3) . . . . ?
B8 B7 B11 B12 -37.32(19) . . . . ?
B8 B7 B12 B9 37.21(19) . . . . ?
B8 B7 B12 B10 101.0(2) . . . . ?
B8 B7 B12 B11 138.6(2) . . . . ?
B8 B9 B10 B5 -101.0(2) . . . . ?
B8 B9 B10 B6 -63.1(2) . . . . ?
B8 B9 B10 B11 -0.1(3) . . . . ?
B8 B9 B10 B12 37.23(18) . . . . ?
B8 B9 B12 B7 -37.24(19) . . . . ?
B8 B9 B12 B10 -138.2(2) . . . . ?
B8 B9 B12 B11 -100.5(2) . . . . ?
B9 B4 B5 C1 -133.5(2) . . . . ?
B9 B4 B5 B6 -99.8(2) . . . . ?
B9 B4 B5 B10 -37.56(19) . . . . ?
B9 B4 B8 B3 138.2(2) . . . . ?
B9 B4 B8 B7 100.7(2) . . . . ?
B9 B4 B8 B12 37.60(19) . . . . ?
B9 B5 B6 C1 -96.7(2) . . . . ?
B9 B5 B6 C2 -63.5(2) . . . . ?
B9 B5 B6 B10 37.34(19) . . . . ?
B9 B5 B6 B11 -0.9(3) . . . . ?
B9 B5 B10 B6 -138.1(2) . . . . ?
B9 B5 B10 B11 -100.9(2) . . . . ?
B9 B5 B10 B12 -37.49(19) . . . . ?
B9 B8 B12 B7 138.4(2) . . . . ?
B9 B8 B12 B10 37.54(19) . . . . ?
B9 B8 B12 B11 101.5(2) . . . . ?
B9 B10 B11 C2 -61.8(2) . . . . ?
B9 B10 B11 B6 -101.1(2) . . . . ?
B9 B10 B11 B7 0.2(3) . . . . ?
B9 B10 B11 B12 37.44(18) . . . . ?
B9 B10 B12 B7 -101.0(2) . . . . ?
B9 B10 B12 B8 -37.41(18) . . . . ?
B9 B10 B12 B11 -138.2(2) . . . . ?
B10 B5 B6 C1 -134.1(2) . . . . ?
B10 B5 B6 C2 -100.8(2) . . . . ?
B10 B5 B6 B11 -38.22(19) . . . . ?
B10 B5 B9 B4 138.0(2) . . . . ?
B10 B5 B9 B8 100.3(2) . . . . ?
B10 B5 B9 B12 37.07(18) . . . . ?
B10 B6 B11 C2 -135.4(2) . . . . ?
B10 B6 B11 B7 -100.1(2) . . . . ?
B10 B6 B11 B12 -36.76(18) . . . . ?
B10 B9 B12 B7 101.0(2) . . . . ?
B10 B9 B12 B8 138.2(2) . . . . ?
B10 B9 B12 B11 37.67(19) . . . . ?
B10 B11 B12 B7 -138.2(2) . . . . ?
B10 B11 B12 B8 -101.1(2) . . . . ?
B10 B11 B12 B9 -37.60(19) . . . . ?
B11 C2 B3 C1 -99.8(2) . . . . ?
B11 C2 B3 B4 -66.3(2) . . . . ?
B11 C2 B3 B7 36.31(19) . . . . ?
B11 C2 B3 B8 -3.0(2) . . . . ?
B11 C2 B6 C1 137.25(19) . . . . ?
B11 C2 B6 B5 103.4(2) . . . . ?
B11 C2 B6 B10 40.08(18) . . . . ?
B11 C2 B7 B3 -141.0(2) . . . . ?
B11 C2 B7 B8 -102.5(2) . . . . ?
B11 C2 B7 B12 -39.45(18) . . . . ?
B11 B6 B10 B5 138.2(2) . . . . ?
B11 B6 B10 B9 100.6(2) . . . . ?
B11 B6 B10 B12 36.99(18) . . . . ?
B11 B7 B8 B3 -101.2(2) . . . . ?
B11 B7 B8 B4 -63.1(2) . . . . ?
B11 B7 B8 B9 0.1(3) . . . . ?
B11 B7 B8 B12 37.37(19) . . . . ?
B11 B7 B12 B8 -138.6(2) . . . . ?
B11 B7 B12 B9 -101.3(2) . . . . ?
B11 B7 B12 B10 -37.56(19) . . . . ?
B11 B10 B12 B7 37.25(18) . . . . ?
B11 B10 B12 B8 100.8(2) . . . . ?
B11 B10 B12 B9 138.2(2) . . . . ?
B12 B7 B8 B3 -138.5(2) . . . . ?
B12 B7 B8 B4 -100.5(2) . . . . ?
B12 B7 B8 B9 -37.23(19) . . . . ?
B12 B7 B11 C2 135.5(2) . . . . ?
B12 B7 B11 B6 99.8(2) . . . . ?
B12 B7 B11 B10 37.10(18) . . . . ?
B12 B8 B9 B4 -137.9(2) . . . . ?
B12 B8 B9 B5 -100.3(2) . . . . ?
B12 B8 B9 B10 -37.07(18) . . . . ?
B12 B9 B10 B5 -138.2(2) . . . . ?
B12 B9 B10 B6 -100.3(2) . . . . ?
B12 B9 B10 B11 -37.34(18) . . . . ?
B12 B10 B11 C2 -99.3(2) . . . . ?
B12 B10 B11 B6 -138.5(2) . . . . ?
B12 B10 B11 B7 -37.24(18) . . . . ?
C1' C1 C2 Ru1 5.0(2) . . . . ?
C1' C1 C2 B3 109.6(2) . . . . ?
C1' C1 C2 B6 -107.1(2) . . . . ?
C1' C1 C2 B7 149.41(19) . . . . ?
C1' C1 C2 B11 -145.59(19) . . . . ?
C1' C1 B3 C2 -101.2(2) . . . . ?
C1' C1 B3 B4 117.4(2) . . . . ?
C1' C1 B3 B7 -139.2(2) . . . . ?
C1' C1 B3 B8 157.68(19) . . . . ?
C1' C1 B4 B3 -104.8(2) . . . . ?
C1' C1 B4 B5 113.0(2) . . . . ?
C1' C1 B4 B8 -144.3(2) . . . . ?
C1' C1 B4 B9 153.5(2) . . . . ?
C1' C1 B5 B4 -115.5(2) . . . . ?
C1' C1 B5 B6 102.6(2) . . . . ?
C1' C1 B5 B9 -155.9(2) . . . . ?
C1' C1 B5 B10 141.9(2) . . . . ?
C1' C1 B6 C2 102.6(2) . . . . ?
C1' C1 B6 B5 -116.3(2) . . . . ?
C1' C1 B6 B10 -156.6(2) . . . . ?
C1' C1 B6 B11 139.8(2) . . . . ?
C1' C2' B3' Ru1 -112.82(13) . . . . ?
C1' C2' B3' B4' 32.79(17) . . . . ?
C1' C2' B3' B7' 134.61(18) . . . . ?
C1' C2' B3' B8' 97.2(2) . . . . ?
C1' C2' B6' B5' -34.54(17) . . . . ?
C1' C2' B6' B10' -96.9(2) . . . . ?
C1' C2' B6' B11' -136.9(2) . . . . ?
C1' C2' B7' B3' -41.76(17) . . . . ?
C1' C2' B7' B8' -5.1(2) . . . . ?
C1' C2' B7' B11' 100.17(19) . . . . ?
C1' C2' B7' B12' 59.3(2) . . . . ?
C1' C2' B11' B6' 38.12(18) . . . . ?
C1' C2' B11' B7' -102.44(19) . . . . ?
C1' C2' B11' B10' -1.4(2) . . . . ?
C1' C2' B11' B12' -63.2(2) . . . . ?
C1' B3' B4' B5' 34.13(17) . . . . ?
C1' B3' B4' B8' 135.6(2) . . . . ?
C1' B3' B4' B9' 96.0(2) . . . . ?
C1' B3' B7' C2' 40.49(16) . . . . ?
C1' B3' B7' B8' -97.9(2) . . . . ?
C1' B3' B7' B11' 7.2(2) . . . . ?
C1' B3' B7' B12' -57.6(2) . . . . ?
C1' B3' B8' B4' -37.94(18) . . . . ?
C1' B3' B8' B7' 101.7(2) . . . . ?
C1' B3' B8' B9' 1.4(2) . . . . ?
C1' B3' B8' B12' 63.5(2) . . . . ?
C1' B4' B5' B6' 33.93(17) . . . . ?
C1' B4' B5' B9' 134.6(2) . . . . ?
C1' B4' B5' B10' 96.4(2) . . . . ?
C1' B4' B8' B3' 38.61(18) . . . . ?
C1' B4' B8' B7' 2.3(3) . . . . ?
C1' B4' B8' B9' -96.5(2) . . . . ?
C1' B4' B8' B12' -60.0(2) . . . . ?
C1' B4' B9' B5' -37.74(17) . . . . ?
C1' B4' B9' B8' 100.5(2) . . . . ?
C1' B4' B9' B10' 0.1(3) . . . . ?
C1' B4' B9' B12' 63.3(2) . . . . ?
C1' B5' B6' C2' 35.59(17) . . . . ?
C1' B5' B6' B10' 135.2(2) . . . . ?
C1' B5' B6' B11' 97.4(2) . . . . ?
C1' B5' B9' B4' 38.98(18) . . . . ?
C1' B5' B9' B8' 1.3(3) . . . . ?
C1' B5' B9' B10' -98.7(2) . . . . ?
C1' B5' B9' B12' -62.8(2) . . . . ?
C1' B5' B10' B6' -38.42(18) . . . . ?
C1' B5' B10' B9' 99.1(2) . . . . ?
C1' B5' B10' B11' -1.0(3) . . . . ?
C1' B5' B10' B12' 63.1(2) . . . . ?
C1' B6' B10' B5' 37.44(17) . . . . ?
C1' B6' B10' B9' -0.2(3) . . . . ?
C1' B6' B10' B11' -100.7(2) . . . . ?
C1' B6' B10' B12' -63.4(2) . . . . ?
C1' B6' B11' C2' -37.63(17) . . . . ?
C1' B6' B11' B7' -1.7(3) . . . . ?
C1' B6' B11' B10' 97.2(2) . . . . ?
C1' B6' B11' B12' 60.6(2) . . . . ?
C2' C1' B3' Ru1 52.32(12) . . . . ?
C2' C1' B3' B4' -142.82(19) . . . . ?
C2' C1' B3' B7' -41.17(17) . . . . ?
C2' C1' B3' B8' -103.7(2) . . . . ?
C2' C1' B4' B3' 33.06(17) . . . . ?
C2' C1' B4' B5' -106.8(2) . . . . ?
C2' C1' B4' B8' -5.5(2) . . . . ?
C2' C1' B4' B9' -67.9(2) . . . . ?
C2' C1' B5' B4' 102.7(2) . . . . ?
C2' C1' B5' B6' -38.63(19) . . . . ?
C2' C1' B5' B9' 63.2(2) . . . . ?
C2' C1' B5' B10' 0.1(3) . . . . ?
C2' C1' B6' B5' 139.3(2) . . . . ?
C2' C1' B6' B10' 100.4(2) . . . . ?
C2' C1' B6' B11' 37.48(17) . . . . ?
C2' B3' B4' C1' -33.72(18) . . . . ?
C2' B3' B4' B5' 0.4(2) . . . . ?
C2' B3' B4' B8' 101.9(2) . . . . ?
C2' B3' B4' B9' 62.3(2) . . . . ?
C2' B3' B7' B8' -138.4(2) . . . . ?
C2' B3' B7' B11' -33.27(18) . . . . ?
C2' B3' B7' B12' -98.1(2) . . . . ?
C2' B3' B8' B4' -101.4(2) . . . . ?
C2' B3' B8' B7' 38.32(19) . . . . ?
C2' B3' B8' B9' -62.0(2) . . . . ?
C2' B3' B8' B12' 0.0(3) . . . . ?
C2' B6' B10' B5' 98.9(2) . . . . ?
C2' B6' B10' B9' 61.3(2) . . . . ?
C2' B6' B10' B11' -39.19(18) . . . . ?
C2' B6' B10' B12' -1.9(3) . . . . ?
C2' B6' B11' B7' 35.93(18) . . . . ?
C2' B6' B11' B10' 134.8(2) . . . . ?
C2' B6' B11' B12' 98.3(2) . . . . ?
C2' B7' B8' B3' -34.81(17) . . . . ?
C2' B7' B8' B4' 1.7(3) . . . . ?
C2' B7' B8' B9' 64.5(2) . . . . ?
C2' B7' B8' B12' 101.0(2) . . . . ?
C2' B7' B11' B6' -35.51(18) . . . . ?
C2' B7' B11' B10' -98.6(2) . . . . ?
C2' B7' B11' B12' -134.7(2) . . . . ?
C2' B7' B12' B8' -98.5(2) . . . . ?
C2' B7' B12' B9' -61.5(3) . . . . ?
C2' B7' B12' B10' 2.8(3) . . . . ?
C2' B7' B12' B11' 39.45(18) . . . . ?
C2' B11' B12' B7' -40.04(18) . . . . ?
C2' B11' B12' B8' -2.9(3) . . . . ?
C2' B11' B12' B9' 60.5(2) . . . . ?
C2' B11' B12' B10' 99.1(2) . . . . ?
B3' C1' C2' Ru1 -68.94(14) . . . . ?
B3' C1' C2' B6' 145.1(2) . . . . ?
B3' C1' C2' B7' 41.85(17) . . . . ?
B3' C1' C2' B11' 106.0(2) . . . . ?
B3' C1' B4' B5' -139.9(2) . . . . ?
B3' C1' B4' B8' -38.58(18) . . . . ?
B3' C1' B4' B9' -100.9(2) . . . . ?
B3' C1' B5' B4' 39.05(19) . . . . ?
B3' C1' B5' B6' -102.3(2) . . . . ?
B3' C1' B5' B9' -0.5(3) . . . . ?
B3' C1' B5' B10' -63.5(2) . . . . ?
B3' C1' B6' C2' -31.07(17) . . . . ?
B3' C1' B6' B5' 108.2(2) . . . . ?
B3' C1' B6' B10' 69.3(2) . . . . ?
B3' C1' B6' B11' 6.4(2) . . . . ?
B3' C2' B6' C1' 33.13(18) . . . . ?
B3' C2' B6' B5' -1.4(3) . . . . ?
B3' C2' B6' B10' -63.8(2) . . . . ?
B3' C2' B6' B11' -103.8(2) . . . . ?
B3' C2' B7' B8' 36.71(18) . . . . ?
B3' C2' B7' B11' 141.9(2) . . . . ?
B3' C2' B7' B12' 101.1(2) . . . . ?
B3' C2' B11' B6' 104.5(2) . . . . ?
B3' C2' B11' B7' -36.07(19) . . . . ?
B3' C2' B11' B10' 65.0(2) . . . . ?
B3' C2' B11' B12' 3.1(3) . . . . ?
B3' B4' B5' C1' -35.18(17) . . . . ?
B3' B4' B5' B6' -1.2(2) . . . . ?
B3' B4' B5' B9' 99.4(2) . . . . ?
B3' B4' B5' B10' 61.3(2) . . . . ?
B3' B4' B8' B7' -36.36(19) . . . . ?
B3' B4' B8' B9' -135.1(2) . . . . ?
B3' B4' B8' B12' -98.6(2) . . . . ?
B3' B4' B9' B5' -99.2(2) . . . . ?
B3' B4' B9' B8' 39.12(18) . . . . ?
B3' B4' B9' B10' -61.3(2) . . . . ?
B3' B4' B9' B12' 1.9(3) . . . . ?
B3' B7' B8' B4' 36.46(19) . . . . ?
B3' B7' B8' B9' 99.3(2) . . . . ?
B3' B7' B8' B12' 135.8(2) . . . . ?
B3' B7' B11' C2' 32.09(17) . . . . ?
B3' B7' B11' B6' -3.4(3) . . . . ?
B3' B7' B11' B10' -66.6(2) . . . . ?
B3' B7' B11' B12' -102.6(2) . . . . ?
B3' B7' B12' B8' -39.58(19) . . . . ?
B3' B7' B12' B9' -2.5(3) . . . . ?
B3' B7' B12' B10' 61.8(3) . . . . ?
B3' B7' B12' B11' 98.4(2) . . . . ?
B3' B8' B9' B4' -39.67(19) . . . . ?
B3' B8' B9' B5' -1.7(3) . . . . ?
B3' B8' B9' B10' 61.8(2) . . . . ?
B3' B8' B9' B12' 99.1(2) . . . . ?
B3' B8' B12' B7' 38.86(19) . . . . ?
B3' B8' B12' B9' -99.7(2) . . . . ?
B3' B8' B12' B10' -61.7(2) . . . . ?
B3' B8' B12' B11' 1.8(3) . . . . ?
B4' C1' C2' Ru1 -103.97(17) . . . . ?
B4' C1' C2' B3' -35.04(18) . . . . ?
B4' C1' C2' B6' 110.1(2) . . . . ?
B4' C1' C2' B7' 6.8(2) . . . . ?
B4' C1' C2' B11' 71.0(2) . . . . ?
B4' C1' B3' Ru1 -164.86(16) . . . . ?
B4' C1' B3' C2' 142.82(19) . . . . ?
B4' C1' B3' B7' 101.7(2) . . . . ?
B4' C1' B3' B8' 39.14(18) . . . . ?
B4' C1' B5' B6' -141.3(2) . . . . ?
B4' C1' B5' B9' -39.50(18) . . . . ?
B4' C1' B5' B10' -102.6(2) . . . . ?
B4' C1' B6' C2' -100.1(2) . . . . ?
B4' C1' B6' B5' 39.2(2) . . . . ?
B4' C1' B6' B10' 0.3(3) . . . . ?
B4' C1' B6' B11' -62.6(2) . . . . ?
B4' B3' B7' C2' 101.8(2) . . . . ?
B4' B3' B7' B8' -36.52(19) . . . . ?
B4' B3' B7' B11' 68.6(2) . . . . ?
B4' B3' B7' B12' 3.7(3) . . . . ?
B4' B3' B8' B7' 139.7(2) . . . . ?
B4' B3' B8' B9' 39.33(19) . . . . ?
B4' B3' B8' B12' 101.4(2) . . . . ?
B4' B5' B6' C1' -33.99(17) . . . . ?
B4' B5' B6' C2' 1.6(2) . . . . ?
B4' B5' B6' B10' 101.2(2) . . . . ?
B4' B5' B6' B11' 63.4(2) . . . . ?
B4' B5' B9' B8' -37.65(19) . . . . ?
B4' B5' B9' B10' -137.7(2) . . . . ?
B4' B5' B9' B12' -101.8(2) . . . . ?
B4' B5' B10' B6' -99.7(2) . . . . ?
B4' B5' B10' B9' 37.73(19) . . . . ?
B4' B5' B10' B11' -62.3(2) . . . . ?
B4' B5' B10' B12' 1.8(3) . . . . ?
B4' B8' B9' B5' 37.96(19) . . . . ?
B4' B8' B9' B10' 101.5(2) . . . . ?
B4' B8' B9' B12' 138.8(2) . . . . ?
B4' B8' B12' B7' 102.0(2) . . . . ?
B4' B8' B12' B9' -36.56(19) . . . . ?
B4' B8' B12' B10' 1.5(3) . . . . ?
B4' B8' B12' B11' 65.0(2) . . . . ?
B4' B9' B10' B5' -38.33(19) . . . . ?
B4' B9' B10' B6' 0.0(3) . . . . ?
B4' B9' B10' B11' 63.1(2) . . . . ?
B4' B9' B10' B12' 101.4(2) . . . . ?
B4' B9' B12' B7' 0.4(3) . . . . ?
B4' B9' B12' B8' 37.17(19) . . . . ?
B4' B9' B12' B10' -100.8(2) . . . . ?
B4' B9' B12' B11' -62.5(3) . . . . ?
B5' C1' C2' Ru1 -174.13(16) . . . . ?
B5' C1' C2' B3' -105.2(2) . . . . ?
B5' C1' C2' B6' 39.9(2) . . . . ?
B5' C1' C2' B7' -63.3(2) . . . . ?
B5' C1' C2' B11' 0.8(3) . . . . ?
B5' C1' B3' Ru1 155.38(17) . . . . ?
B5' C1' B3' C2' 103.1(2) . . . . ?
B5' C1' B3' B4' -39.8(2) . . . . ?
B5' C1' B3' B7' 61.9(2) . . . . ?
B5' C1' B3' B8' -0.6(3) . . . . ?
B5' C1' B4' B3' 139.9(2) . . . . ?
B5' C1' B4' B8' 101.3(2) . . . . ?
B5' C1' B4' B9' 38.94(18) . . . . ?
B5' C1' B6' C2' -139.3(2) . . . . ?
B5' C1' B6' B10' -38.86(18) . . . . ?
B5' C1' B6' B11' -101.8(2) . . . . ?
B5' B4' B8' B3' 98.2(2) . . . . ?
B5' B4' B8' B7' 61.8(2) . . . . ?
B5' B4' B8' B9' -36.92(18) . . . . ?
B5' B4' B8' B12' -0.4(2) . . . . ?
B5' B4' B9' B8' 138.3(2) . . . . ?
B5' B4' B9' B10' 37.87(19) . . . . ?
B5' B4' B9' B12' 101.0(2) . . . . ?
B5' B6' B10' B9' -37.64(19) . . . . ?
B5' B6' B10' B11' -138.1(2) . . . . ?
B5' B6' B10' B12' -100.8(2) . . . . ?
B5' B6' B11' C2' -97.4(2) . . . . ?
B5' B6' B11' B7' -61.4(2) . . . . ?
B5' B6' B11' B10' 37.43(19) . . . . ?
B5' B6' B11' B12' 0.9(3) . . . . ?
B5' B9' B10' B6' 38.37(19) . . . . ?
B5' B9' B10' B11' 101.4(2) . . . . ?
B5' B9' B10' B12' 139.8(2) . . . . ?
B5' B9' B12' B7' 65.0(3) . . . . ?
B5' B9' B12' B8' 101.8(2) . . . . ?
B5' B9' B12' B10' -36.08(19) . . . . ?
B5' B9' B12' B11' 2.2(3) . . . . ?
B5' B10' B11' C2' 1.5(3) . . . . ?
B5' B10' B11' B6' -37.98(19) . . . . ?
B5' B10' B11' B7' 64.9(2) . . . . ?
B5' B10' B11' B12' 100.7(2) . . . . ?
B5' B10' B12' B7' -65.1(2) . . . . ?
B5' B10' B12' B8' -2.1(3) . . . . ?
B5' B10' B12' B9' 35.76(18) . . . . ?
B5' B10' B12' B11' -101.5(2) . . . . ?
B6' C1' C2' Ru1 145.93(17) . . . . ?
B6' C1' C2' B3' -145.13(19) . . . . ?
B6' C1' C2' B7' -103.3(2) . . . . ?
B6' C1' C2' B11' -39.12(19) . . . . ?
B6' C1' B3' Ru1 84.78(17) . . . . ?
B6' C1' B3' C2' 32.46(18) . . . . ?
B6' C1' B3' B4' -110.4(2) . . . . ?
B6' C1' B3' B7' -8.7(2) . . . . ?
B6' C1' B3' B8' -71.2(2) . . . . ?
B6' C1' B4' B3' 100.6(2) . . . . ?
B6' C1' B4' B5' -39.2(2) . . . . ?
B6' C1' B4' B8' 62.0(2) . . . . ?
B6' C1' B4' B9' -0.3(3) . . . . ?
B6' C1' B5' B4' 141.3(2) . . . . ?
B6' C1' B5' B9' 101.8(2) . . . . ?
B6' C1' B5' B10' 38.76(19) . . . . ?
B6' C2' B3' Ru1 -144.96(19) . . . . ?
B6' C2' B3' C1' -32.15(18) . . . . ?
B6' C2' B3' B4' 0.6(3) . . . . ?
B6' C2' B3' B7' 102.5(2) . . . . ?
B6' C2' B3' B8' 65.0(2) . . . . ?
B6' C2' B7' B3' -105.3(2) . . . . ?
B6' C2' B7' B8' -68.6(2) . . . . ?
B6' C2' B7' B11' 36.66(19) . . . . ?
B6' C2' B7' B12' -4.2(2) . . . . ?
B6' C2' B11' B7' -140.6(2) . . . . ?
B6' C2' B11' B10' -39.50(19) . . . . ?
B6' C2' B11' B12' -101.4(2) . . . . ?
B6' B5' B9' B4' 100.1(2) . . . . ?
B6' B5' B9' B8' 62.5(2) . . . . ?
B6' B5' B9' B10' -37.55(18) . . . . ?
B6' B5' B9' B12' -1.6(3) . . . . ?
B6' B5' B10' B9' 137.5(2) . . . . ?
B6' B5' B10' B11' 37.42(19) . . . . ?
B6' B5' B10' B12' 101.5(2) . . . . ?
B6' B10' B11' C2' 39.46(18) . . . . ?
B6' B10' B11' B7' 102.9(2) . . . . ?
B6' B10' B11' B12' 138.7(2) . . . . ?
B6' B10' B12' B7' -0.6(3) . . . . ?
B6' B10' B12' B8' 62.5(2) . . . . ?
B6' B10' B12' B9' 100.3(2) . . . . ?
B6' B10' B12' B11' -36.90(19) . . . . ?
B6' B11' B12' B7' -102.5(2) . . . . ?
B6' B11' B12' B8' -65.4(2) . . . . ?
B6' B11' B12' B9' -1.9(3) . . . . ?
B6' B11' B12' B10' 36.66(19) . . . . ?
B7' C2' B3' Ru1 112.57(14) . . . . ?
B7' C2' B3' C1' -134.61(18) . . . . ?
B7' C2' B3' B4' -101.8(2) . . . . ?
B7' C2' B3' B8' -37.41(19) . . . . ?
B7' C2' B6' C1' 100.66(19) . . . . ?
B7' C2' B6' B5' 66.1(2) . . . . ?
B7' C2' B6' B10' 3.8(2) . . . . ?
B7' C2' B6' B11' -36.25(19) . . . . ?
B7' C2' B11' B6' 140.6(2) . . . . ?
B7' C2' B11' B10' 101.1(2) . . . . ?
B7' C2' B11' B12' 39.19(18) . . . . ?
B7' B3' B4' C1' -99.4(2) . . . . ?
B7' B3' B4' B5' -65.3(2) . . . . ?
B7' B3' B4' B8' 36.19(19) . . . . ?
B7' B3' B4' B9' -3.4(3) . . . . ?
B7' B3' B8' B4' -139.7(2) . . . . ?
B7' B3' B8' B9' -100.4(2) . . . . ?
B7' B3' B8' B12' -38.27(19) . . . . ?
B7' B8' B9' B4' -102.6(2) . . . . ?
B7' B8' B9' B5' -64.6(2) . . . . ?
B7' B8' B9' B10' -1.1(3) . . . . ?
B7' B8' B9' B12' 36.21(19) . . . . ?
B7' B8' B12' B9' -138.6(2) . . . . ?
B7' B8' B12' B10' -100.5(2) . . . . ?
B7' B8' B12' B11' -37.04(19) . . . . ?
B7' B11' B12' B8' 37.10(19) . . . . ?
B7' B11' B12' B9' 100.5(2) . . . . ?
B7' B11' B12' B10' 139.1(2) . . . . ?
B8' B3' B4' C1' -135.6(2) . . . . ?
B8' B3' B4' B5' -101.5(2) . . . . ?
B8' B3' B4' B9' -39.59(19) . . . . ?
B8' B3' B7' C2' 138.4(2) . . . . ?
B8' B3' B7' B11' 105.1(2) . . . . ?
B8' B3' B7' B12' 40.2(2) . . . . ?
B8' B4' B5' C1' -97.3(2) . . . . ?
B8' B4' B5' B6' -63.4(2) . . . . ?
B8' B4' B5' B9' 37.33(18) . . . . ?
B8' B4' B5' B10' -0.8(3) . . . . ?
B8' B4' B9' B5' -138.3(2) . . . . ?
B8' B4' B9' B10' -100.4(2) . . . . ?
B8' B4' B9' B12' -37.3(2) . . . . ?
B8' B7' B11' C2' 95.7(2) . . . . ?
B8' B7' B11' B6' 60.2(3) . . . . ?
B8' B7' B11' B10' -3.0(3) . . . . ?
B8' B7' B11' B12' -39.00(19) . . . . ?
B8' B7' B12' B9' 37.1(2) . . . . ?
B8' B7' B12' B10' 101.4(2) . . . . ?
B8' B7' B12' B11' 138.0(2) . . . . ?
B8' B9' B10' B5' -102.0(2) . . . . ?
B8' B9' B10' B6' -63.7(2) . . . . ?
B8' B9' B10' B11' -0.6(3) . . . . ?
B8' B9' B10' B12' 37.73(19) . . . . ?
B8' B9' B12' B7' -36.8(2) . . . . ?
B8' B9' B12' B10' -137.9(2) . . . . ?
B8' B9' B12' B11' -99.6(2) . . . . ?
B9' B4' B5' C1' -134.6(2) . . . . ?
B9' B4' B5' B6' -100.7(2) . . . . ?
B9' B4' B5' B10' -38.18(19) . . . . ?
B9' B4' B8' B3' 135.1(2) . . . . ?
B9' B4' B8' B7' 98.7(2) . . . . ?
B9' B4' B8' B12' 36.51(19) . . . . ?
B9' B5' B6' C1' -97.0(2) . . . . ?
B9' B5' B6' C2' -61.4(2) . . . . ?
B9' B5' B6' B10' 38.23(19) . . . . ?
B9' B5' B6' B11' 0.4(3) . . . . ?
B9' B5' B10' B6' -137.5(2) . . . . ?
B9' B5' B10' B11' -100.1(2) . . . . ?
B9' B5' B10' B12' -35.93(19) . . . . ?
B9' B8' B12' B7' 138.6(2) . . . . ?
B9' B8' B12' B10' 38.10(19) . . . . ?
B9' B8' B12' B11' 101.6(2) . . . . ?
B9' B10' B11' C2' -61.3(2) . . . . ?
B9' B10' B11' B6' -100.7(2) . . . . ?
B9' B10' B11' B7' 2.2(3) . . . . ?
B9' B10' B11' B12' 38.01(19) . . . . ?
B9' B10' B12' B7' -100.9(2) . . . . ?
B9' B10' B12' B8' -37.83(19) . . . . ?
B9' B10' B12' B11' -137.2(2) . . . . ?
B10' B5' B6' C1' -135.2(2) . . . . ?
B10' B5' B6' C2' -99.6(2) . . . . ?
B10' B5' B6' B11' -37.80(19) . . . . ?
B10' B5' B9' B4' 137.7(2) . . . . ?
B10' B5' B9' B8' 100.0(2) . . . . ?
B10' B5' B9' B12' 35.91(19) . . . . ?
B10' B6' B11' C2' -134.8(2) . . . . ?
B10' B6' B11' B7' -98.9(2) . . . . ?
B10' B6' B11' B12' -36.51(19) . . . . ?
B10' B9' B12' B7' 101.1(2) . . . . ?
B10' B9' B12' B8' 137.9(2) . . . . ?
B10' B9' B12' B11' 38.31(19) . . . . ?
B10' B11' B12' B7' -139.1(2) . . . . ?
B10' B11' B12' B8' -102.0(2) . . . . ?
B10' B11' B12' B9' -38.60(19) . . . . ?
B11' C2' B3' Ru1 147.96(19) . . . . ?
B11' C2' B3' C1' -99.2(2) . . . . ?
B11' C2' B3' B4' -66.4(2) . . . . ?
B11' C2' B3' B7' 35.39(19) . . . . ?
B11' C2' B3' B8' -2.0(3) . . . . ?
B11' C2' B6' C1' 136.9(2) . . . . ?
B11' C2' B6' B5' 102.4(2) . . . . ?
B11' C2' B6' B10' 40.01(18) . . . . ?
B11' C2' B7' B3' -141.9(2) . . . . ?
B11' C2' B7' B8' -105.2(2) . . . . ?
B11' C2' B7' B12' -40.82(19) . . . . ?
B11' B6' B10' B5' 138.1(2) . . . . ?
B11' B6' B10' B9' 100.5(2) . . . . ?
B11' B6' B10' B12' 37.27(19) . . . . ?
B11' B7' B8' B3' -96.8(2) . . . . ?
B11' B7' B8' B4' -60.3(3) . . . . ?
B11' B7' B8' B9' 2.5(3) . . . . ?
B11' B7' B8' B12' 39.0(2) . . . . ?
B11' B7' B12' B8' -138.0(2) . . . . ?
B11' B7' B12' B9' -100.9(2) . . . . ?
B11' B7' B12' B10' -36.63(19) . . . . ?
B11' B10' B12' B7' 36.32(19) . . . . ?
B11' B10' B12' B8' 99.4(2) . . . . ?
B11' B10' B12' B9' 137.2(2) . . . . ?
B12' B7' B8' B3' -135.8(2) . . . . ?
B12' B7' B8' B4' -99.4(2) . . . . ?
B12' B7' B8' B9' -36.49(19) . . . . ?
B12' B7' B11' C2' 134.7(2) . . . . ?
B12' B7' B11' B6' 99.2(2) . . . . ?
B12' B7' B11' B10' 36.05(19) . . . . ?
B12' B8' B9' B4' -138.8(2) . . . . ?
B12' B8' B9' B5' -100.8(2) . . . . ?
B12' B8' B9' B10' -37.33(19) . . . . ?
B12' B9' B10' B5' -139.8(2) . . . . ?
B12' B9' B10' B6' -101.4(2) . . . . ?
B12' B9' B10' B11' -38.38(19) . . . . ?
B12' B10' B11' C2' -99.3(2) . . . . ?
B12' B10' B11' B6' -138.7(2) . . . . ?
B12' B10' B11' B7' -35.84(19) . . . . ?
C101 C102 C103 Ru1 53.5(2) . . . . ?
C101 C102 C103 C104 -1.9(4) . . . . ?
C102 C101 C106 Ru1 -53.70(19) . . . . ?
C102 C101 C106 C105 2.3(3) . . . . ?
C102 C101 C108 C109 122.1(3) . . . . ?
C102 C101 C108 C110 -113.9(3) . . . . ?
C102 C103 C104 Ru1 55.8(2) . . . . ?
C102 C103 C104 C105 -1.9(3) . . . . ?
C102 C103 C104 C107 177.9(2) . . . . ?
C103 C104 C105 Ru1 55.96(19) . . . . ?
C103 C104 C105 C106 5.9(3) . . . . ?
C104 C105 C106 Ru1 49.4(2) . . . . ?
C104 C105 C106 C101 -6.1(3) . . . . ?
C106 C101 C102 Ru1 53.68(19) . . . . ?
C106 C101 C102 C103 1.8(3) . . . . ?
C106 C101 C108 C109 -59.1(3) . . . . ?
C106 C101 C108 C110 64.9(3) . . . . ?
C107 C104 C105 Ru1 -123.9(2) . . . . ?
C107 C104 C105 C106 -174.0(2) . . . . ?
C108 C101 C102 Ru1 -127.5(2) . . . . ?
C108 C101 C102 C103 -179.4(2) . . . . ?
C108 C101 C106 Ru1 127.4(2) . . . . ?
C108 C101 C106 C105 -176.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5037
_database_code_depnum_ccdc_archive 'CCDC 1418091'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-06-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H34 B20 O Ru'
_chemical_formula_sum            'C15 H34 B20 O Ru'
_chemical_formula_weight         547.69
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   17.7285(10)
_cell_length_b                   15.1002(8)
_cell_length_c                   9.8309(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2631.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9846
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      36.00
_cell_measurement_theta_min      2.664
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.719
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0564 before and 0.0511 after correction.
The Ratio of minimum to maximum transmission is 0.9125.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            70842
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         36.127
_diffrn_reflns_theta_min         2.726
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.865
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.927
_reflns_number_gt                10594
_reflns_number_total             11988
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.520
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 
;
 Flack x determined using 4441 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.032(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         11988
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0278P)²+0.0858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0535
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C103(H103), C104(H104), C106(H106), C107(H107), C109(H109)
2.b Idealised Me refined as rotating group:
 C108(H10A,H10B,H10C), C110(H11A,H11B,H11C), C111(H11D,H11E,H11F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.26173(2) 0.14675(2) 0.14470(2) 0.00946(3) Uani 1 1 d . . . . .
C1 C 0.28764(10) 0.05218(11) -0.14400(15) 0.0115(3) Uani 1 1 d . . . . .
C2 C 0.33126(10) 0.08100(11) 0.00202(16) 0.0113(3) Uani 1 1 d . . . . .
B3 B 0.30955(11) -0.02947(13) -0.02582(17) 0.0118(3) Uani 1 1 d . . . . .
H3 H 0.2660(12) -0.0655(16) 0.037(3) 0.014 Uiso 1 1 d R . . . .
B4 B 0.31928(11) -0.04859(13) -0.20392(18) 0.0137(3) Uani 1 1 d . . . . .
H4 H 0.2787(13) -0.0883(15) -0.252(2) 0.016 Uiso 1 1 d R . . . .
B5 B 0.34854(12) 0.05209(14) -0.28122(18) 0.0152(3) Uani 1 1 d . . . . .
H5 H 0.3246(12) 0.0705(14) -0.376(2) 0.018 Uiso 1 1 d R . . . .
B6 B 0.35684(12) 0.13307(13) -0.14985(18) 0.0130(3) Uani 1 1 d . . . . .
H6 H 0.3422(13) 0.1929(15) -0.160(2) 0.016 Uiso 1 1 d R . . . .
B7 B 0.39754(11) -0.00022(13) 0.04209(19) 0.0135(3) Uani 1 1 d . . . . .
H7 H 0.4058(11) -0.0144(12) 0.145(3) 0.016 Uiso 1 1 d R . . . .
B8 B 0.39097(12) -0.08218(13) -0.08760(19) 0.0152(3) Uani 1 1 d . . . . .
H8 H 0.3995(15) -0.1539(14) -0.069(2) 0.018 Uiso 1 1 d R . . . .
B9 B 0.41569(12) -0.03229(14) -0.2453(2) 0.0166(3) Uani 1 1 d . . . . .
H9 H 0.4402(12) -0.0685(15) -0.321(2) 0.020 Uiso 1 1 d R . . . .
B10 B 0.43822(12) 0.08152(14) -0.2127(2) 0.0164(4) Uani 1 1 d . . . . .
H10 H 0.4771(14) 0.1184(16) -0.272(2) 0.020 Uiso 1 1 d R . . . .
B11 B 0.42616(11) 0.10038(13) -0.03355(19) 0.0136(3) Uani 1 1 d . . . . .
H11 H 0.4535(15) 0.1493(13) 0.030(2) 0.016 Uiso 1 1 d R . . . .
B12 B 0.46429(12) -0.00197(14) -0.0931(2) 0.0164(3) Uani 1 1 d . . . . .
H12 H 0.5239(13) -0.0181(15) -0.069(2) 0.020 Uiso 1 1 d R . . . .
C1' C 0.20583(9) 0.08316(11) -0.15158(15) 0.0116(3) Uani 1 1 d . . . . .
C2' C 0.17706(13) 0.13659(13) -0.0088(2) 0.0119(4) Uani 1 1 d . . . . .
B3' B 0.18947(12) 0.19626(13) -0.15898(18) 0.0148(3) Uani 1 1 d . . . . .
H3' H 0.2368(13) 0.2431(17) -0.167(3) 0.018 Uiso 1 1 d R . . . .
B4' B 0.16420(13) 0.12604(15) -0.29543(19) 0.0171(4) Uani 1 1 d . . . . .
H4' H 0.1899(14) 0.1291(14) -0.375(3) 0.020 Uiso 1 1 d R . . . .
B5' B 0.13438(12) 0.02311(14) -0.22578(19) 0.0160(3) Uani 1 1 d . . . . .
H5' H 0.1465(13) -0.0410(15) -0.278(2) 0.019 Uiso 1 1 d R . . . .
B6' B 0.14263(11) 0.03112(13) -0.04560(19) 0.0136(3) Uani 1 1 d . . . . .
H6' H 0.1562(15) -0.0201(15) 0.017(2) 0.016 Uiso 1 1 d R . . . .
B9' B 0.06582(13) 0.10237(15) -0.2779(2) 0.0200(4) Uani 1 1 d . . . . .
H9' H 0.0310(12) 0.0894(14) -0.362(3) 0.024 Uiso 1 1 d R . . . .
B8' B 0.10124(13) 0.20936(15) -0.2363(2) 0.0202(4) Uani 1 1 d . . . . .
H8' H 0.0931(14) 0.2717(16) -0.299(2) 0.024 Uiso 1 1 d R . . . .
B7' B 0.11074(12) 0.21614(14) -0.0551(2) 0.0167(4) Uani 1 1 d . . . . .
H7' H 0.1111(13) 0.2734(15) 0.002(2) 0.020 Uiso 1 1 d R . . . .
B11' B 0.08105(12) 0.11415(14) 0.0140(2) 0.0164(4) Uani 1 1 d . . . . .
H11' H 0.0592(13) 0.1084(15) 0.109(2) 0.020 Uiso 1 1 d R . . . .
B10' B 0.05370(12) 0.04286(14) -0.1225(2) 0.0177(4) Uani 1 1 d . . . . .
H10' H 0.0113(15) -0.0091(16) -0.112(3) 0.021 Uiso 1 1 d R . . . .
B12' B 0.03262(13) 0.15846(15) -0.1296(2) 0.0202(4) Uani 1 1 d . . . . .
H12' H -0.0215(15) 0.1847(16) -0.123(2) 0.024 Uiso 1 1 d R . . . .
O101 O 0.30711(9) 0.32555(9) 0.04081(14) 0.0227(3) Uani 1 1 d . . . . .
C101 C 0.28897(11) 0.25638(12) 0.07354(16) 0.0148(3) Uani 1 1 d . . . . .
C102 C 0.30936(10) 0.19472(11) 0.34979(15) 0.0136(3) Uani 1 1 d . . . . .
C103 C 0.33553(10) 0.10791(12) 0.32380(17) 0.0138(3) Uani 1 1 d . . . . .
H103 H 0.3906 0.0969 0.3098 0.017 Uiso 1 1 calc R . . . .
C104 C 0.28292(11) 0.03697(11) 0.30897(16) 0.0139(3) Uani 1 1 d . . . . .
H104 H 0.3023 -0.0219 0.2780 0.017 Uiso 1 1 calc R . . . .
C105 C 0.20495(10) 0.05073(12) 0.30979(16) 0.0145(3) Uani 1 1 d . . . . .
C106 C 0.17894(14) 0.14031(13) 0.3230(2) 0.0152(4) Uani 1 1 d . . . . .
H106 H 0.1245 0.1541 0.3075 0.018 Uiso 1 1 calc R . . . .
C107 C 0.22990(10) 0.20948(12) 0.34819(16) 0.0148(3) Uani 1 1 d . . . . .
H107 H 0.2107 0.2718 0.3492 0.018 Uiso 1 1 calc R . . . .
C108 C 0.15062(11) -0.02548(13) 0.30430(18) 0.0190(3) Uani 1 1 d . . . . .
H10A H 0.1078 -0.0098 0.2460 0.029 Uiso 1 1 calc GR . . . .
H10B H 0.1324 -0.0386 0.3962 0.029 Uiso 1 1 calc GR . . . .
H10C H 0.1762 -0.0777 0.2671 0.029 Uiso 1 1 calc GR . . . .
C109 C 0.36224(11) 0.27102(12) 0.38157(17) 0.0164(3) Uani 1 1 d . . . . .
H109 H 0.3374 0.3269 0.3506 0.020 Uiso 1 1 calc R . . . .
C110 C 0.43908(12) 0.26546(14) 0.3127(2) 0.0264(4) Uani 1 1 d . . . . .
H11A H 0.4323 0.2613 0.2140 0.040 Uiso 1 1 calc GR . . . .
H11B H 0.4660 0.2129 0.3455 0.040 Uiso 1 1 calc GR . . . .
H11C H 0.4684 0.3186 0.3344 0.040 Uiso 1 1 calc GR . . . .
C111 C 0.37062(14) 0.27579(14) 0.53776(19) 0.0251(4) Uani 1 1 d . . . . .
H11D H 0.3964 0.2225 0.5705 0.038 Uiso 1 1 calc GR . . . .
H11E H 0.3206 0.2797 0.5796 0.038 Uiso 1 1 calc GR . . . .
H11F H 0.4002 0.3283 0.5622 0.038 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 2.1148(16) . ?
Ru1 C2' 2.134(2) . ?
Ru1 C101 1.8608(18) . ?
Ru1 C102 2.3027(16) . ?
Ru1 C103 2.2706(17) . ?
Ru1 C104 2.3445(16) . ?
Ru1 C105 2.3979(16) . ?
Ru1 C106 2.289(2) . ?
Ru1 C107 2.2842(16) . ?
C1 C2 1.688(2) . ?
C1 B3 1.738(2) . ?
C1 B4 1.725(2) . ?
C1 B5 1.728(2) . ?
C1 B6 1.732(3) . ?
C1 C1' 1.526(2) . ?
C2 B3 1.734(3) . ?
C2 B6 1.747(2) . ?
C2 B7 1.744(3) . ?
C2 B11 1.743(3) . ?
B3 H3 1.13(2) . ?
B3 B4 1.783(2) . ?
B3 B7 1.753(3) . ?
B3 B8 1.757(3) . ?
B4 H4 1.05(2) . ?
B4 B5 1.777(3) . ?
B4 B8 1.783(3) . ?
B4 B9 1.774(3) . ?
B5 H5 1.06(2) . ?
B5 B6 1.785(3) . ?
B5 B9 1.779(3) . ?
B5 B10 1.783(3) . ?
B6 H6 0.95(2) . ?
B6 B10 1.752(3) . ?
B6 B11 1.750(3) . ?
B7 H7 1.04(3) . ?
B7 B8 1.781(3) . ?
B7 B11 1.766(3) . ?
B7 B12 1.780(3) . ?
B8 H8 1.11(2) . ?
B8 B9 1.779(3) . ?
B8 B12 1.778(3) . ?
B9 H9 1.02(2) . ?
B9 B10 1.793(3) . ?
B9 B12 1.786(3) . ?
B10 H10 1.06(2) . ?
B10 B11 1.796(3) . ?
B10 B12 1.784(3) . ?
B11 H11 1.08(2) . ?
B11 B12 1.786(3) . ?
B12 H12 1.11(2) . ?
C1' C2' 1.698(2) . ?
C1' B3' 1.734(3) . ?
C1' B4' 1.722(2) . ?
C1' B5' 1.720(3) . ?
C1' B6' 1.720(2) . ?
C2' B3' 1.744(3) . ?
C2' B6' 1.744(3) . ?
C2' B7' 1.741(3) . ?
C2' B11' 1.750(3) . ?
B3' H3' 1.10(2) . ?
B3' B4' 1.768(3) . ?
B3' B8' 1.750(3) . ?
B3' B7' 1.755(3) . ?
B4' H4' 0.91(3) . ?
B4' B5' 1.779(3) . ?
B4' B9' 1.789(3) . ?
B4' B8' 1.779(3) . ?
B5' H5' 1.12(2) . ?
B5' B6' 1.782(3) . ?
B5' B9' 1.781(3) . ?
B5' B10' 1.779(3) . ?
B6' H6' 1.02(2) . ?
B6' B11' 1.763(3) . ?
B6' B10' 1.757(3) . ?
B9' H9' 1.05(3) . ?
B9' B8' 1.781(3) . ?
B9' B10' 1.786(3) . ?
B9' B12' 1.786(3) . ?
B8' H8' 1.13(2) . ?
B8' B7' 1.792(3) . ?
B8' B12' 1.781(3) . ?
B7' H7' 1.03(2) . ?
B7' B11' 1.763(3) . ?
B7' B12' 1.792(3) . ?
B11' H11' 1.01(2) . ?
B11' B10' 1.787(3) . ?
B11' B12' 1.782(3) . ?
B10' H10' 1.09(3) . ?
B10' B12' 1.787(3) . ?
B12' H12' 1.04(3) . ?
O101 C101 1.139(2) . ?
C102 C103 1.414(3) . ?
C102 C107 1.426(3) . ?
C102 C109 1.518(2) . ?
C103 H103 1.0000 . ?
C103 C104 1.428(3) . ?
C104 H104 1.0000 . ?
C104 C105 1.398(3) . ?
C105 C106 1.435(3) . ?
C105 C108 1.502(3) . ?
C106 H106 1.0000 . ?
C106 C107 1.403(3) . ?
C107 H107 1.0000 . ?
C108 H10A 0.9800 . ?
C108 H10B 0.9800 . ?
C108 H10C 0.9800 . ?
C109 H109 1.0000 . ?
C109 C110 1.523(3) . ?
C109 C111 1.544(2) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 C2' 84.69(7) . . ?
C2 Ru1 C102 120.97(6) . . ?
C2 Ru1 C103 93.28(7) . . ?
C2 Ru1 C104 91.81(6) . . ?
C2 Ru1 C105 114.19(6) . . ?
C2 Ru1 C106 149.53(7) . . ?
C2 Ru1 C107 156.86(6) . . ?
C2' Ru1 C102 154.11(7) . . ?
C2' Ru1 C103 159.23(7) . . ?
C2' Ru1 C104 123.29(7) . . ?
C2' Ru1 C105 98.03(7) . . ?
C2' Ru1 C106 95.01(7) . . ?
C2' Ru1 C107 118.37(7) . . ?
C101 Ru1 C2 90.97(7) . . ?
C101 Ru1 C2' 88.90(8) . . ?
C101 Ru1 C102 87.38(6) . . ?
C101 Ru1 C103 111.83(7) . . ?
C101 Ru1 C104 147.81(7) . . ?
C101 Ru1 C105 154.33(6) . . ?
C101 Ru1 C106 119.49(7) . . ?
C101 Ru1 C107 91.40(7) . . ?
C102 Ru1 C104 63.93(6) . . ?
C102 Ru1 C105 75.61(6) . . ?
C103 Ru1 C102 36.01(6) . . ?
C103 Ru1 C104 35.99(6) . . ?
C103 Ru1 C105 63.95(6) . . ?
C103 Ru1 C106 76.38(8) . . ?
C103 Ru1 C107 64.56(6) . . ?
C104 Ru1 C105 34.26(6) . . ?
C106 Ru1 C102 65.03(7) . . ?
C106 Ru1 C104 62.94(7) . . ?
C106 Ru1 C105 35.56(6) . . ?
C107 Ru1 C102 36.23(6) . . ?
C107 Ru1 C104 74.31(6) . . ?
C107 Ru1 C105 63.53(6) . . ?
C107 Ru1 C106 35.73(7) . . ?
C2 C1 B3 60.79(10) . . ?
C2 C1 B4 111.65(12) . . ?
C2 C1 B5 112.21(13) . . ?
C2 C1 B6 61.44(10) . . ?
B4 C1 B3 61.96(10) . . ?
B4 C1 B5 61.94(11) . . ?
B4 C1 B6 112.36(13) . . ?
B5 C1 B3 112.44(13) . . ?
B5 C1 B6 62.10(11) . . ?
B6 C1 B3 111.36(13) . . ?
C1' C1 C2 113.46(12) . . ?
C1' C1 B3 117.55(13) . . ?
C1' C1 B4 124.24(14) . . ?
C1' C1 B5 123.79(12) . . ?
C1' C1 B6 117.09(13) . . ?
C1 C2 Ru1 114.72(10) . . ?
C1 C2 B3 61.04(10) . . ?
C1 C2 B6 60.54(10) . . ?
C1 C2 B7 108.64(12) . . ?
C1 C2 B11 108.35(12) . . ?
B3 C2 Ru1 115.28(10) . . ?
B3 C2 B6 110.84(12) . . ?
B3 C2 B7 60.56(11) . . ?
B3 C2 B11 110.13(13) . . ?
B6 C2 Ru1 120.45(11) . . ?
B7 C2 Ru1 124.97(10) . . ?
B7 C2 B6 109.55(13) . . ?
B11 C2 Ru1 128.08(11) . . ?
B11 C2 B6 60.17(11) . . ?
B11 C2 B7 60.86(11) . . ?
C1 B3 H3 123.7(12) . . ?
C1 B3 B4 58.67(10) . . ?
C1 B3 B7 105.93(13) . . ?
C1 B3 B8 105.89(12) . . ?
C2 B3 C1 58.17(10) . . ?
C2 B3 H3 122.0(13) . . ?
C2 B3 B4 106.82(12) . . ?
C2 B3 B7 59.99(11) . . ?
C2 B3 B8 107.94(13) . . ?
B4 B3 H3 121.6(13) . . ?
B7 B3 H3 121.5(12) . . ?
B7 B3 B4 109.19(13) . . ?
B7 B3 B8 60.97(11) . . ?
B8 B3 H3 122.2(12) . . ?
B8 B3 B4 60.50(11) . . ?
C1 B4 B3 59.37(10) . . ?
C1 B4 H4 115.8(13) . . ?
C1 B4 B5 59.09(10) . . ?
C1 B4 B8 105.28(13) . . ?
C1 B4 B9 105.61(13) . . ?
B3 B4 H4 118.0(13) . . ?
B3 B4 B8 59.02(10) . . ?
B5 B4 B3 108.04(13) . . ?
B5 B4 H4 119.7(13) . . ?
B5 B4 B8 108.03(14) . . ?
B8 B4 H4 128.0(13) . . ?
B9 B4 B3 107.22(14) . . ?
B9 B4 H4 129.5(13) . . ?
B9 B4 B5 60.13(12) . . ?
B9 B4 B8 60.00(11) . . ?
C1 B5 B4 58.97(10) . . ?
C1 B5 H5 115.9(12) . . ?
C1 B5 B6 59.07(10) . . ?
C1 B5 B9 105.30(13) . . ?
C1 B5 B10 105.18(13) . . ?
B4 B5 H5 118.9(12) . . ?
B4 B5 B6 107.51(12) . . ?
B4 B5 B9 59.86(11) . . ?
B4 B5 B10 108.17(14) . . ?
B6 B5 H5 119.3(12) . . ?
B9 B5 H5 129.0(12) . . ?
B9 B5 B6 106.98(14) . . ?
B9 B5 B10 60.45(12) . . ?
B10 B5 H5 128.6(12) . . ?
B10 B5 B6 58.81(11) . . ?
C1 B6 C2 58.03(10) . . ?
C1 B6 B5 58.83(10) . . ?
C1 B6 H6 118.9(14) . . ?
C1 B6 B10 106.36(13) . . ?
C1 B6 B11 106.07(13) . . ?
C2 B6 B5 106.77(13) . . ?
C2 B6 H6 116.9(13) . . ?
C2 B6 B10 108.36(14) . . ?
C2 B6 B11 59.80(10) . . ?
B5 B6 H6 123.5(13) . . ?
B10 B6 B5 60.55(11) . . ?
B10 B6 H6 127.7(14) . . ?
B11 B6 B5 109.72(14) . . ?
B11 B6 H6 122.3(14) . . ?
B11 B6 B10 61.74(11) . . ?
C2 B7 B3 59.45(10) . . ?
C2 B7 H7 117.2(11) . . ?
C2 B7 B8 106.44(13) . . ?
C2 B7 B11 59.56(11) . . ?
C2 B7 B12 106.85(13) . . ?
B3 B7 H7 116.2(11) . . ?
B3 B7 B8 59.61(11) . . ?
B3 B7 B11 108.18(13) . . ?
B3 B7 B12 107.66(13) . . ?
B8 B7 H7 124.1(11) . . ?
B11 B7 H7 123.0(11) . . ?
B11 B7 B8 108.37(13) . . ?
B11 B7 B12 60.48(11) . . ?
B12 B7 H7 128.8(11) . . ?
B12 B7 B8 59.90(11) . . ?
B3 B8 B4 60.48(10) . . ?
B3 B8 B7 59.42(11) . . ?
B3 B8 H8 119.9(14) . . ?
B3 B8 B9 108.18(13) . . ?
B3 B8 B12 107.62(14) . . ?
B4 B8 H8 118.7(13) . . ?
B7 B8 B4 107.94(13) . . ?
B7 B8 H8 123.6(12) . . ?
B9 B8 B4 59.75(11) . . ?
B9 B8 B7 108.28(14) . . ?
B9 B8 H8 121.5(13) . . ?
B12 B8 B4 107.93(14) . . ?
B12 B8 B7 60.03(11) . . ?
B12 B8 H8 124.8(14) . . ?
B12 B8 B9 60.30(12) . . ?
B4 B9 B5 60.01(11) . . ?
B4 B9 B8 60.25(11) . . ?
B4 B9 H9 120.2(12) . . ?
B4 B9 B10 107.85(14) . . ?
B4 B9 B12 107.94(13) . . ?
B5 B9 H9 121.4(12) . . ?
B5 B9 B10 59.89(12) . . ?
B5 B9 B12 107.78(14) . . ?
B8 B9 B5 108.14(13) . . ?
B8 B9 H9 121.1(12) . . ?
B8 B9 B10 107.74(13) . . ?
B8 B9 B12 59.82(11) . . ?
B10 B9 H9 123.2(12) . . ?
B12 B9 H9 123.0(12) . . ?
B12 B9 B10 59.80(11) . . ?
B5 B10 B9 59.66(12) . . ?
B5 B10 H10 120.1(13) . . ?
B5 B10 B11 107.69(13) . . ?
B5 B10 B12 107.68(14) . . ?
B6 B10 B5 60.64(11) . . ?
B6 B10 B9 107.79(14) . . ?
B6 B10 H10 119.7(13) . . ?
B6 B10 B11 59.07(11) . . ?
B6 B10 B12 107.16(13) . . ?
B9 B10 H10 123.3(13) . . ?
B9 B10 B11 107.51(14) . . ?
B11 B10 H10 122.3(13) . . ?
B12 B10 B9 59.90(11) . . ?
B12 B10 H10 124.4(14) . . ?
B12 B10 B11 59.82(11) . . ?
C2 B11 B6 60.04(10) . . ?
C2 B11 B7 59.58(10) . . ?
C2 B11 B10 106.56(13) . . ?
C2 B11 H11 115.6(14) . . ?
C2 B11 B12 106.61(13) . . ?
B6 B11 B7 108.43(14) . . ?
B6 B11 B10 59.19(11) . . ?
B6 B11 H11 119.9(12) . . ?
B6 B11 B12 107.20(14) . . ?
B7 B11 B10 108.09(14) . . ?
B7 B11 H11 118.3(12) . . ?
B7 B11 B12 60.15(11) . . ?
B10 B11 H11 128.3(13) . . ?
B12 B11 B10 59.75(11) . . ?
B12 B11 H11 127.6(13) . . ?
B7 B12 B9 107.98(14) . . ?
B7 B12 B10 108.01(14) . . ?
B7 B12 B11 59.37(11) . . ?
B7 B12 H12 118.6(12) . . ?
B8 B12 B7 60.08(11) . . ?
B8 B12 B9 59.88(11) . . ?
B8 B12 B10 108.19(15) . . ?
B8 B12 B11 107.63(14) . . ?
B8 B12 H12 122.7(12) . . ?
B9 B12 H12 125.4(12) . . ?
B10 B12 B9 60.29(12) . . ?
B10 B12 B11 60.42(11) . . ?
B10 B12 H12 122.8(13) . . ?
B11 B12 B9 108.30(15) . . ?
B11 B12 H12 118.8(12) . . ?
C1 C1' C2' 113.01(13) . . ?
C1 C1' B3' 117.59(14) . . ?
C1 C1' B4' 124.26(13) . . ?
C1 C1' B5' 123.99(14) . . ?
C1 C1' B6' 116.72(13) . . ?
C2' C1' B3' 61.08(11) . . ?
C2' C1' B4' 111.82(13) . . ?
C2' C1' B5' 112.33(14) . . ?
C2' C1' B6' 61.34(11) . . ?
B4' C1' B3' 61.53(11) . . ?
B5' C1' B3' 112.22(13) . . ?
B5' C1' B4' 62.23(12) . . ?
B5' C1' B6' 62.38(11) . . ?
B6' C1' B3' 111.49(13) . . ?
B6' C1' B4' 112.96(14) . . ?
C1' C2' Ru1 114.04(13) . . ?
C1' C2' B3' 60.48(11) . . ?
C1' C2' B6' 59.96(11) . . ?
C1' C2' B7' 108.33(14) . . ?
C1' C2' B11' 107.82(15) . . ?
B3' C2' Ru1 118.22(14) . . ?
B3' C2' B6' 109.89(14) . . ?
B3' C2' B11' 109.33(15) . . ?
B6' C2' Ru1 117.31(12) . . ?
B6' C2' B11' 60.61(12) . . ?
B7' C2' Ru1 127.61(12) . . ?
B7' C2' B3' 60.49(12) . . ?
B7' C2' B6' 109.84(16) . . ?
B7' C2' B11' 60.68(13) . . ?
B11' C2' Ru1 127.44(13) . . ?
C1' B3' C2' 58.44(10) . . ?
C1' B3' H3' 120.6(13) . . ?
C1' B3' B4' 58.89(11) . . ?
C1' B3' B8' 106.20(15) . . ?
C1' B3' B7' 106.08(14) . . ?
C2' B3' H3' 119.1(13) . . ?
C2' B3' B4' 107.50(14) . . ?
C2' B3' B8' 108.26(15) . . ?
C2' B3' B7' 59.68(12) . . ?
B4' B3' H3' 121.9(13) . . ?
B8' B3' H3' 125.4(13) . . ?
B8' B3' B4' 60.77(12) . . ?
B8' B3' B7' 61.50(12) . . ?
B7' B3' H3' 122.4(13) . . ?
B7' B3' B4' 110.04(15) . . ?
C1' B4' B3' 59.57(10) . . ?
C1' B4' H4' 120.9(15) . . ?
C1' B4' B5' 58.85(11) . . ?
C1' B4' B9' 105.31(14) . . ?
C1' B4' B8' 105.45(13) . . ?
B3' B4' H4' 119.8(14) . . ?
B3' B4' B5' 107.90(13) . . ?
B3' B4' B9' 107.10(15) . . ?
B3' B4' B8' 59.13(12) . . ?
B5' B4' H4' 121.8(14) . . ?
B5' B4' B9' 59.91(12) . . ?
B5' B4' B8' 107.80(15) . . ?
B9' B4' H4' 125.7(15) . . ?
B8' B4' H4' 124.1(14) . . ?
B8' B4' B9' 59.89(13) . . ?
C1' B5' B4' 58.92(11) . . ?
C1' B5' H5' 120.7(12) . . ?
C1' B5' B6' 58.81(10) . . ?
C1' B5' B9' 105.69(14) . . ?
C1' B5' B10' 105.17(13) . . ?
B4' B5' H5' 121.7(11) . . ?
B4' B5' B6' 107.40(14) . . ?
B4' B5' B9' 60.32(12) . . ?
B4' B5' B10' 108.19(15) . . ?
B6' B5' H5' 119.9(11) . . ?
B6' B5' B9' 107.25(14) . . ?
B9' B5' H5' 125.6(12) . . ?
B10' B5' H5' 124.2(12) . . ?
B10' B5' B6' 59.15(11) . . ?
B10' B5' B9' 60.21(12) . . ?
C1' B6' C2' 58.70(11) . . ?
C1' B6' B5' 58.82(10) . . ?
C1' B6' H6' 123.9(14) . . ?
C1' B6' B11' 106.25(14) . . ?
C1' B6' B10' 106.13(13) . . ?
C2' B6' B5' 107.30(14) . . ?
C2' B6' H6' 119.2(13) . . ?
C2' B6' B11' 59.87(12) . . ?
C2' B6' B10' 108.14(15) . . ?
B5' B6' H6' 124.6(12) . . ?
B11' B6' B5' 109.14(14) . . ?
B11' B6' H6' 119.2(13) . . ?
B10' B6' B5' 60.36(11) . . ?
B10' B6' H6' 123.3(14) . . ?
B10' B6' B11' 61.03(12) . . ?
B4' B9' H9' 122.3(13) . . ?
B5' B9' B4' 59.77(12) . . ?
B5' B9' H9' 120.2(12) . . ?
B5' B9' B10' 59.84(12) . . ?
B5' B9' B12' 107.96(14) . . ?
B8' B9' B4' 59.80(13) . . ?
B8' B9' B5' 107.62(15) . . ?
B8' B9' H9' 123.9(12) . . ?
B8' B9' B10' 107.59(14) . . ?
B8' B9' B12' 59.89(13) . . ?
B10' B9' B4' 107.46(14) . . ?
B10' B9' H9' 120.6(12) . . ?
B12' B9' B4' 107.76(15) . . ?
B12' B9' H9' 122.5(12) . . ?
B12' B9' B10' 60.02(12) . . ?
B3' B8' B4' 60.10(12) . . ?
B3' B8' B9' 108.21(15) . . ?
B3' B8' H8' 116.3(13) . . ?
B3' B8' B7' 59.40(11) . . ?
B3' B8' B12' 107.81(14) . . ?
B4' B8' H8' 119.3(12) . . ?
B4' B8' B7' 107.83(14) . . ?
B9' B8' B4' 60.31(13) . . ?
B9' B8' H8' 125.6(12) . . ?
B9' B8' B7' 108.27(15) . . ?
B7' B8' H8' 120.3(12) . . ?
B12' B8' B4' 108.41(16) . . ?
B12' B8' B9' 60.21(13) . . ?
B12' B8' H8' 126.2(13) . . ?
B12' B8' B7' 60.22(12) . . ?
C2' B7' B3' 59.83(11) . . ?
C2' B7' B8' 106.49(14) . . ?
C2' B7' H7' 115.7(13) . . ?
C2' B7' B11' 59.90(12) . . ?
C2' B7' B12' 107.06(15) . . ?
B3' B7' B8' 59.10(11) . . ?
B3' B7' H7' 117.1(13) . . ?
B3' B7' B11' 108.19(14) . . ?
B3' B7' B12' 107.07(14) . . ?
B8' B7' H7' 126.1(12) . . ?
B11' B7' B8' 107.74(15) . . ?
B11' B7' H7' 121.7(12) . . ?
B11' B7' B12' 60.15(12) . . ?
B12' B7' B8' 59.57(12) . . ?
B12' B7' H7' 129.4(13) . . ?
C2' B11' B6' 59.52(11) . . ?
C2' B11' B7' 59.42(11) . . ?
C2' B11' H11' 120.3(13) . . ?
C2' B11' B10' 106.53(14) . . ?
C2' B11' B12' 107.14(15) . . ?
B6' B11' B7' 107.96(14) . . ?
B6' B11' H11' 118.8(13) . . ?
B6' B11' B10' 59.34(11) . . ?
B6' B11' B12' 107.59(14) . . ?
B7' B11' H11' 122.9(13) . . ?
B7' B11' B10' 108.54(14) . . ?
B7' B11' B12' 60.73(12) . . ?
B10' B11' H11' 122.4(13) . . ?
B12' B11' H11' 125.3(13) . . ?
B12' B11' B10' 60.07(12) . . ?
B5' B10' B9' 59.95(12) . . ?
B5' B10' B11' 108.14(14) . . ?
B5' B10' H10' 119.2(12) . . ?
B5' B10' B12' 108.04(16) . . ?
B6' B10' B5' 60.49(11) . . ?
B6' B10' B9' 108.12(15) . . ?
B6' B10' B11' 59.63(11) . . ?
B6' B10' H10' 120.3(14) . . ?
B6' B10' B12' 107.63(15) . . ?
B9' B10' B11' 107.86(15) . . ?
B9' B10' H10' 121.7(14) . . ?
B9' B10' B12' 60.01(12) . . ?
B11' B10' H10' 123.3(13) . . ?
B12' B10' B11' 59.82(12) . . ?
B12' B10' H10' 124.2(12) . . ?
B9' B12' B7' 108.02(16) . . ?
B9' B12' B10' 59.97(12) . . ?
B9' B12' H12' 122.3(14) . . ?
B8' B12' B9' 59.90(13) . . ?
B8' B12' B7' 60.21(12) . . ?
B8' B12' B11' 107.43(15) . . ?
B8' B12' B10' 107.56(15) . . ?
B8' B12' H12' 120.1(14) . . ?
B7' B12' H12' 120.2(14) . . ?
B11' B12' B9' 108.05(14) . . ?
B11' B12' B7' 59.12(12) . . ?
B11' B12' B10' 60.11(12) . . ?
B11' B12' H12' 122.7(14) . . ?
B10' B12' B7' 107.29(14) . . ?
B10' B12' H12' 124.3(14) . . ?
O101 C101 Ru1 174.26(15) . . ?
C103 C102 Ru1 70.76(9) . . ?
C103 C102 C107 117.83(16) . . ?
C103 C102 C109 122.57(16) . . ?
C107 C102 Ru1 71.18(9) . . ?
C107 C102 C109 119.58(15) . . ?
C109 C102 Ru1 130.20(11) . . ?
Ru1 C103 H103 119.9 . . ?
C102 C103 Ru1 73.23(9) . . ?
C102 C103 H103 119.9 . . ?
C102 C103 C104 119.99(17) . . ?
C104 C103 Ru1 74.83(10) . . ?
C104 C103 H103 119.9 . . ?
Ru1 C104 H104 118.3 . . ?
C103 C104 Ru1 69.18(9) . . ?
C103 C104 H104 118.3 . . ?
C105 C104 Ru1 74.96(9) . . ?
C105 C104 C103 122.27(16) . . ?
C105 C104 H104 118.3 . . ?
C104 C105 Ru1 70.78(9) . . ?
C104 C105 C106 117.28(17) . . ?
C104 C105 C108 121.35(16) . . ?
C106 C105 Ru1 68.06(11) . . ?
C106 C105 C108 121.29(18) . . ?
C108 C105 Ru1 135.10(12) . . ?
Ru1 C106 H106 119.6 . . ?
C105 C106 Ru1 76.37(11) . . ?
C105 C106 H106 119.6 . . ?
C107 C106 Ru1 71.96(12) . . ?
C107 C106 C105 120.7(2) . . ?
C107 C106 H106 119.6 . . ?
Ru1 C107 H107 118.9 . . ?
C102 C107 Ru1 72.59(9) . . ?
C102 C107 H107 118.9 . . ?
C106 C107 Ru1 72.31(11) . . ?
C106 C107 C102 121.44(17) . . ?
C106 C107 H107 118.9 . . ?
C105 C108 H10A 109.5 . . ?
C105 C108 H10B 109.5 . . ?
C105 C108 H10C 109.5 . . ?
H10A C108 H10B 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
C102 C109 H109 107.8 . . ?
C102 C109 C110 114.78(15) . . ?
C102 C109 C111 107.43(15) . . ?
C110 C109 H109 107.8 . . ?
C110 C109 C111 110.99(17) . . ?
C111 C109 H109 107.8 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C109 C111 H11D 109.5 . . ?
C109 C111 H11E 109.5 . . ?
C109 C111 H11F 109.5 . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 C2 B3 C1 105.50(12) . . . . ?
Ru1 C2 B3 B4 139.71(11) . . . . ?
Ru1 C2 B3 B7 -117.47(12) . . . . ?
Ru1 C2 B3 B8 -156.58(10) . . . . ?
Ru1 C2 B6 C1 -103.00(13) . . . . ?
Ru1 C2 B6 B5 -137.37(12) . . . . ?
Ru1 C2 B6 B10 158.79(11) . . . . ?
Ru1 C2 B6 B11 119.19(13) . . . . ?
Ru1 C2 B7 B3 101.74(14) . . . . ?
Ru1 C2 B7 B8 139.86(12) . . . . ?
Ru1 C2 B7 B11 -118.15(14) . . . . ?
Ru1 C2 B7 B12 -157.34(12) . . . . ?
Ru1 C2 B11 B6 -107.02(15) . . . . ?
Ru1 C2 B11 B7 113.38(14) . . . . ?
Ru1 C2 B11 B10 -145.01(12) . . . . ?
Ru1 C2 B11 B12 152.35(12) . . . . ?
Ru1 C2' B3' C1' 103.15(14) . . . . ?
Ru1 C2' B3' B4' 137.12(13) . . . . ?
Ru1 C2' B3' B8' -158.67(13) . . . . ?
Ru1 C2' B3' B7' -119.47(15) . . . . ?
Ru1 C2' B6' C1' -103.36(15) . . . . ?
Ru1 C2' B6' B5' -137.88(13) . . . . ?
Ru1 C2' B6' B11' 119.63(15) . . . . ?
Ru1 C2' B6' B10' 158.42(12) . . . . ?
Ru1 C2' B7' B3' 104.46(18) . . . . ?
Ru1 C2' B7' B8' 142.14(15) . . . . ?
Ru1 C2' B7' B11' -116.58(17) . . . . ?
Ru1 C2' B7' B12' -155.36(14) . . . . ?
Ru1 C2' B11' B6' -103.41(16) . . . . ?
Ru1 C2' B11' B7' 116.84(16) . . . . ?
Ru1 C2' B11' B10' -141.05(13) . . . . ?
Ru1 C2' B11' B12' 155.90(13) . . . . ?
Ru1 C102 C103 C104 -60.70(13) . . . . ?
Ru1 C102 C107 C106 55.60(15) . . . . ?
Ru1 C102 C109 C110 -59.8(2) . . . . ?
Ru1 C102 C109 C111 176.25(14) . . . . ?
Ru1 C103 C104 C105 -55.36(14) . . . . ?
Ru1 C104 C105 C106 -51.32(14) . . . . ?
Ru1 C104 C105 C108 131.76(15) . . . . ?
Ru1 C105 C106 C107 -59.02(16) . . . . ?
Ru1 C106 C107 C102 -55.73(14) . . . . ?
C1 C2 B3 B4 34.21(12) . . . . ?
C1 C2 B3 B7 137.03(13) . . . . ?
C1 C2 B3 B8 97.92(13) . . . . ?
C1 C2 B6 B5 -34.37(13) . . . . ?
C1 C2 B6 B10 -98.20(14) . . . . ?
C1 C2 B6 B11 -137.81(13) . . . . ?
C1 C2 B7 B3 -39.01(12) . . . . ?
C1 C2 B7 B8 -0.90(17) . . . . ?
C1 C2 B7 B11 101.09(13) . . . . ?
C1 C2 B7 B12 61.91(16) . . . . ?
C1 C2 B11 B6 38.03(12) . . . . ?
C1 C2 B11 B7 -101.57(13) . . . . ?
C1 C2 B11 B10 0.04(17) . . . . ?
C1 C2 B11 B12 -62.59(16) . . . . ?
C1 B3 B4 B5 34.85(13) . . . . ?
C1 B3 B4 B8 135.46(14) . . . . ?
C1 B3 B4 B9 98.27(14) . . . . ?
C1 B3 B7 C2 37.03(11) . . . . ?
C1 B3 B7 B8 -99.63(13) . . . . ?
C1 B3 B7 B11 1.44(16) . . . . ?
C1 B3 B7 B12 -62.48(16) . . . . ?
C1 B3 B8 B4 -38.53(12) . . . . ?
C1 B3 B8 B7 99.70(14) . . . . ?
C1 B3 B8 B9 -1.22(17) . . . . ?
C1 B3 B8 B12 62.50(16) . . . . ?
C1 B4 B5 B6 35.03(13) . . . . ?
C1 B4 B5 B9 134.87(14) . . . . ?
C1 B4 B5 B10 97.13(14) . . . . ?
C1 B4 B8 B3 38.73(12) . . . . ?
C1 B4 B8 B7 1.66(17) . . . . ?
C1 B4 B8 B9 -99.46(14) . . . . ?
C1 B4 B8 B12 -61.78(16) . . . . ?
C1 B4 B9 B5 -39.15(12) . . . . ?
C1 B4 B9 B8 98.90(13) . . . . ?
C1 B4 B9 B10 -1.75(17) . . . . ?
C1 B4 B9 B12 61.44(16) . . . . ?
C1 B5 B6 C2 34.03(12) . . . . ?
C1 B5 B6 B10 136.02(14) . . . . ?
C1 B5 B6 B11 97.28(14) . . . . ?
C1 B5 B9 B4 39.02(12) . . . . ?
C1 B5 B9 B8 1.38(18) . . . . ?
C1 B5 B9 B10 -99.03(14) . . . . ?
C1 B5 B9 B12 -61.84(17) . . . . ?
C1 B5 B10 B6 -38.11(13) . . . . ?
C1 B5 B10 B9 99.23(14) . . . . ?
C1 B5 B10 B11 -1.10(18) . . . . ?
C1 B5 B10 B12 62.02(16) . . . . ?
C1 B6 B10 B5 38.26(12) . . . . ?
C1 B6 B10 B9 0.37(17) . . . . ?
C1 B6 B10 B11 -99.77(14) . . . . ?
C1 B6 B10 B12 -62.75(16) . . . . ?
C1 B6 B11 C2 -36.36(11) . . . . ?
C1 B6 B11 B7 -0.27(17) . . . . ?
C1 B6 B11 B10 100.25(14) . . . . ?
C1 B6 B11 B12 63.25(16) . . . . ?
C1 C1' C2' Ru1 -0.13(18) . . . . ?
C1 C1' C2' B3' 109.89(15) . . . . ?
C1 C1' C2' B6' -108.94(15) . . . . ?
C1 C1' C2' B7' 148.27(15) . . . . ?
C1 C1' C2' B11' -147.55(14) . . . . ?
C1 C1' B3' C2' -102.43(15) . . . . ?
C1 C1' B3' B4' 116.06(15) . . . . ?
C1 C1' B3' B8' 155.77(13) . . . . ?
C1 C1' B3' B7' -139.91(13) . . . . ?
C1 C1' B4' B3' -105.55(17) . . . . ?
C1 C1' B4' B5' 113.95(18) . . . . ?
C1 C1' B4' B9' 153.33(16) . . . . ?
C1 C1' B4' B8' -144.32(16) . . . . ?
C1 C1' B5' B4' -114.35(16) . . . . ?
C1 C1' B5' B6' 105.02(16) . . . . ?
C1 C1' B5' B9' -154.02(14) . . . . ?
C1 C1' B5' B10' 143.27(14) . . . . ?
C1 C1' B6' C2' 102.93(15) . . . . ?
C1 C1' B6' B5' -116.30(15) . . . . ?
C1 C1' B6' B11' 140.83(14) . . . . ?
C1 C1' B6' B10' -155.33(14) . . . . ?
C2 C1 B3 B4 -140.95(14) . . . . ?
C2 C1 B3 B7 -37.87(12) . . . . ?
C2 C1 B3 B8 -101.55(14) . . . . ?
C2 C1 B4 B3 36.27(12) . . . . ?
C2 C1 B4 B5 -104.44(14) . . . . ?
C2 C1 B4 B8 -2.30(17) . . . . ?
C2 C1 B4 B9 -64.79(16) . . . . ?
C2 C1 B5 B4 103.52(14) . . . . ?
C2 C1 B5 B6 -36.82(13) . . . . ?
C2 C1 B5 B9 64.07(17) . . . . ?
C2 C1 B5 B10 1.17(18) . . . . ?
C2 C1 B6 B5 140.82(14) . . . . ?
C2 C1 B6 B10 101.76(14) . . . . ?
C2 C1 B6 B11 37.16(12) . . . . ?
C2 C1 C1' C2' -1.86(19) . . . . ?
C2 C1 C1' B3' 66.37(16) . . . . ?
C2 C1 C1' B4' 139.22(15) . . . . ?
C2 C1 C1' B5' -143.52(14) . . . . ?
C2 C1 C1' B6' -70.18(17) . . . . ?
C2 B3 B4 C1 -34.00(12) . . . . ?
C2 B3 B4 B5 0.85(18) . . . . ?
C2 B3 B4 B8 101.46(14) . . . . ?
C2 B3 B4 B9 64.27(16) . . . . ?
C2 B3 B7 B8 -136.66(13) . . . . ?
C2 B3 B7 B11 -35.60(12) . . . . ?
C2 B3 B7 B12 -99.51(14) . . . . ?
C2 B3 B8 B4 -99.57(13) . . . . ?
C2 B3 B8 B7 38.66(12) . . . . ?
C2 B3 B8 B9 -62.25(16) . . . . ?
C2 B3 B8 B12 1.46(17) . . . . ?
C2 B6 B10 B5 99.31(14) . . . . ?
C2 B6 B10 B9 61.42(17) . . . . ?
C2 B6 B10 B11 -38.72(13) . . . . ?
C2 B6 B10 B12 -1.70(18) . . . . ?
C2 B6 B11 B7 36.10(12) . . . . ?
C2 B6 B11 B10 136.61(14) . . . . ?
C2 B6 B11 B12 99.61(14) . . . . ?
C2 B7 B8 B3 -38.04(12) . . . . ?
C2 B7 B8 B4 -0.50(18) . . . . ?
C2 B7 B8 B9 62.71(17) . . . . ?
C2 B7 B8 B12 100.26(15) . . . . ?
C2 B7 B11 B6 -36.29(12) . . . . ?
C2 B7 B11 B10 -98.96(14) . . . . ?
C2 B7 B11 B12 -135.98(14) . . . . ?
C2 B7 B12 B8 -99.57(14) . . . . ?
C2 B7 B12 B9 -62.28(17) . . . . ?
C2 B7 B12 B10 1.47(18) . . . . ?
C2 B7 B12 B11 38.76(13) . . . . ?
C2 B11 B12 B7 -38.71(12) . . . . ?
C2 B11 B12 B8 -1.51(18) . . . . ?
C2 B11 B12 B9 61.78(17) . . . . ?
C2 B11 B12 B10 99.80(14) . . . . ?
B3 C1 C2 Ru1 -106.41(12) . . . . ?
B3 C1 C2 B6 141.21(13) . . . . ?
B3 C1 C2 B7 38.79(12) . . . . ?
B3 C1 C2 B11 103.35(14) . . . . ?
B3 C1 B4 B5 -140.71(14) . . . . ?
B3 C1 B4 B8 -38.57(12) . . . . ?
B3 C1 B4 B9 -101.06(14) . . . . ?
B3 C1 B5 B4 37.21(13) . . . . ?
B3 C1 B5 B6 -103.13(14) . . . . ?
B3 C1 B5 B9 -2.24(18) . . . . ?
B3 C1 B5 B10 -65.14(17) . . . . ?
B3 C1 B6 C2 -35.95(12) . . . . ?
B3 C1 B6 B5 104.87(14) . . . . ?
B3 C1 B6 B10 65.81(15) . . . . ?
B3 C1 B6 B11 1.21(17) . . . . ?
B3 C1 C1' C2' 66.19(18) . . . . ?
B3 C1 C1' B3' 134.42(14) . . . . ?
B3 C1 C1' B4' -152.72(15) . . . . ?
B3 C1 C1' B5' -75.46(18) . . . . ?
B3 C1 C1' B6' -2.12(19) . . . . ?
B3 C2 B6 C1 35.91(13) . . . . ?
B3 C2 B6 B5 1.54(18) . . . . ?
B3 C2 B6 B10 -62.30(17) . . . . ?
B3 C2 B6 B11 -101.90(14) . . . . ?
B3 C2 B7 B8 38.11(12) . . . . ?
B3 C2 B7 B11 140.10(13) . . . . ?
B3 C2 B7 B12 100.92(14) . . . . ?
B3 C2 B11 B6 103.09(13) . . . . ?
B3 C2 B11 B7 -36.51(12) . . . . ?
B3 C2 B11 B10 65.10(16) . . . . ?
B3 C2 B11 B12 2.47(17) . . . . ?
B3 B4 B5 C1 -34.96(12) . . . . ?
B3 B4 B5 B6 0.07(19) . . . . ?
B3 B4 B5 B9 99.90(15) . . . . ?
B3 B4 B5 B10 62.16(17) . . . . ?
B3 B4 B8 B7 -37.07(13) . . . . ?
B3 B4 B8 B9 -138.19(14) . . . . ?
B3 B4 B8 B12 -100.51(15) . . . . ?
B3 B4 B9 B5 -101.29(14) . . . . ?
B3 B4 B9 B8 36.76(13) . . . . ?
B3 B4 B9 B10 -63.89(17) . . . . ?
B3 B4 B9 B12 -0.71(18) . . . . ?
B3 B7 B8 B4 37.54(13) . . . . ?
B3 B7 B8 B9 100.75(15) . . . . ?
B3 B7 B8 B12 138.30(14) . . . . ?
B3 B7 B11 C2 35.55(12) . . . . ?
B3 B7 B11 B6 -0.74(17) . . . . ?
B3 B7 B11 B10 -63.41(16) . . . . ?
B3 B7 B11 B12 -100.43(14) . . . . ?
B3 B7 B12 B8 -37.03(13) . . . . ?
B3 B7 B12 B9 0.27(18) . . . . ?
B3 B7 B12 B10 64.02(17) . . . . ?
B3 B7 B12 B11 101.31(15) . . . . ?
B3 B8 B9 B4 -37.64(13) . . . . ?
B3 B8 B9 B5 -0.10(18) . . . . ?
B3 B8 B9 B10 63.19(18) . . . . ?
B3 B8 B9 B12 100.34(15) . . . . ?
B3 B8 B12 B7 36.93(12) . . . . ?
B3 B8 B12 B9 -101.29(14) . . . . ?
B3 B8 B12 B10 -63.81(16) . . . . ?
B3 B8 B12 B11 0.04(18) . . . . ?
B4 C1 C2 Ru1 -143.15(11) . . . . ?
B4 C1 C2 B3 -36.74(13) . . . . ?
B4 C1 C2 B6 104.47(14) . . . . ?
B4 C1 C2 B7 2.05(17) . . . . ?
B4 C1 C2 B11 66.60(16) . . . . ?
B4 C1 B3 C2 140.95(14) . . . . ?
B4 C1 B3 B7 103.08(14) . . . . ?
B4 C1 B3 B8 39.40(13) . . . . ?
B4 C1 B5 B6 -140.34(14) . . . . ?
B4 C1 B5 B9 -39.45(13) . . . . ?
B4 C1 B5 B10 -102.35(15) . . . . ?
B4 C1 B6 C2 -103.31(13) . . . . ?
B4 C1 B6 B5 37.51(13) . . . . ?
B4 C1 B6 B10 -1.56(17) . . . . ?
B4 C1 B6 B11 -66.15(15) . . . . ?
B4 C1 C1' C2' 139.56(14) . . . . ?
B4 C1 C1' B3' -152.21(14) . . . . ?
B4 C1 C1' B4' -79.4(2) . . . . ?
B4 C1 C1' B5' -2.1(2) . . . . ?
B4 C1 C1' B6' 71.25(17) . . . . ?
B4 B3 B7 C2 98.79(13) . . . . ?
B4 B3 B7 B8 -37.87(13) . . . . ?
B4 B3 B7 B11 63.20(16) . . . . ?
B4 B3 B7 B12 -0.72(18) . . . . ?
B4 B3 B8 B7 138.23(14) . . . . ?
B4 B3 B8 B9 37.31(13) . . . . ?
B4 B3 B8 B12 101.03(15) . . . . ?
B4 B5 B6 C1 -34.99(13) . . . . ?
B4 B5 B6 C2 -0.95(19) . . . . ?
B4 B5 B6 B10 101.03(16) . . . . ?
B4 B5 B6 B11 62.30(18) . . . . ?
B4 B5 B9 B8 -37.64(13) . . . . ?
B4 B5 B9 B10 -138.05(13) . . . . ?
B4 B5 B9 B12 -100.86(15) . . . . ?
B4 B5 B10 B6 -99.87(14) . . . . ?
B4 B5 B10 B9 37.48(12) . . . . ?
B4 B5 B10 B11 -62.85(17) . . . . ?
B4 B5 B10 B12 0.27(17) . . . . ?
B4 B8 B9 B5 37.53(13) . . . . ?
B4 B8 B9 B10 100.83(15) . . . . ?
B4 B8 B9 B12 137.98(14) . . . . ?
B4 B8 B12 B7 100.79(14) . . . . ?
B4 B8 B12 B9 -37.43(13) . . . . ?
B4 B8 B12 B10 0.05(18) . . . . ?
B4 B8 B12 B11 63.90(17) . . . . ?
B4 B9 B10 B5 -37.46(12) . . . . ?
B4 B9 B10 B6 0.86(18) . . . . ?
B4 B9 B10 B11 63.17(17) . . . . ?
B4 B9 B10 B12 100.78(15) . . . . ?
B4 B9 B12 B7 0.28(19) . . . . ?
B4 B9 B12 B8 37.66(13) . . . . ?
B4 B9 B12 B10 -100.62(15) . . . . ?
B4 B9 B12 B11 -62.54(17) . . . . ?
B5 C1 C2 Ru1 149.46(11) . . . . ?
B5 C1 C2 B3 -104.13(14) . . . . ?
B5 C1 C2 B6 37.09(13) . . . . ?
B5 C1 C2 B7 -65.33(16) . . . . ?
B5 C1 C2 B11 -0.78(17) . . . . ?
B5 C1 B3 C2 103.75(14) . . . . ?
B5 C1 B3 B4 -37.20(13) . . . . ?
B5 C1 B3 B7 65.88(16) . . . . ?
B5 C1 B3 B8 2.20(17) . . . . ?
B5 C1 B4 B3 140.71(14) . . . . ?
B5 C1 B4 B8 102.14(15) . . . . ?
B5 C1 B4 B9 39.65(13) . . . . ?
B5 C1 B6 C2 -140.82(14) . . . . ?
B5 C1 B6 B10 -39.07(13) . . . . ?
B5 C1 B6 B11 -103.66(14) . . . . ?
B5 C1 C1' C2' -143.69(15) . . . . ?
B5 C1 C1' B3' -75.46(18) . . . . ?
B5 C1 C1' B4' -2.6(2) . . . . ?
B5 C1 C1' B5' 74.7(2) . . . . ?
B5 C1 C1' B6' 148.00(15) . . . . ?
B5 B4 B8 B3 100.63(14) . . . . ?
B5 B4 B8 B7 63.56(16) . . . . ?
B5 B4 B8 B9 -37.56(12) . . . . ?
B5 B4 B8 B12 0.12(17) . . . . ?
B5 B4 B9 B8 138.05(13) . . . . ?
B5 B4 B9 B10 37.41(13) . . . . ?
B5 B4 B9 B12 100.59(15) . . . . ?
B5 B6 B10 B9 -37.89(13) . . . . ?
B5 B6 B10 B11 -138.03(14) . . . . ?
B5 B6 B10 B12 -101.01(15) . . . . ?
B5 B6 B11 C2 -98.40(14) . . . . ?
B5 B6 B11 B7 -62.30(16) . . . . ?
B5 B6 B11 B10 38.21(13) . . . . ?
B5 B6 B11 B12 1.21(18) . . . . ?
B5 B9 B10 B6 38.33(13) . . . . ?
B5 B9 B10 B11 100.63(14) . . . . ?
B5 B9 B10 B12 138.25(14) . . . . ?
B5 B9 B12 B7 63.67(17) . . . . ?
B5 B9 B12 B8 101.05(15) . . . . ?
B5 B9 B12 B10 -37.23(13) . . . . ?
B5 B9 B12 B11 0.85(18) . . . . ?
B5 B10 B11 C2 0.67(18) . . . . ?
B5 B10 B11 B6 -37.71(13) . . . . ?
B5 B10 B11 B7 63.38(17) . . . . ?
B5 B10 B11 B12 100.57(16) . . . . ?
B5 B10 B12 B7 -63.75(17) . . . . ?
B5 B10 B12 B8 -0.19(18) . . . . ?
B5 B10 B12 B9 37.10(13) . . . . ?
B5 B10 B12 B11 -100.57(14) . . . . ?
B6 C1 C2 Ru1 112.38(13) . . . . ?
B6 C1 C2 B3 -141.21(13) . . . . ?
B6 C1 C2 B7 -102.42(14) . . . . ?
B6 C1 C2 B11 -37.87(12) . . . . ?
B6 C1 B3 C2 36.21(12) . . . . ?
B6 C1 B3 B4 -104.74(14) . . . . ?
B6 C1 B3 B7 -1.66(16) . . . . ?
B6 C1 B3 B8 -65.34(16) . . . . ?
B6 C1 B4 B3 103.13(14) . . . . ?
B6 C1 B4 B5 -37.58(13) . . . . ?
B6 C1 B4 B8 64.56(15) . . . . ?
B6 C1 B4 B9 2.07(16) . . . . ?
B6 C1 B5 B4 140.34(14) . . . . ?
B6 C1 B5 B9 100.89(15) . . . . ?
B6 C1 B5 B10 37.99(13) . . . . ?
B6 C1 C1' C2' -70.55(16) . . . . ?
B6 C1 C1' B3' -2.32(17) . . . . ?
B6 C1 C1' B4' 70.53(19) . . . . ?
B6 C1 C1' B5' 147.79(14) . . . . ?
B6 C1 C1' B6' -138.86(14) . . . . ?
B6 C2 B3 C1 -35.70(13) . . . . ?
B6 C2 B3 B4 -1.49(18) . . . . ?
B6 C2 B3 B7 101.33(14) . . . . ?
B6 C2 B3 B8 62.22(16) . . . . ?
B6 C2 B7 B3 -103.47(13) . . . . ?
B6 C2 B7 B8 -65.36(16) . . . . ?
B6 C2 B7 B11 36.63(13) . . . . ?
B6 C2 B7 B12 -2.55(17) . . . . ?
B6 C2 B11 B7 -139.60(13) . . . . ?
B6 C2 B11 B10 -37.99(13) . . . . ?
B6 C2 B11 B12 -100.62(14) . . . . ?
B6 B5 B9 B4 100.75(14) . . . . ?
B6 B5 B9 B8 63.11(17) . . . . ?
B6 B5 B9 B10 -37.30(13) . . . . ?
B6 B5 B9 B12 -0.11(18) . . . . ?
B6 B5 B10 B9 137.35(14) . . . . ?
B6 B5 B10 B11 37.02(13) . . . . ?
B6 B5 B10 B12 100.14(14) . . . . ?
B6 B10 B11 C2 38.38(13) . . . . ?
B6 B10 B11 B7 101.09(15) . . . . ?
B6 B10 B11 B12 138.28(15) . . . . ?
B6 B10 B12 B7 0.13(19) . . . . ?
B6 B10 B12 B8 63.69(17) . . . . ?
B6 B10 B12 B9 100.98(15) . . . . ?
B6 B10 B12 B11 -36.69(13) . . . . ?
B6 B11 B12 B7 -101.76(14) . . . . ?
B6 B11 B12 B8 -64.56(17) . . . . ?
B6 B11 B12 B9 -1.27(18) . . . . ?
B6 B11 B12 B10 36.75(13) . . . . ?
B7 C2 B3 C1 -137.03(13) . . . . ?
B7 C2 B3 B4 -102.82(14) . . . . ?
B7 C2 B3 B8 -39.11(12) . . . . ?
B7 C2 B6 C1 100.89(14) . . . . ?
B7 C2 B6 B5 66.52(17) . . . . ?
B7 C2 B6 B10 2.68(18) . . . . ?
B7 C2 B6 B11 -36.92(13) . . . . ?
B7 C2 B11 B6 139.60(13) . . . . ?
B7 C2 B11 B10 101.61(15) . . . . ?
B7 C2 B11 B12 38.98(13) . . . . ?
B7 B3 B4 C1 -97.38(14) . . . . ?
B7 B3 B4 B5 -62.53(17) . . . . ?
B7 B3 B4 B8 38.08(13) . . . . ?
B7 B3 B4 B9 0.89(18) . . . . ?
B7 B3 B8 B4 -138.23(14) . . . . ?
B7 B3 B8 B9 -100.91(15) . . . . ?
B7 B3 B8 B12 -37.20(13) . . . . ?
B7 B8 B9 B4 -100.54(14) . . . . ?
B7 B8 B9 B5 -63.01(17) . . . . ?
B7 B8 B9 B10 0.28(19) . . . . ?
B7 B8 B9 B12 37.43(13) . . . . ?
B7 B8 B12 B9 -138.22(14) . . . . ?
B7 B8 B12 B10 -100.74(15) . . . . ?
B7 B8 B12 B11 -36.89(13) . . . . ?
B7 B11 B12 B8 37.20(13) . . . . ?
B7 B11 B12 B9 100.49(15) . . . . ?
B7 B11 B12 B10 138.51(15) . . . . ?
B8 B3 B4 C1 -135.46(14) . . . . ?
B8 B3 B4 B5 -100.61(15) . . . . ?
B8 B3 B4 B9 -37.19(13) . . . . ?
B8 B3 B7 C2 136.66(13) . . . . ?
B8 B3 B7 B11 101.07(14) . . . . ?
B8 B3 B7 B12 37.15(13) . . . . ?
B8 B4 B5 C1 -97.37(13) . . . . ?
B8 B4 B5 B6 -62.34(17) . . . . ?
B8 B4 B5 B9 37.50(12) . . . . ?
B8 B4 B5 B10 -0.24(17) . . . . ?
B8 B4 B9 B5 -138.05(13) . . . . ?
B8 B4 B9 B10 -100.65(15) . . . . ?
B8 B4 B9 B12 -37.46(13) . . . . ?
B8 B7 B11 C2 98.67(14) . . . . ?
B8 B7 B11 B6 62.38(17) . . . . ?
B8 B7 B11 B10 -0.29(18) . . . . ?
B8 B7 B11 B12 -37.30(13) . . . . ?
B8 B7 B12 B9 37.30(13) . . . . ?
B8 B7 B12 B10 101.04(15) . . . . ?
B8 B7 B12 B11 138.33(14) . . . . ?
B8 B9 B10 B5 -101.09(15) . . . . ?
B8 B9 B10 B6 -62.76(18) . . . . ?
B8 B9 B10 B11 -0.46(19) . . . . ?
B8 B9 B10 B12 37.16(13) . . . . ?
B8 B9 B12 B7 -37.38(13) . . . . ?
B8 B9 B12 B10 -138.28(14) . . . . ?
B8 B9 B12 B11 -100.20(15) . . . . ?
B9 B4 B5 C1 -134.87(14) . . . . ?
B9 B4 B5 B6 -99.84(15) . . . . ?
B9 B4 B5 B10 -37.74(13) . . . . ?
B9 B4 B8 B3 138.19(14) . . . . ?
B9 B4 B8 B7 101.11(15) . . . . ?
B9 B4 B8 B12 37.68(13) . . . . ?
B9 B5 B6 C1 -97.97(14) . . . . ?
B9 B5 B6 C2 -63.94(17) . . . . ?
B9 B5 B6 B10 38.04(13) . . . . ?
B9 B5 B6 B11 -0.69(18) . . . . ?
B9 B5 B10 B6 -137.35(14) . . . . ?
B9 B5 B10 B11 -100.33(15) . . . . ?
B9 B5 B10 B12 -37.21(13) . . . . ?
B9 B8 B12 B7 138.22(14) . . . . ?
B9 B8 B12 B10 37.48(13) . . . . ?
B9 B8 B12 B11 101.33(15) . . . . ?
B9 B10 B11 C2 -62.25(17) . . . . ?
B9 B10 B11 B6 -100.63(15) . . . . ?
B9 B10 B11 B7 0.46(18) . . . . ?
B9 B10 B11 B12 37.65(14) . . . . ?
B9 B10 B12 B7 -100.85(15) . . . . ?
B9 B10 B12 B8 -37.29(13) . . . . ?
B9 B10 B12 B11 -137.68(14) . . . . ?
B10 B5 B6 C1 -136.02(14) . . . . ?
B10 B5 B6 C2 -101.98(15) . . . . ?
B10 B5 B6 B11 -38.73(13) . . . . ?
B10 B5 B9 B4 138.05(13) . . . . ?
B10 B5 B9 B8 100.41(15) . . . . ?
B10 B5 B9 B12 37.19(13) . . . . ?
B10 B6 B11 C2 -136.61(14) . . . . ?
B10 B6 B11 B7 -100.51(15) . . . . ?
B10 B6 B11 B12 -37.00(13) . . . . ?
B10 B9 B12 B7 100.90(15) . . . . ?
B10 B9 B12 B8 138.28(14) . . . . ?
B10 B9 B12 B11 38.08(13) . . . . ?
B10 B11 B12 B7 -138.51(15) . . . . ?
B10 B11 B12 B8 -101.31(16) . . . . ?
B10 B11 B12 B9 -38.02(14) . . . . ?
B11 C2 B3 C1 -100.40(13) . . . . ?
B11 C2 B3 B4 -66.19(16) . . . . ?
B11 C2 B3 B7 36.63(12) . . . . ?
B11 C2 B3 B8 -2.48(16) . . . . ?
B11 C2 B6 C1 137.81(13) . . . . ?
B11 C2 B6 B5 103.44(15) . . . . ?
B11 C2 B6 B10 39.61(13) . . . . ?
B11 C2 B7 B3 -140.10(13) . . . . ?
B11 C2 B7 B8 -101.99(14) . . . . ?
B11 C2 B7 B12 -39.18(13) . . . . ?
B11 B6 B10 B5 138.03(14) . . . . ?
B11 B6 B10 B9 100.15(15) . . . . ?
B11 B6 B10 B12 37.02(13) . . . . ?
B11 B7 B8 B3 -100.74(14) . . . . ?
B11 B7 B8 B4 -63.21(17) . . . . ?
B11 B7 B8 B9 0.00(18) . . . . ?
B11 B7 B8 B12 37.56(13) . . . . ?
B11 B7 B12 B8 -138.33(14) . . . . ?
B11 B7 B12 B9 -101.04(16) . . . . ?
B11 B7 B12 B10 -37.29(13) . . . . ?
B11 B10 B12 B7 36.83(13) . . . . ?
B11 B10 B12 B8 100.38(15) . . . . ?
B11 B10 B12 B9 137.68(14) . . . . ?
B12 B7 B8 B3 -138.30(14) . . . . ?
B12 B7 B8 B4 -100.76(15) . . . . ?
B12 B7 B8 B9 -37.56(14) . . . . ?
B12 B7 B11 C2 135.98(14) . . . . ?
B12 B7 B11 B6 99.69(15) . . . . ?
B12 B7 B11 B10 37.02(13) . . . . ?
B12 B8 B9 B4 -137.98(14) . . . . ?
B12 B8 B9 B5 -100.44(15) . . . . ?
B12 B8 B9 B10 -37.15(14) . . . . ?
B12 B9 B10 B5 -138.25(14) . . . . ?
B12 B9 B10 B6 -99.92(15) . . . . ?
B12 B9 B10 B11 -37.61(13) . . . . ?
B12 B10 B11 C2 -99.90(15) . . . . ?
B12 B10 B11 B6 -138.28(15) . . . . ?
B12 B10 B11 B7 -37.19(13) . . . . ?
C1' C1 C2 Ru1 3.17(17) . . . . ?
C1' C1 C2 B3 109.58(15) . . . . ?
C1' C1 C2 B6 -109.21(15) . . . . ?
C1' C1 C2 B7 148.37(13) . . . . ?
C1' C1 C2 B11 -147.08(14) . . . . ?
C1' C1 B3 C2 -102.87(14) . . . . ?
C1' C1 B3 B4 116.18(15) . . . . ?
C1' C1 B3 B7 -140.74(14) . . . . ?
C1' C1 B3 B8 155.58(13) . . . . ?
C1' C1 B4 B3 -105.75(16) . . . . ?
C1' C1 B4 B5 113.54(16) . . . . ?
C1' C1 B4 B8 -144.31(14) . . . . ?
C1' C1 B4 B9 153.20(14) . . . . ?
C1' C1 B5 B4 -114.24(17) . . . . ?
C1' C1 B5 B6 105.41(17) . . . . ?
C1' C1 B5 B9 -153.69(15) . . . . ?
C1' C1 B5 B10 143.41(15) . . . . ?
C1' C1 B6 C2 103.33(14) . . . . ?
C1' C1 B6 B5 -115.84(14) . . . . ?
C1' C1 B6 B10 -154.91(13) . . . . ?
C1' C1 B6 B11 140.49(13) . . . . ?
C1' C2' B3' B4' 33.97(14) . . . . ?
C1' C2' B3' B8' 98.18(16) . . . . ?
C1' C2' B3' B7' 137.37(15) . . . . ?
C1' C2' B6' B5' -34.52(13) . . . . ?
C1' C2' B6' B11' -137.01(14) . . . . ?
C1' C2' B6' B10' -98.22(14) . . . . ?
C1' C2' B7' B3' -38.38(14) . . . . ?
C1' C2' B7' B8' -0.7(2) . . . . ?
C1' C2' B7' B11' 100.58(16) . . . . ?
C1' C2' B7' B12' 61.80(18) . . . . ?
C1' C2' B11' B6' 38.32(13) . . . . ?
C1' C2' B11' B7' -101.44(15) . . . . ?
C1' C2' B11' B10' 0.68(19) . . . . ?
C1' C2' B11' B12' -62.37(18) . . . . ?
C1' B3' B4' B5' 34.89(13) . . . . ?
C1' B3' B4' B9' 98.03(15) . . . . ?
C1' B3' B4' B8' 135.32(15) . . . . ?
C1' B3' B8' B4' -38.82(13) . . . . ?
C1' B3' B8' B9' -1.07(18) . . . . ?
C1' B3' B8' B7' 99.82(14) . . . . ?
C1' B3' B8' B12' 62.59(17) . . . . ?
C1' B3' B7' C2' 36.91(12) . . . . ?
C1' B3' B7' B8' -100.02(15) . . . . ?
C1' B3' B7' B11' 0.19(17) . . . . ?
C1' B3' B7' B12' -63.25(16) . . . . ?
C1' B4' B5' B6' 34.66(13) . . . . ?
C1' B4' B5' B9' 134.98(14) . . . . ?
C1' B4' B5' B10' 97.09(14) . . . . ?
C1' B4' B9' B5' -38.87(13) . . . . ?
C1' B4' B9' B8' 99.24(15) . . . . ?
C1' B4' B9' B10' -1.33(19) . . . . ?
C1' B4' B9' B12' 61.97(18) . . . . ?
C1' B4' B8' B3' 38.98(13) . . . . ?
C1' B4' B8' B9' -98.99(15) . . . . ?
C1' B4' B8' B7' 2.3(2) . . . . ?
C1' B4' B8' B12' -61.42(18) . . . . ?
C1' B5' B6' C2' 34.47(13) . . . . ?
C1' B5' B6' B11' 97.83(15) . . . . ?
C1' B5' B6' B10' 135.89(15) . . . . ?
C1' B5' B9' B4' 39.00(13) . . . . ?
C1' B5' B9' B8' 1.73(18) . . . . ?
C1' B5' B9' B10' -98.76(14) . . . . ?
C1' B5' B9' B12' -61.50(18) . . . . ?
C1' B5' B10' B6' -38.09(12) . . . . ?
C1' B5' B10' B9' 99.65(15) . . . . ?
C1' B5' B10' B11' -0.91(18) . . . . ?
C1' B5' B10' B12' 62.37(16) . . . . ?
C1' B6' B11' C2' -37.36(12) . . . . ?
C1' B6' B11' B7' -1.58(17) . . . . ?
C1' B6' B11' B10' 99.75(14) . . . . ?
C1' B6' B11' B12' 62.54(17) . . . . ?
C1' B6' B10' B5' 38.31(13) . . . . ?
C1' B6' B10' B9' 0.54(18) . . . . ?
C1' B6' B10' B11' -99.96(15) . . . . ?
C1' B6' B10' B12' -62.85(17) . . . . ?
C2' C1' B3' B4' -141.51(16) . . . . ?
C2' C1' B3' B8' -101.80(16) . . . . ?
C2' C1' B3' B7' -37.48(13) . . . . ?
C2' C1' B4' B3' 35.93(15) . . . . ?
C2' C1' B4' B5' -104.57(15) . . . . ?
C2' C1' B4' B9' -65.19(18) . . . . ?
C2' C1' B4' B8' -2.8(2) . . . . ?
C2' C1' B5' B4' 103.77(15) . . . . ?
C2' C1' B5' B6' -36.86(13) . . . . ?
C2' C1' B5' B9' 64.10(17) . . . . ?
C2' C1' B5' B10' 1.39(18) . . . . ?
C2' C1' B6' B5' 140.77(15) . . . . ?
C2' C1' B6' B11' 37.90(13) . . . . ?
C2' C1' B6' B10' 101.74(15) . . . . ?
C2' B3' B4' C1' -33.78(13) . . . . ?
C2' B3' B4' B5' 1.11(19) . . . . ?
C2' B3' B4' B9' 64.24(18) . . . . ?
C2' B3' B4' B8' 101.54(16) . . . . ?
C2' B3' B8' B4' -100.27(15) . . . . ?
C2' B3' B8' B9' -62.51(18) . . . . ?
C2' B3' B8' B7' 38.37(14) . . . . ?
C2' B3' B8' B12' 1.1(2) . . . . ?
C2' B3' B7' B8' -136.93(16) . . . . ?
C2' B3' B7' B11' -36.72(14) . . . . ?
C2' B3' B7' B12' -100.16(16) . . . . ?
C2' B6' B11' B7' 35.79(13) . . . . ?
C2' B6' B11' B10' 137.11(15) . . . . ?
C2' B6' B11' B12' 99.91(16) . . . . ?
C2' B6' B10' B5' 99.99(15) . . . . ?
C2' B6' B10' B9' 62.23(18) . . . . ?
C2' B6' B10' B11' -38.27(14) . . . . ?
C2' B6' B10' B12' -1.17(19) . . . . ?
C2' B7' B11' B6' -35.83(13) . . . . ?
C2' B7' B11' B10' -98.65(15) . . . . ?
C2' B7' B11' B12' -136.34(15) . . . . ?
C2' B7' B12' B9' -62.00(18) . . . . ?
C2' B7' B12' B8' -99.45(16) . . . . ?
C2' B7' B12' B11' 38.66(14) . . . . ?
C2' B7' B12' B10' 1.26(19) . . . . ?
C2' B11' B10' B5' 0.16(19) . . . . ?
C2' B11' B10' B6' 37.72(13) . . . . ?
C2' B11' B10' B9' -63.23(18) . . . . ?
C2' B11' B10' B12' -100.59(16) . . . . ?
C2' B11' B12' B9' 62.16(19) . . . . ?
C2' B11' B12' B8' -1.06(19) . . . . ?
C2' B11' B12' B7' -38.46(13) . . . . ?
C2' B11' B12' B10' 99.56(16) . . . . ?
B3' C1' C2' Ru1 -110.02(14) . . . . ?
B3' C1' C2' B6' 141.18(15) . . . . ?
B3' C1' C2' B7' 38.38(14) . . . . ?
B3' C1' C2' B11' 102.57(16) . . . . ?
B3' C1' B4' B5' -140.50(15) . . . . ?
B3' C1' B4' B9' -101.12(16) . . . . ?
B3' C1' B4' B8' -38.77(14) . . . . ?
B3' C1' B5' B4' 37.16(13) . . . . ?
B3' C1' B5' B6' -103.47(14) . . . . ?
B3' C1' B5' B9' -2.51(18) . . . . ?
B3' C1' B5' B10' -65.22(16) . . . . ?
B3' C1' B6' C2' -36.14(13) . . . . ?
B3' C1' B6' B5' 104.63(14) . . . . ?
B3' C1' B6' B11' 1.76(17) . . . . ?
B3' C1' B6' B10' 65.60(16) . . . . ?
B3' C2' B6' C1' 35.46(13) . . . . ?
B3' C2' B6' B5' 0.9(2) . . . . ?
B3' C2' B6' B11' -101.55(17) . . . . ?
B3' C2' B6' B10' -62.75(19) . . . . ?
B3' C2' B7' B8' 37.67(14) . . . . ?
B3' C2' B7' B11' 138.96(15) . . . . ?
B3' C2' B7' B12' 100.18(15) . . . . ?
B3' C2' B11' B6' 102.49(15) . . . . ?
B3' C2' B11' B7' -37.27(13) . . . . ?
B3' C2' B11' B10' 64.85(18) . . . . ?
B3' C2' B11' B12' 1.80(19) . . . . ?
B3' B4' B5' C1' -35.20(13) . . . . ?
B3' B4' B5' B6' -0.54(19) . . . . ?
B3' B4' B5' B9' 99.78(16) . . . . ?
B3' B4' B5' B10' 61.90(18) . . . . ?
B3' B4' B9' B5' -101.15(14) . . . . ?
B3' B4' B9' B8' 36.96(13) . . . . ?
B3' B4' B9' B10' -63.61(18) . . . . ?
B3' B4' B9' B12' -0.31(19) . . . . ?
B3' B4' B8' B9' -137.97(15) . . . . ?
B3' B4' B8' B7' -36.69(14) . . . . ?
B3' B4' B8' B12' -100.40(15) . . . . ?
B3' B8' B7' C2' -38.01(14) . . . . ?
B3' B8' B7' B11' -100.98(15) . . . . ?
B3' B8' B7' B12' -138.43(15) . . . . ?
B3' B8' B12' B9' -101.20(16) . . . . ?
B3' B8' B12' B7' 36.86(14) . . . . ?
B3' B8' B12' B11' 0.0(2) . . . . ?
B3' B8' B12' B10' -63.40(18) . . . . ?
B3' B7' B11' C2' 36.69(13) . . . . ?
B3' B7' B11' B6' 0.87(18) . . . . ?
B3' B7' B11' B10' -61.96(18) . . . . ?
B3' B7' B11' B12' -99.65(15) . . . . ?
B3' B7' B12' B9' 0.89(19) . . . . ?
B3' B7' B12' B8' -36.56(13) . . . . ?
B3' B7' B12' B11' 101.55(15) . . . . ?
B3' B7' B12' B10' 64.15(18) . . . . ?
B4' C1' C2' Ru1 -146.13(12) . . . . ?
B4' C1' C2' B3' -36.11(15) . . . . ?
B4' C1' C2' B6' 105.07(15) . . . . ?
B4' C1' C2' B7' 2.3(2) . . . . ?
B4' C1' C2' B11' 66.46(18) . . . . ?
B4' C1' B3' C2' 141.51(16) . . . . ?
B4' C1' B3' B8' 39.72(14) . . . . ?
B4' C1' B3' B7' 104.04(15) . . . . ?
B4' C1' B5' B6' -140.63(14) . . . . ?
B4' C1' B5' B9' -39.67(14) . . . . ?
B4' C1' B5' B10' -102.37(15) . . . . ?
B4' C1' B6' C2' -103.21(15) . . . . ?
B4' C1' B6' B5' 37.56(14) . . . . ?
B4' C1' B6' B11' -65.31(17) . . . . ?
B4' C1' B6' B10' -1.47(18) . . . . ?
B4' B3' B8' B9' 37.76(14) . . . . ?
B4' B3' B8' B7' 138.64(16) . . . . ?
B4' B3' B8' B12' 101.41(17) . . . . ?
B4' B3' B7' C2' 99.06(15) . . . . ?
B4' B3' B7' B8' -37.87(14) . . . . ?
B4' B3' B7' B11' 62.34(17) . . . . ?
B4' B3' B7' B12' -1.10(18) . . . . ?
B4' B5' B6' C1' -34.70(13) . . . . ?
B4' B5' B6' C2' -0.24(19) . . . . ?
B4' B5' B6' B11' 63.12(18) . . . . ?
B4' B5' B6' B10' 101.18(16) . . . . ?
B4' B5' B9' B8' -37.26(14) . . . . ?
B4' B5' B9' B10' -137.76(15) . . . . ?
B4' B5' B9' B12' -100.50(17) . . . . ?
B4' B5' B10' B6' -99.81(15) . . . . ?
B4' B5' B10' B9' 37.94(13) . . . . ?
B4' B5' B10' B11' -62.62(17) . . . . ?
B4' B5' B10' B12' 0.66(18) . . . . ?
B4' B9' B8' B3' -37.66(13) . . . . ?
B4' B9' B8' B7' -100.55(15) . . . . ?
B4' B9' B8' B12' -138.19(15) . . . . ?
B4' B9' B10' B5' -37.51(14) . . . . ?
B4' B9' B10' B6' 0.5(2) . . . . ?
B4' B9' B10' B11' 63.53(18) . . . . ?
B4' B9' B10' B12' 100.82(16) . . . . ?
B4' B9' B12' B8' 37.23(14) . . . . ?
B4' B9' B12' B7' -0.35(19) . . . . ?
B4' B9' B12' B11' -62.86(19) . . . . ?
B4' B9' B12' B10' -100.31(15) . . . . ?
B4' B8' B7' C2' -1.0(2) . . . . ?
B4' B8' B7' B3' 37.00(15) . . . . ?
B4' B8' B7' B11' -63.98(19) . . . . ?
B4' B8' B7' B12' -101.43(17) . . . . ?
B4' B8' B12' B9' -37.62(14) . . . . ?
B4' B8' B12' B7' 100.45(15) . . . . ?
B4' B8' B12' B11' 63.54(18) . . . . ?
B4' B8' B12' B10' 0.19(19) . . . . ?
B5' C1' C2' Ru1 146.09(12) . . . . ?
B5' C1' C2' B3' -103.90(15) . . . . ?
B5' C1' C2' B6' 37.28(14) . . . . ?
B5' C1' C2' B7' -65.52(18) . . . . ?
B5' C1' C2' B11' -1.33(19) . . . . ?
B5' C1' B3' C2' 104.07(15) . . . . ?
B5' C1' B3' B4' -37.44(14) . . . . ?
B5' C1' B3' B8' 2.28(17) . . . . ?
B5' C1' B3' B7' 66.59(16) . . . . ?
B5' C1' B4' B3' 140.50(15) . . . . ?
B5' C1' B4' B9' 39.39(13) . . . . ?
B5' C1' B4' B8' 101.74(16) . . . . ?
B5' C1' B6' C2' -140.77(15) . . . . ?
B5' C1' B6' B11' -102.87(15) . . . . ?
B5' C1' B6' B10' -39.03(13) . . . . ?
B5' B4' B9' B8' 138.11(14) . . . . ?
B5' B4' B9' B10' 37.54(14) . . . . ?
B5' B4' B9' B12' 100.84(15) . . . . ?
B5' B4' B8' B3' 100.62(15) . . . . ?
B5' B4' B8' B9' -37.35(13) . . . . ?
B5' B4' B8' B7' 63.93(19) . . . . ?
B5' B4' B8' B12' 0.22(19) . . . . ?
B5' B6' B11' C2' -99.35(15) . . . . ?
B5' B6' B11' B7' -63.56(18) . . . . ?
B5' B6' B11' B10' 37.76(14) . . . . ?
B5' B6' B11' B12' 0.6(2) . . . . ?
B5' B6' B10' B9' -37.77(14) . . . . ?
B5' B6' B10' B11' -138.27(15) . . . . ?
B5' B6' B10' B12' -101.16(16) . . . . ?
B5' B9' B8' B3' -0.4(2) . . . . ?
B5' B9' B8' B4' 37.25(13) . . . . ?
B5' B9' B8' B7' -63.30(19) . . . . ?
B5' B9' B8' B12' -100.94(16) . . . . ?
B5' B9' B10' B6' 38.01(14) . . . . ?
B5' B9' B10' B11' 101.04(15) . . . . ?
B5' B9' B10' B12' 138.32(16) . . . . ?
B5' B9' B12' B8' 100.36(17) . . . . ?
B5' B9' B12' B7' 62.78(19) . . . . ?
B5' B9' B12' B11' 0.3(2) . . . . ?
B5' B9' B12' B10' -37.18(14) . . . . ?
B5' B10' B12' B9' 37.25(14) . . . . ?
B5' B10' B12' B8' -0.52(19) . . . . ?
B5' B10' B12' B7' -63.96(18) . . . . ?
B5' B10' B12' B11' -100.92(15) . . . . ?
B6' C1' C2' Ru1 108.80(13) . . . . ?
B6' C1' C2' B3' -141.18(15) . . . . ?
B6' C1' C2' B7' -102.80(17) . . . . ?
B6' C1' C2' B11' -38.61(13) . . . . ?
B6' C1' B3' C2' 36.25(14) . . . . ?
B6' C1' B3' B4' -105.27(15) . . . . ?
B6' C1' B3' B8' -65.55(16) . . . . ?
B6' C1' B3' B7' -1.23(17) . . . . ?
B6' C1' B4' B3' 102.88(15) . . . . ?
B6' C1' B4' B5' -37.62(14) . . . . ?
B6' C1' B4' B9' 1.77(18) . . . . ?
B6' C1' B4' B8' 64.12(18) . . . . ?
B6' C1' B5' B4' 140.63(14) . . . . ?
B6' C1' B5' B9' 100.96(15) . . . . ?
B6' C1' B5' B10' 38.26(13) . . . . ?
B6' C2' B3' C1' -35.25(13) . . . . ?
B6' C2' B3' B4' -1.3(2) . . . . ?
B6' C2' B3' B8' 62.93(19) . . . . ?
B6' C2' B3' B7' 102.12(17) . . . . ?
B6' C2' B7' B3' -102.20(15) . . . . ?
B6' C2' B7' B8' -64.53(19) . . . . ?
B6' C2' B7' B11' 36.76(14) . . . . ?
B6' C2' B7' B12' -2.02(19) . . . . ?
B6' C2' B11' B7' -139.75(14) . . . . ?
B6' C2' B11' B10' -37.64(13) . . . . ?
B6' C2' B11' B12' -100.69(15) . . . . ?
B6' B5' B9' B4' 100.57(15) . . . . ?
B6' B5' B9' B8' 63.30(18) . . . . ?
B6' B5' B9' B10' -37.19(14) . . . . ?
B6' B5' B9' B12' 0.1(2) . . . . ?
B6' B5' B10' B9' 137.74(15) . . . . ?
B6' B5' B10' B11' 37.18(14) . . . . ?
B6' B5' B10' B12' 100.47(15) . . . . ?
B6' B11' B10' B5' -37.56(13) . . . . ?
B6' B11' B10' B9' -100.95(16) . . . . ?
B6' B11' B10' B12' -138.31(16) . . . . ?
B6' B11' B12' B9' -0.5(2) . . . . ?
B6' B11' B12' B8' -63.73(18) . . . . ?
B6' B11' B12' B7' -101.13(16) . . . . ?
B6' B11' B12' B10' 36.88(14) . . . . ?
B6' B10' B12' B9' 101.15(16) . . . . ?
B6' B10' B12' B8' 63.37(18) . . . . ?
B6' B10' B12' B7' -0.06(19) . . . . ?
B6' B10' B12' B11' -37.02(14) . . . . ?
B9' B4' B5' C1' -134.98(14) . . . . ?
B9' B4' B5' B6' -100.32(15) . . . . ?
B9' B4' B5' B10' -37.88(13) . . . . ?
B9' B4' B8' B3' 137.97(15) . . . . ?
B9' B4' B8' B7' 101.28(16) . . . . ?
B9' B4' B8' B12' 37.57(14) . . . . ?
B9' B5' B6' C1' -98.22(15) . . . . ?
B9' B5' B6' C2' -63.75(18) . . . . ?
B9' B5' B6' B11' -0.4(2) . . . . ?
B9' B5' B6' B10' 37.67(14) . . . . ?
B9' B5' B10' B6' -137.74(15) . . . . ?
B9' B5' B10' B11' -100.56(16) . . . . ?
B9' B5' B10' B12' -37.28(14) . . . . ?
B9' B8' B7' C2' 62.78(19) . . . . ?
B9' B8' B7' B3' 100.78(16) . . . . ?
B9' B8' B7' B11' -0.2(2) . . . . ?
B9' B8' B7' B12' -37.64(14) . . . . ?
B9' B8' B12' B7' 138.07(15) . . . . ?
B9' B8' B12' B11' 101.15(15) . . . . ?
B9' B8' B12' B10' 37.80(14) . . . . ?
B9' B10' B12' B8' -37.77(14) . . . . ?
B9' B10' B12' B7' -101.21(17) . . . . ?
B9' B10' B12' B11' -138.17(16) . . . . ?
B8' B3' B4' C1' -135.32(15) . . . . ?
B8' B3' B4' B5' -100.43(16) . . . . ?
B8' B3' B4' B9' -37.30(14) . . . . ?
B8' B3' B7' C2' 136.93(16) . . . . ?
B8' B3' B7' B11' 100.21(16) . . . . ?
B8' B3' B7' B12' 36.77(14) . . . . ?
B8' B4' B5' C1' -97.64(14) . . . . ?
B8' B4' B5' B6' -62.98(17) . . . . ?
B8' B4' B5' B9' 37.34(13) . . . . ?
B8' B4' B5' B10' -0.54(18) . . . . ?
B8' B4' B9' B5' -138.11(14) . . . . ?
B8' B4' B9' B10' -100.57(15) . . . . ?
B8' B4' B9' B12' -37.27(14) . . . . ?
B8' B9' B10' B5' -100.55(16) . . . . ?
B8' B9' B10' B6' -62.54(19) . . . . ?
B8' B9' B10' B11' 0.5(2) . . . . ?
B8' B9' B10' B12' 37.78(15) . . . . ?
B8' B9' B12' B7' -37.58(14) . . . . ?
B8' B9' B12' B11' -100.09(17) . . . . ?
B8' B9' B12' B10' -137.54(15) . . . . ?
B8' B7' B11' C2' 99.15(15) . . . . ?
B8' B7' B11' B6' 63.33(18) . . . . ?
B8' B7' B11' B10' 0.50(19) . . . . ?
B8' B7' B11' B12' -37.19(14) . . . . ?
B8' B7' B12' B9' 37.45(14) . . . . ?
B8' B7' B12' B11' 138.11(15) . . . . ?
B8' B7' B12' B10' 100.71(17) . . . . ?
B7' C2' B3' C1' -137.37(15) . . . . ?
B7' C2' B3' B4' -103.41(16) . . . . ?
B7' C2' B3' B8' -39.20(14) . . . . ?
B7' C2' B6' C1' 100.22(15) . . . . ?
B7' C2' B6' B5' 65.70(18) . . . . ?
B7' C2' B6' B11' -36.79(14) . . . . ?
B7' C2' B6' B10' 2.01(19) . . . . ?
B7' C2' B11' B6' 139.75(14) . . . . ?
B7' C2' B11' B10' 102.11(15) . . . . ?
B7' C2' B11' B12' 39.06(14) . . . . ?
B7' B3' B4' C1' -97.14(15) . . . . ?
B7' B3' B4' B5' -62.25(18) . . . . ?
B7' B3' B4' B9' 0.88(18) . . . . ?
B7' B3' B4' B8' 38.18(14) . . . . ?
B7' B3' B8' B4' -138.64(16) . . . . ?
B7' B3' B8' B9' -100.88(16) . . . . ?
B7' B3' B8' B12' -37.22(14) . . . . ?
B7' B8' B12' B9' -138.07(15) . . . . ?
B7' B8' B12' B11' -36.91(14) . . . . ?
B7' B8' B12' B10' -100.26(15) . . . . ?
B7' B11' B10' B5' 62.76(18) . . . . ?
B7' B11' B10' B6' 100.33(16) . . . . ?
B7' B11' B10' B9' -0.62(19) . . . . ?
B7' B11' B10' B12' -37.99(15) . . . . ?
B7' B11' B12' B9' 100.62(17) . . . . ?
B7' B11' B12' B8' 37.40(14) . . . . ?
B7' B11' B12' B10' 138.01(15) . . . . ?
B11' C2' B3' C1' -100.02(15) . . . . ?
B11' C2' B3' B4' -66.06(18) . . . . ?
B11' C2' B3' B8' -1.85(19) . . . . ?
B11' C2' B3' B7' 37.35(14) . . . . ?
B11' C2' B6' C1' 137.01(14) . . . . ?
B11' C2' B6' B5' 102.49(15) . . . . ?
B11' C2' B6' B10' 38.80(14) . . . . ?
B11' C2' B7' B3' -138.96(15) . . . . ?
B11' C2' B7' B8' -101.29(16) . . . . ?
B11' C2' B7' B12' -38.78(14) . . . . ?
B11' B6' B10' B5' 138.27(15) . . . . ?
B11' B6' B10' B9' 100.50(16) . . . . ?
B11' B6' B10' B12' 37.11(14) . . . . ?
B11' B7' B12' B9' -100.66(15) . . . . ?
B11' B7' B12' B8' -138.11(15) . . . . ?
B11' B7' B12' B10' -37.40(14) . . . . ?
B11' B10' B12' B9' 138.17(16) . . . . ?
B11' B10' B12' B8' 100.39(16) . . . . ?
B11' B10' B12' B7' 36.96(14) . . . . ?
B10' B5' B6' C1' -135.89(15) . . . . ?
B10' B5' B6' C2' -101.42(16) . . . . ?
B10' B5' B6' B11' -38.06(14) . . . . ?
B10' B5' B9' B4' 137.76(15) . . . . ?
B10' B5' B9' B8' 100.50(16) . . . . ?
B10' B5' B9' B12' 37.26(15) . . . . ?
B10' B6' B11' C2' -137.11(15) . . . . ?
B10' B6' B11' B7' -101.33(15) . . . . ?
B10' B6' B11' B12' -37.20(15) . . . . ?
B10' B9' B8' B3' 62.69(19) . . . . ?
B10' B9' B8' B4' 100.36(15) . . . . ?
B10' B9' B8' B7' -0.2(2) . . . . ?
B10' B9' B8' B12' -37.84(14) . . . . ?
B10' B9' B12' B8' 137.54(15) . . . . ?
B10' B9' B12' B7' 99.96(15) . . . . ?
B10' B9' B12' B11' 37.46(14) . . . . ?
B10' B11' B12' B9' -37.39(15) . . . . ?
B10' B11' B12' B8' -100.62(16) . . . . ?
B10' B11' B12' B7' -138.01(15) . . . . ?
B12' B9' B8' B3' 100.53(16) . . . . ?
B12' B9' B8' B4' 138.19(15) . . . . ?
B12' B9' B8' B7' 37.65(14) . . . . ?
B12' B9' B10' B5' -138.32(16) . . . . ?
B12' B9' B10' B6' -100.32(16) . . . . ?
B12' B9' B10' B11' -37.28(14) . . . . ?
B12' B8' B7' C2' 100.42(16) . . . . ?
B12' B8' B7' B3' 138.43(15) . . . . ?
B12' B8' B7' B11' 37.45(14) . . . . ?
B12' B7' B11' C2' 136.34(15) . . . . ?
B12' B7' B11' B6' 100.52(15) . . . . ?
B12' B7' B11' B10' 37.69(14) . . . . ?
B12' B11' B10' B5' 100.75(16) . . . . ?
B12' B11' B10' B6' 138.31(16) . . . . ?
B12' B11' B10' B9' 37.36(15) . . . . ?
C102 C103 C104 Ru1 59.90(13) . . . . ?
C102 C103 C104 C105 4.5(2) . . . . ?
C103 C102 C107 Ru1 -54.99(12) . . . . ?
C103 C102 C107 C106 0.6(2) . . . . ?
C103 C102 C109 C110 31.8(2) . . . . ?
C103 C102 C109 C111 -92.1(2) . . . . ?
C103 C104 C105 Ru1 52.77(14) . . . . ?
C103 C104 C105 C106 1.5(2) . . . . ?
C103 C104 C105 C108 -175.46(15) . . . . ?
C104 C105 C106 Ru1 52.62(13) . . . . ?
C104 C105 C106 C107 -6.4(3) . . . . ?
C105 C106 C107 Ru1 61.20(16) . . . . ?
C105 C106 C107 C102 5.5(3) . . . . ?
C107 C102 C103 Ru1 55.20(12) . . . . ?
C107 C102 C103 C104 -5.5(2) . . . . ?
C107 C102 C109 C110 -149.45(16) . . . . ?
C107 C102 C109 C111 86.60(19) . . . . ?
C108 C105 C106 Ru1 -130.46(15) . . . . ?
C108 C105 C106 C107 170.52(17) . . . . ?
C109 C102 C103 Ru1 -126.04(14) . . . . ?
C109 C102 C103 C104 173.27(15) . . . . ?
C109 C102 C107 Ru1 126.21(14) . . . . ?
C109 C102 C107 C106 -178.20(16) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5186
_database_code_depnum_ccdc_archive 'CCDC 1418092'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H50 B20 P2 Ru'
_chemical_formula_sum            'C40 H50 B20 P2 Ru'
_chemical_formula_weight         910.01
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2062(9)
_cell_length_b                   11.5418(10)
_cell_length_c                   17.9159(17)
_cell_angle_alpha                81.178(5)
_cell_angle_beta                 80.736(5)
_cell_angle_gamma                85.546(5)
_cell_volume                     2256.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6067
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.629
_cell_measurement_theta_min      2.328
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.847
_exptl_absorpt_coefficient_mu    0.451
_exptl_absorpt_correction_T_max  0.9902
_exptl_absorpt_correction_T_min  0.8931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0742 before and 0.0638 after correction.
The Ratio of minimum to maximum transmission is 0.9019.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_av_unetI/netI     0.0860
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39226
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.776
_diffrn_reflns_theta_min         1.164
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8961
_reflns_number_total             10414
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.754
_refine_diff_density_min         -1.310
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         10414
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.0927
_refine_ls_restrained_S_all      1.229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+11.4762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1597
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
2. Shared sites
{C2, B2}
{B3, C3}
3. Uiso/Uaniso restraints and constraints
Uanis(C3) = Uanis(B3)
Uanis(B2) = Uanis(C2)
4. Others
 Sof(Ru1A)=1-FVAR(1)
 Sof(Ru1)=FVAR(1)
 Sof(H2)=Sof(B2)=Sof(C3)=1-FVAR(2)
 Sof(C2)=Sof(B3)=Sof(H3)=FVAR(2)
 Fixed Uiso: H2(0.025)
5.a Everything fixed:
 H2
5.b Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126), C202(H202), C203(H203), C204(H204),
 C205(H205), C206(H206), C212(H212), C213(H213), C214(H214), C215(H215),
 C216(H216), C222(H222), C223(H223), C224(H224), C225(H225), C226(H226)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1' C -0.0964(4) -0.6364(4) -0.6422(3) 0.0141(10) Uani 1 1 d . . . . .
P1 P -0.37954(11) -0.73707(11) -0.77392(7) 0.0118(3) Uani 1 1 d . . . . .
Ru1 Ru -0.17989(5) -0.78058(4) -0.76232(4) 0.00704(17) Uani 0.803(2) 1 d . . P
A .
H2 H -0.2003 -0.6481 -0.7713 0.025 Uiso 0.1955 1 d . . P A 2
C2' C -0.2396(5) -0.5960(6) -0.6290(3) 0.0306(14) Uani 1 1 d . . . . .
H2' H -0.281(6) -0.537(5) -0.668(4) 0.037 Uiso 1 1 d R . . . .
P2 P -0.17083(11) -0.99458(11) -0.75491(7) 0.0140(3) Uani 1 1 d . . . . .
B3' B -0.2036(6) -0.7477(6) -0.6482(4) 0.0295(16) Uani 1 1 d . . . . .
B4' B -0.0763(6) -0.7772(6) -0.5968(4) 0.0278(15) Uani 1 1 d . . . . .
H4' H -0.005(5) -0.834(5) -0.615(3) 0.033 Uiso 1 1 d R . . . .
B5' B -0.0364(6) -0.6525(6) -0.5584(4) 0.0283(15) Uani 1 1 d . . . . .
H5' H 0.055(6) -0.639(5) -0.565(3) 0.034 Uiso 1 1 d R . . . .
B6' B -0.1430(7) -0.5323(6) -0.5813(4) 0.0301(16) Uani 1 1 d . . . . .
H6' H -0.116(5) -0.441(5) -0.604(3) 0.036 Uiso 1 1 d R . . . .
B7' B -0.3241(6) -0.7038(6) -0.5757(4) 0.0272(14) Uani 1 1 d . . . . .
H7' H -0.425(5) -0.696(5) -0.583(3) 0.033 Uiso 1 1 d R . . . .
B8' B -0.2227(6) -0.8179(5) -0.5502(3) 0.0208(13) Uani 1 1 d . . . . .
H8' H -0.251(5) -0.906(5) -0.537(3) 0.025 Uiso 1 1 d R . . . .
B9' B -0.1179(6) -0.7674(6) -0.4982(4) 0.0259(15) Uani 1 1 d . . . . .
H9' H -0.076(5) -0.828(5) -0.459(3) 0.031 Uiso 1 1 d R . . . .
B10' B -0.1626(7) -0.6146(7) -0.4888(4) 0.0371(19) Uani 1 1 d . . . . .
H10' H -0.150(6) -0.569(6) -0.444(4) 0.044 Uiso 1 1 d R . . . .
B11' B -0.2918(7) -0.5772(6) -0.5369(4) 0.0316(16) Uani 1 1 d . . . . .
H11' H -0.364(6) -0.510(5) -0.529(4) 0.038 Uiso 1 1 d R . . . .
B12' B -0.2730(6) -0.7199(6) -0.4826(4) 0.0264(14) Uani 1 1 d . . . . .
H12' H -0.328(5) -0.743(5) -0.428(3) 0.032 Uiso 1 1 d R . . . .
C101 C -0.4987(4) -0.8342(4) -0.7220(3) 0.0131(9) Uani 1 1 d . . . . .
C102 C -0.4785(5) -0.9048(4) -0.6534(3) 0.0177(10) Uani 1 1 d . . . . .
H102 H -0.4039 -0.9029 -0.6350 0.021 Uiso 1 1 calc R . . . .
C103 C -0.5684(5) -0.9784(5) -0.6117(3) 0.0227(12) Uani 1 1 d . . . . .
H103 H -0.5544 -1.0254 -0.5652 0.027 Uiso 1 1 calc R . . . .
C104 C -0.6776(5) -0.9823(4) -0.6388(3) 0.0215(12) Uani 1 1 d . . . . .
H104 H -0.7385 -1.0313 -0.6104 0.026 Uiso 1 1 calc R . . . .
C105 C -0.6977(5) -0.9143(4) -0.7074(3) 0.0206(11) Uani 1 1 d . . . . .
H105 H -0.7719 -0.9177 -0.7260 0.025 Uiso 1 1 calc R . . . .
C106 C -0.6088(5) -0.8410(5) -0.7489(3) 0.0223(12) Uani 1 1 d . . . . .
H106 H -0.6230 -0.7954 -0.7958 0.027 Uiso 1 1 calc R . . . .
C111 C -0.4454(4) -0.5899(4) -0.7538(3) 0.0132(10) Uani 1 1 d . . . . .
C112 C -0.3948(5) -0.4887(4) -0.8001(3) 0.0226(12) Uani 1 1 d . . . . .
H112 H -0.3304 -0.4974 -0.8407 0.027 Uiso 1 1 calc R . . . .
C113 C -0.4400(5) -0.3767(4) -0.7859(3) 0.0216(12) Uani 1 1 d . . . . .
H113 H -0.4053 -0.3096 -0.8167 0.026 Uiso 1 1 calc R . . . .
C114 C -0.5344(5) -0.3620(5) -0.7276(3) 0.0205(11) Uani 1 1 d . . . . .
H114 H -0.5639 -0.2853 -0.7183 0.025 Uiso 1 1 calc R . . . .
C115 C -0.5866(5) -0.4608(5) -0.6820(3) 0.0232(12) Uani 1 1 d . . . . .
H115 H -0.6518 -0.4512 -0.6420 0.028 Uiso 1 1 calc R . . . .
C116 C -0.5420(5) -0.5735(5) -0.6958(3) 0.0200(11) Uani 1 1 d . . . . .
H116 H -0.5781 -0.6401 -0.6652 0.024 Uiso 1 1 calc R . . . .
C121 C -0.3906(4) -0.7234(4) -0.8770(3) 0.0152(10) Uani 1 1 d . . . . .
C122 C -0.4884(5) -0.6627(4) -0.9092(3) 0.0190(11) Uani 1 1 d . . . . .
H122 H -0.5537 -0.6290 -0.8773 0.023 Uiso 1 1 calc R . . . .
C123 C -0.4901(5) -0.6517(5) -0.9885(3) 0.0248(13) Uani 1 1 d . . . . .
H123 H -0.5577 -0.6131 -1.0095 0.030 Uiso 1 1 calc R . . . .
C124 C -0.3935(6) -0.6971(5) -1.0360(3) 0.0285(14) Uani 1 1 d . . . . .
H124 H -0.3950 -0.6891 -1.0894 0.034 Uiso 1 1 calc R . . . .
C125 C -0.2929(5) -0.7551(5) -1.0053(3) 0.0257(12) Uani 1 1 d . . . . .
H125 H -0.2256 -0.7848 -1.0377 0.031 Uiso 1 1 calc R . . . .
C126 C -0.2938(5) -0.7682(4) -0.9262(3) 0.0181(11) Uani 1 1 d . . . . .
H126 H -0.2269 -0.8085 -0.9053 0.022 Uiso 1 1 calc R . . . .
C201 C -0.2288(4) -1.0964(4) -0.6686(3) 0.0145(10) Uani 1 1 d . . . . .
C202 C -0.3192(5) -1.1748(4) -0.6663(3) 0.0182(11) Uani 1 1 d . . . . .
H202 H -0.3525 -1.1791 -0.7112 0.022 Uiso 1 1 calc R . . . .
C203 C -0.3608(5) -1.2472(5) -0.5980(3) 0.0244(12) Uani 1 1 d . . . . .
H203 H -0.4226 -1.2995 -0.5970 0.029 Uiso 1 1 calc R . . . .
C204 C -0.3119(5) -1.2426(5) -0.5319(3) 0.0249(12) Uani 1 1 d . . . . .
H204 H -0.3413 -1.2909 -0.4857 0.030 Uiso 1 1 calc R . . . .
C205 C -0.2202(5) -1.1674(5) -0.5335(3) 0.0227(12) Uani 1 1 d . . . . .
H205 H -0.1851 -1.1658 -0.4888 0.027 Uiso 1 1 calc R . . . .
C206 C -0.1794(5) -1.0935(4) -0.6014(3) 0.0180(10) Uani 1 1 d . . . . .
H206 H -0.1179 -1.0411 -0.6020 0.022 Uiso 1 1 calc R . . . .
C211 C -0.0089(4) -1.0474(4) -0.7732(3) 0.0154(10) Uani 1 1 d . . . . .
C212 C 0.0658(5) -0.9899(4) -0.8379(3) 0.0203(11) Uani 1 1 d . . . . .
H212 H 0.0332 -0.9245 -0.8687 0.024 Uiso 1 1 calc R . . . .
C213 C 0.1868(5) -1.0286(5) -0.8567(3) 0.0243(12) Uani 1 1 d . . . . .
H213 H 0.2349 -0.9905 -0.9009 0.029 Uiso 1 1 calc R . . . .
C214 C 0.2372(5) -1.1225(5) -0.8114(3) 0.0231(12) Uani 1 1 d . . . . .
H214 H 0.3201 -1.1468 -0.8236 0.028 Uiso 1 1 calc R . . . .
C215 C 0.1653(5) -1.1810(4) -0.7475(3) 0.0194(11) Uani 1 1 d . . . . .
H215 H 0.1992 -1.2455 -0.7166 0.023 Uiso 1 1 calc R . . . .
C216 C 0.0418(4) -1.1437(4) -0.7291(3) 0.0163(10) Uani 1 1 d . . . . .
H216 H -0.0070 -1.1846 -0.6864 0.020 Uiso 1 1 calc R . . . .
C221 C -0.2315(5) -1.0527(4) -0.8325(3) 0.0156(10) Uani 1 1 d . . . . .
C222 C -0.3535(5) -1.0275(4) -0.8422(3) 0.0204(11) Uani 1 1 d . . . . .
H222 H -0.4045 -0.9820 -0.8087 0.024 Uiso 1 1 calc R . . . .
C223 C -0.4014(5) -1.0682(5) -0.9006(3) 0.0247(12) Uani 1 1 d . . . . .
H223 H -0.4839 -1.0504 -0.9063 0.030 Uiso 1 1 calc R . . . .
C224 C -0.3272(6) -1.1351(5) -0.9503(3) 0.0279(13) Uani 1 1 d . . . . .
H224 H -0.3589 -1.1616 -0.9904 0.033 Uiso 1 1 calc R . . . .
C225 C -0.2073(6) -1.1626(6) -0.9411(3) 0.0345(15) Uani 1 1 d . . . . .
H225 H -0.1576 -1.2091 -0.9745 0.041 Uiso 1 1 calc R . . . .
C226 C -0.1584(5) -1.1223(5) -0.8827(3) 0.0274(13) Uani 1 1 d . . . . .
H226 H -0.0761 -1.1418 -0.8770 0.033 Uiso 1 1 calc R . . . .
C1 C -0.0274(5) -0.5979(5) -0.7218(3) 0.0191(11) Uani 1 1 d . . . . .
B2 B -0.1019(5) -0.6140(6) -0.7945(3) 0.0266(14) Uani 0.20(5) 1 d . . P A .
C2 C -0.1019(5) -0.6140(6) -0.7945(3) 0.0266(14) Uani 0.80(5) 1 d . . P A 1
B3 B 0.0204(6) -0.7078(6) -0.7770(4) 0.0280(16) Uani 0.80(5) 1 d . . P A 1
H3 H -0.032(7) -0.803(6) -0.743(4) 0.034 Uiso 0.80(5) 1 d R . P A 1
C3 C 0.0204(6) -0.7078(6) -0.7770(4) 0.0280(16) Uani 0.20(5) 1 d . . P A 2
B4 B 0.1284(6) -0.6330(7) -0.7434(4) 0.0295(15) Uani 1 1 d . . . . .
H4 H 0.180(5) -0.677(5) -0.693(3) 0.035 Uiso 1 1 d R . . . .
B5 B 0.0681(6) -0.4848(6) -0.7426(4) 0.0269(14) Uani 1 1 d . . . . .
H5 H 0.087(5) -0.439(5) -0.693(3) 0.032 Uiso 1 1 d R . . . .
B6 B -0.0792(7) -0.4730(6) -0.7740(4) 0.0318(17) Uani 1 1 d . . . . .
H6 H -0.154(6) -0.428(5) -0.745(4) 0.038 Uiso 1 1 d R . . . .
B7 B 0.0054(6) -0.6504(6) -0.8722(4) 0.0248(14) Uani 1 1 d . . . . .
H7 H -0.020(5) -0.709(5) -0.904(3) 0.030 Uiso 1 1 d R . . . .
B8 B 0.1477(6) -0.6604(6) -0.8416(4) 0.0262(14) Uani 1 1 d . . . . .
H8 H 0.227(5) -0.726(5) -0.864(3) 0.031 Uiso 1 1 d R . . . .
B9 B 0.1786(7) -0.5201(6) -0.8212(4) 0.0293(15) Uani 1 1 d . . . . .
H9 H 0.279(5) -0.484(5) -0.826(3) 0.035 Uiso 1 1 d R . . . .
B10 B 0.0536(7) -0.4224(6) -0.8389(4) 0.0291(16) Uani 1 1 d . . . . .
H10 H 0.058(5) -0.327(5) -0.856(3) 0.035 Uiso 1 1 d R . . . .
B11 B -0.0597(6) -0.5014(7) -0.8695(4) 0.0297(15) Uani 1 1 d . . . . .
H11 H -0.121(6) -0.450(5) -0.902(4) 0.036 Uiso 1 1 d R . . . .
B12 B 0.0972(7) -0.5299(6) -0.9002(4) 0.0323(16) Uani 1 1 d . . . . .
H12 H 0.129(6) -0.505(5) -0.959(4) 0.039 Uiso 1 1 d R . . . .
Ru1A Ru -0.2170(2) -0.80711(19) -0.71618(17) 0.0145(8) Uani 0.197(2) 1 d . . P
A -2


_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' 1.625(8) . ?
C1' B3' 1.852(8) . ?
C1' B4' 1.718(8) . ?
C1' B5' 1.721(8) . ?
C1' B6' 1.740(8) . ?
C1' C1 1.526(7) . ?
P1 Ru1 2.2900(13) . ?
P1 C101 1.849(5) . ?
P1 C111 1.862(5) . ?
P1 C121 1.852(5) . ?
P1 Ru1A 2.272(2) . ?
Ru1 H2 1.5157 . ?
Ru1 P2 2.4481(13) . ?
Ru1 B3' 2.108(7) . ?
Ru1 B2 2.133(6) . ?
Ru1 B3 2.419(7) . ?
Ru1 H3 1.74(7) . ?
Ru1 C3 2.419(7) . ?
Ru1 Ru1A 0.884(3) . ?
C2' H2' 1.03(6) . ?
C2' B3' 1.836(10) . ?
C2' B6' 1.749(10) . ?
C2' B7' 1.698(9) . ?
C2' B11' 1.701(9) . ?
P2 C201 1.853(5) . ?
P2 C211 1.863(5) . ?
P2 C221 1.872(5) . ?
P2 Ru1A 2.367(2) . ?
B3' B4' 1.803(10) . ?
B3' B7' 1.815(10) . ?
B3' B8' 1.805(8) . ?
B3' Ru1A 1.520(7) . ?
B4' H4' 1.04(6) . ?
B4' B5' 1.801(10) . ?
B4' B8' 1.780(9) . ?
B4' B9' 1.771(10) . ?
B5' H5' 1.04(6) . ?
B5' B6' 1.802(11) . ?
B5' B9' 1.785(9) . ?
B5' B10' 1.803(11) . ?
B6' H6' 1.11(6) . ?
B6' B10' 1.769(10) . ?
B6' B11' 1.806(10) . ?
B7' H7' 1.16(6) . ?
B7' B8' 1.728(10) . ?
B7' B11' 1.796(10) . ?
B7' B12' 1.828(10) . ?
B8' H8' 1.06(5) . ?
B8' B9' 1.793(9) . ?
B8' B12' 1.778(9) . ?
B9' H9' 1.05(6) . ?
B9' B10' 1.821(11) . ?
B9' B12' 1.773(10) . ?
B10' H10' 1.06(7) . ?
B10' B11' 1.793(12) . ?
B10' B12' 1.781(9) . ?
B11' H11' 1.09(6) . ?
B11' B12' 1.796(10) . ?
B12' H12' 1.08(6) . ?
C101 C102 1.408(7) . ?
C101 C106 1.406(7) . ?
C102 H102 0.9500 . ?
C102 C103 1.410(7) . ?
C103 H103 0.9500 . ?
C103 C104 1.394(7) . ?
C104 H104 0.9500 . ?
C104 C105 1.394(7) . ?
C105 H105 0.9500 . ?
C105 C106 1.400(7) . ?
C106 H106 0.9500 . ?
C111 C112 1.424(7) . ?
C111 C116 1.396(7) . ?
C112 H112 0.9500 . ?
C112 C113 1.397(7) . ?
C113 H113 0.9500 . ?
C113 C114 1.381(8) . ?
C114 H114 0.9500 . ?
C114 C115 1.404(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.401(7) . ?
C116 H116 0.9500 . ?
C121 C122 1.410(7) . ?
C121 C126 1.402(7) . ?
C122 H122 0.9500 . ?
C122 C123 1.410(7) . ?
C123 H123 0.9500 . ?
C123 C124 1.386(8) . ?
C124 H124 0.9500 . ?
C124 C125 1.412(8) . ?
C125 H125 0.9500 . ?
C125 C126 1.400(7) . ?
C126 H126 0.9500 . ?
C201 C202 1.402(7) . ?
C201 C206 1.408(7) . ?
C202 H202 0.9500 . ?
C202 C203 1.405(7) . ?
C203 H203 0.9500 . ?
C203 C204 1.392(8) . ?
C204 H204 0.9500 . ?
C204 C205 1.390(7) . ?
C205 H205 0.9500 . ?
C205 C206 1.407(7) . ?
C206 H206 0.9500 . ?
C211 C212 1.423(7) . ?
C211 C216 1.400(7) . ?
C212 H212 0.9500 . ?
C212 C213 1.398(7) . ?
C213 H213 0.9500 . ?
C213 C214 1.391(8) . ?
C214 H214 0.9500 . ?
C214 C215 1.402(7) . ?
C215 H215 0.9500 . ?
C215 C216 1.419(7) . ?
C216 H216 0.9500 . ?
C221 C222 1.410(7) . ?
C221 C226 1.417(7) . ?
C222 H222 0.9500 . ?
C222 C223 1.404(7) . ?
C223 H223 0.9500 . ?
C223 C224 1.397(8) . ?
C224 H224 0.9500 . ?
C224 C225 1.386(9) . ?
C225 H225 0.9500 . ?
C225 C226 1.409(8) . ?
C226 H226 0.9500 . ?
C1 B2 1.696(7) . ?
C1 B3 1.727(8) . ?
C1 C3 1.727(8) . ?
C1 B4 1.756(9) . ?
C1 B5 1.712(8) . ?
C1 B6 1.710(8) . ?
B2 H2 1.1885 . ?
B2 B3 1.718(9) . ?
B2 C3 1.718(9) . ?
B2 B6 1.769(10) . ?
B2 B7 1.766(9) . ?
B2 B11 1.753(9) . ?
B3 H3 1.30(7) . ?
B3 B4 1.768(10) . ?
B3 B7 1.762(9) . ?
B3 B8 1.752(9) . ?
C3 B4 1.768(10) . ?
C3 B7 1.762(9) . ?
C3 B8 1.752(9) . ?
B4 H4 1.18(6) . ?
B4 B5 1.791(10) . ?
B4 B8 1.811(10) . ?
B4 B9 1.805(10) . ?
B5 H5 1.16(6) . ?
B5 B6 1.816(10) . ?
B5 B9 1.794(10) . ?
B5 B10 1.792(9) . ?
B6 H6 1.06(6) . ?
B6 B10 1.810(10) . ?
B6 B11 1.768(10) . ?
B7 H7 1.03(6) . ?
B7 B8 1.758(9) . ?
B7 B11 1.820(10) . ?
B7 B12 1.757(9) . ?
B8 H8 1.18(6) . ?
B8 B9 1.786(10) . ?
B8 B12 1.806(10) . ?
B9 H9 1.21(6) . ?
B9 B10 1.767(11) . ?
B9 B12 1.825(10) . ?
B10 H10 1.10(6) . ?
B10 B11 1.817(10) . ?
B10 B12 1.771(10) . ?
B11 H11 1.05(6) . ?
B11 B12 1.777(10) . ?
B12 H12 1.06(6) . ?

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' B3' 63.4(4) . . ?
C2' C1' B4' 109.2(4) . . ?
C2' C1' B5' 111.5(4) . . ?
C2' C1' B6' 62.5(4) . . ?
B4' C1' B3' 60.5(4) . . ?
B4' C1' B5' 63.2(4) . . ?
B4' C1' B6' 114.6(4) . . ?
B5' C1' B3' 115.5(4) . . ?
B5' C1' B6' 62.8(4) . . ?
B6' C1' B3' 118.3(4) . . ?
C1 C1' C2' 115.9(4) . . ?
C1 C1' B3' 109.2(4) . . ?
C1 C1' B4' 120.7(4) . . ?
C1 C1' B5' 125.2(4) . . ?
C1 C1' B6' 119.4(4) . . ?
C101 P1 Ru1 121.19(16) . . ?
C101 P1 C111 101.8(2) . . ?
C101 P1 C121 107.2(2) . . ?
C101 P1 Ru1A 102.14(17) . . ?
C111 P1 Ru1 117.57(16) . . ?
C111 P1 Ru1A 115.93(17) . . ?
C121 P1 Ru1 106.85(17) . . ?
C121 P1 C111 99.9(2) . . ?
C121 P1 Ru1A 127.15(18) . . ?
Ru1A P1 Ru1 22.35(7) . . ?
P1 Ru1 H2 72.5 . . ?
P1 Ru1 P2 100.53(5) . . ?
P1 Ru1 B3 146.75(16) . . ?
P1 Ru1 H3 172(2) . . ?
P1 Ru1 C3 146.75(16) . . ?
P2 Ru1 H2 172.6 . . ?
P2 Ru1 H3 84(2) . . ?
B3' Ru1 P1 93.5(2) . . ?
B3' Ru1 H2 77.8 . . ?
B3' Ru1 P2 105.5(2) . . ?
B3' Ru1 B2 87.6(2) . . ?
B3' Ru1 B3 87.4(2) . . ?
B3' Ru1 H3 79(2) . . ?
B3' Ru1 C3 87.4(2) . . ?
B2 Ru1 P1 102.98(16) . . ?
B2 Ru1 H2 32.8 . . ?
B2 Ru1 P2 152.25(17) . . ?
B2 Ru1 B3 43.8(2) . . ?
B2 Ru1 H3 74(2) . . ?
B2 Ru1 C3 43.8(2) . . ?
B3 Ru1 P2 111.25(16) . . ?
B3 Ru1 H3 31(2) . . ?
C3 Ru1 H2 75.2 . . ?
C3 Ru1 P2 111.25(16) . . ?
Ru1A Ru1 P1 77.67(14) . . ?
Ru1A Ru1 H2 106.0 . . ?
Ru1A Ru1 P2 74.28(14) . . ?
Ru1A Ru1 B3' 38.5(2) . . ?
Ru1A Ru1 B2 125.2(2) . . ?
Ru1A Ru1 C3 119.5(2) . . ?
C1' C2' H2' 123(3) . . ?
C1' C2' B3' 64.3(3) . . ?
C1' C2' B6' 62.0(4) . . ?
C1' C2' B7' 111.9(5) . . ?
C1' C2' B11' 112.5(5) . . ?
B3' C2' H2' 119(4) . . ?
B6' C2' H2' 114(3) . . ?
B6' C2' B3' 118.7(5) . . ?
B7' C2' H2' 117(3) . . ?
B7' C2' B3' 61.7(4) . . ?
B7' C2' B6' 116.0(5) . . ?
B7' C2' B11' 63.8(4) . . ?
B11' C2' H2' 113(4) . . ?
B11' C2' B3' 116.9(5) . . ?
B11' C2' B6' 63.1(4) . . ?
C201 P2 Ru1 124.33(16) . . ?
C201 P2 C211 101.7(2) . . ?
C201 P2 C221 102.6(2) . . ?
C201 P2 Ru1A 103.28(18) . . ?
C211 P2 Ru1 108.40(15) . . ?
C211 P2 C221 100.5(2) . . ?
C211 P2 Ru1A 118.45(16) . . ?
C221 P2 Ru1 115.94(16) . . ?
C221 P2 Ru1A 126.64(17) . . ?
Ru1A P2 Ru1 21.07(7) . . ?
C1' B3' Ru1 107.8(3) . . ?
C2' B3' C1' 52.3(3) . . ?
C2' B3' Ru1 118.5(4) . . ?
B4' B3' C1' 56.1(3) . . ?
B4' B3' Ru1 118.3(4) . . ?
B4' B3' C2' 97.0(4) . . ?
B4' B3' B7' 102.5(4) . . ?
B4' B3' B8' 59.1(3) . . ?
B7' B3' C1' 97.3(4) . . ?
B7' B3' Ru1 139.0(4) . . ?
B7' B3' C2' 55.4(4) . . ?
B8' B3' C1' 99.3(4) . . ?
B8' B3' Ru1 143.4(5) . . ?
B8' B3' C2' 97.5(4) . . ?
B8' B3' B7' 57.0(4) . . ?
Ru1A B3' C1' 128.7(4) . . ?
Ru1A B3' Ru1 21.24(15) . . ?
Ru1A B3' C2' 131.5(5) . . ?
Ru1A B3' B4' 123.4(5) . . ?
Ru1A B3' B7' 126.9(5) . . ?
Ru1A B3' B8' 124.8(5) . . ?
C1' B4' B3' 63.4(4) . . ?
C1' B4' H4' 122(3) . . ?
C1' B4' B5' 58.5(3) . . ?
C1' B4' B8' 105.6(5) . . ?
C1' B4' B9' 105.0(4) . . ?
B3' B4' H4' 120(3) . . ?
B5' B4' B3' 114.0(5) . . ?
B5' B4' H4' 116(3) . . ?
B8' B4' B3' 60.5(4) . . ?
B8' B4' H4' 126(3) . . ?
B8' B4' B5' 108.6(5) . . ?
B9' B4' B3' 112.3(5) . . ?
B9' B4' H4' 120(3) . . ?
B9' B4' B5' 60.0(4) . . ?
B9' B4' B8' 60.6(3) . . ?
C1' B5' B4' 58.3(3) . . ?
C1' B5' H5' 115(3) . . ?
C1' B5' B6' 59.1(3) . . ?
C1' B5' B9' 104.3(4) . . ?
C1' B5' B10' 103.8(5) . . ?
B4' B5' H5' 116(3) . . ?
B4' B5' B6' 107.7(5) . . ?
B4' B5' B10' 107.3(5) . . ?
B6' B5' H5' 121(3) . . ?
B6' B5' B10' 58.8(4) . . ?
B9' B5' B4' 59.2(4) . . ?
B9' B5' H5' 128(3) . . ?
B9' B5' B6' 108.1(5) . . ?
B9' B5' B10' 61.0(4) . . ?
B10' B5' H5' 132(3) . . ?
C1' B6' C2' 55.5(3) . . ?
C1' B6' B5' 58.1(4) . . ?
C1' B6' H6' 116(3) . . ?
C1' B6' B10' 104.5(5) . . ?
C1' B6' B11' 102.5(4) . . ?
C2' B6' B5' 102.4(5) . . ?
C2' B6' H6' 119(3) . . ?
C2' B6' B10' 103.3(4) . . ?
C2' B6' B11' 57.2(4) . . ?
B5' B6' H6' 123(3) . . ?
B5' B6' B11' 107.4(5) . . ?
B10' B6' B5' 60.6(4) . . ?
B10' B6' H6' 133(3) . . ?
B10' B6' B11' 60.2(4) . . ?
B11' B6' H6' 127(3) . . ?
C2' B7' B3' 62.9(4) . . ?
C2' B7' H7' 115(3) . . ?
C2' B7' B8' 106.0(5) . . ?
C2' B7' B11' 58.2(4) . . ?
C2' B7' B12' 103.6(5) . . ?
B3' B7' H7' 123(3) . . ?
B3' B7' B12' 111.0(5) . . ?
B8' B7' B3' 61.2(4) . . ?
B8' B7' H7' 135(3) . . ?
B8' B7' B11' 108.5(5) . . ?
B8' B7' B12' 59.9(4) . . ?
B11' B7' B3' 113.2(5) . . ?
B11' B7' H7' 108(3) . . ?
B11' B7' B12' 59.4(4) . . ?
B12' B7' H7' 123(3) . . ?
B3' B8' H8' 119(3) . . ?
B4' B8' B3' 60.4(4) . . ?
B4' B8' H8' 125(3) . . ?
B4' B8' B9' 59.4(4) . . ?
B7' B8' B3' 61.8(4) . . ?
B7' B8' B4' 107.1(4) . . ?
B7' B8' H8' 120(3) . . ?
B7' B8' B9' 109.5(5) . . ?
B7' B8' B12' 62.8(4) . . ?
B9' B8' B3' 111.2(4) . . ?
B9' B8' H8' 121(3) . . ?
B12' B8' B3' 113.9(5) . . ?
B12' B8' B4' 107.3(4) . . ?
B12' B8' H8' 118(3) . . ?
B12' B8' B9' 59.5(4) . . ?
B4' B9' B5' 60.9(4) . . ?
B4' B9' B8' 59.9(4) . . ?
B4' B9' H9' 118(3) . . ?
B4' B9' B10' 107.8(4) . . ?
B4' B9' B12' 107.9(5) . . ?
B5' B9' B8' 108.8(4) . . ?
B5' B9' H9' 121(3) . . ?
B5' B9' B10' 60.0(4) . . ?
B8' B9' H9' 119(3) . . ?
B8' B9' B10' 107.1(5) . . ?
B10' B9' H9' 126(3) . . ?
B12' B9' B5' 108.3(5) . . ?
B12' B9' B8' 59.8(4) . . ?
B12' B9' H9' 124(3) . . ?
B12' B9' B10' 59.4(4) . . ?
B5' B10' B9' 59.0(4) . . ?
B5' B10' H10' 121(4) . . ?
B6' B10' B5' 60.6(4) . . ?
B6' B10' B9' 108.0(5) . . ?
B6' B10' H10' 116(4) . . ?
B6' B10' B11' 60.9(4) . . ?
B6' B10' B12' 109.7(5) . . ?
B9' B10' H10' 127(4) . . ?
B11' B10' B5' 107.9(5) . . ?
B11' B10' B9' 106.6(5) . . ?
B11' B10' H10' 120(4) . . ?
B12' B10' B5' 107.2(5) . . ?
B12' B10' B9' 59.0(4) . . ?
B12' B10' H10' 125(4) . . ?
B12' B10' B11' 60.3(4) . . ?
C2' B11' B6' 59.7(4) . . ?
C2' B11' B7' 58.0(4) . . ?
C2' B11' B10' 104.2(5) . . ?
C2' B11' H11' 116(3) . . ?
C2' B11' B12' 104.8(5) . . ?
B6' B11' H11' 118(3) . . ?
B7' B11' B6' 108.5(5) . . ?
B7' B11' H11' 118(3) . . ?
B10' B11' B6' 58.9(4) . . ?
B10' B11' B7' 108.2(5) . . ?
B10' B11' H11' 130(3) . . ?
B10' B11' B12' 59.5(4) . . ?
B12' B11' B6' 107.4(5) . . ?
B12' B11' B7' 61.2(4) . . ?
B12' B11' H11' 129(3) . . ?
B7' B12' H12' 126(3) . . ?
B8' B12' B7' 57.3(4) . . ?
B8' B12' B10' 109.5(5) . . ?
B8' B12' B11' 106.3(4) . . ?
B8' B12' H12' 125(3) . . ?
B9' B12' B7' 106.0(4) . . ?
B9' B12' B8' 60.6(4) . . ?
B9' B12' B10' 61.7(4) . . ?
B9' B12' B11' 108.6(5) . . ?
B9' B12' H12' 121(3) . . ?
B10' B12' B7' 107.4(5) . . ?
B10' B12' B11' 60.2(4) . . ?
B10' B12' H12' 118(3) . . ?
B11' B12' B7' 59.4(4) . . ?
B11' B12' H12' 120(3) . . ?
C102 C101 P1 119.0(4) . . ?
C106 C101 P1 122.5(4) . . ?
C106 C101 C102 118.6(4) . . ?
C101 C102 H102 119.8 . . ?
C101 C102 C103 120.4(5) . . ?
C103 C102 H102 119.8 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0(5) . . ?
C104 C103 H103 120.0 . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 120.0(5) . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 119.9 . . ?
C104 C105 C106 120.1(5) . . ?
C106 C105 H105 119.9 . . ?
C101 C106 H106 119.6 . . ?
C105 C106 C101 120.8(5) . . ?
C105 C106 H106 119.6 . . ?
C112 C111 P1 118.2(4) . . ?
C116 C111 P1 123.5(4) . . ?
C116 C111 C112 118.3(5) . . ?
C111 C112 H112 120.0 . . ?
C113 C112 C111 119.9(5) . . ?
C113 C112 H112 120.0 . . ?
C112 C113 H113 119.5 . . ?
C114 C113 C112 121.0(5) . . ?
C114 C113 H113 119.5 . . ?
C113 C114 H114 120.1 . . ?
C113 C114 C115 119.8(5) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 H115 120.2 . . ?
C116 C115 C114 119.6(5) . . ?
C116 C115 H115 120.2 . . ?
C111 C116 C115 121.2(5) . . ?
C111 C116 H116 119.4 . . ?
C115 C116 H116 119.4 . . ?
C122 C121 P1 122.9(4) . . ?
C126 C121 P1 118.8(4) . . ?
C126 C121 C122 118.1(5) . . ?
C121 C122 H122 119.8 . . ?
C121 C122 C123 120.5(5) . . ?
C123 C122 H122 119.8 . . ?
C122 C123 H123 119.9 . . ?
C124 C123 C122 120.3(5) . . ?
C124 C123 H123 119.9 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.2(5) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.6 . . ?
C126 C125 C124 118.9(5) . . ?
C126 C125 H125 120.6 . . ?
C121 C126 H126 119.0 . . ?
C125 C126 C121 121.9(5) . . ?
C125 C126 H126 119.0 . . ?
C202 C201 P2 123.8(4) . . ?
C202 C201 C206 118.5(4) . . ?
C206 C201 P2 117.7(4) . . ?
C201 C202 H202 119.8 . . ?
C201 C202 C203 120.5(5) . . ?
C203 C202 H202 119.8 . . ?
C202 C203 H203 119.8 . . ?
C204 C203 C202 120.4(5) . . ?
C204 C203 H203 119.8 . . ?
C203 C204 H204 120.0 . . ?
C205 C204 C203 119.9(5) . . ?
C205 C204 H204 120.0 . . ?
C204 C205 H205 120.0 . . ?
C204 C205 C206 119.9(5) . . ?
C206 C205 H205 120.0 . . ?
C201 C206 H206 119.6 . . ?
C205 C206 C201 120.8(5) . . ?
C205 C206 H206 119.6 . . ?
C212 C211 P2 117.9(4) . . ?
C216 C211 P2 123.8(4) . . ?
C216 C211 C212 118.2(5) . . ?
C211 C212 H212 119.6 . . ?
C213 C212 C211 120.8(5) . . ?
C213 C212 H212 119.6 . . ?
C212 C213 H213 119.7 . . ?
C214 C213 C212 120.5(5) . . ?
C214 C213 H213 119.7 . . ?
C213 C214 H214 120.1 . . ?
C213 C214 C215 119.8(5) . . ?
C215 C214 H214 120.1 . . ?
C214 C215 H215 120.1 . . ?
C214 C215 C216 119.8(5) . . ?
C216 C215 H215 120.1 . . ?
C211 C216 C215 120.8(5) . . ?
C211 C216 H216 119.6 . . ?
C215 C216 H216 119.6 . . ?
C222 C221 P2 119.9(4) . . ?
C222 C221 C226 118.0(5) . . ?
C226 C221 P2 122.2(4) . . ?
C221 C222 H222 119.4 . . ?
C223 C222 C221 121.3(5) . . ?
C223 C222 H222 119.4 . . ?
C222 C223 H223 120.1 . . ?
C224 C223 C222 119.8(5) . . ?
C224 C223 H223 120.1 . . ?
C223 C224 H224 120.0 . . ?
C225 C224 C223 119.9(5) . . ?
C225 C224 H224 120.0 . . ?
C224 C225 H225 119.6 . . ?
C224 C225 C226 120.7(6) . . ?
C226 C225 H225 119.6 . . ?
C221 C226 H226 119.9 . . ?
C225 C226 C221 120.3(5) . . ?
C225 C226 H226 119.9 . . ?
C1' C1 B2 114.4(4) . . ?
C1' C1 B3 116.3(4) . . ?
C1' C1 C3 116.3(4) . . ?
C1' C1 B4 120.8(4) . . ?
C1' C1 B5 123.7(4) . . ?
C1' C1 B6 118.1(4) . . ?
B2 C1 B3 60.3(4) . . ?
B2 C1 C3 60.3(4) . . ?
B2 C1 B4 111.6(4) . . ?
B2 C1 B5 113.9(4) . . ?
B2 C1 B6 62.6(4) . . ?
B3 C1 B4 61.0(4) . . ?
C3 C1 B4 61.0(4) . . ?
B5 C1 B3 111.7(4) . . ?
B5 C1 C3 111.7(4) . . ?
B5 C1 B4 62.2(4) . . ?
B6 C1 B3 112.3(4) . . ?
B6 C1 C3 112.3(4) . . ?
B6 C1 B4 115.1(4) . . ?
B6 C1 B5 64.1(4) . . ?
Ru1 B2 H2 43.7 . . ?
C1 B2 Ru1 105.2(3) . . ?
C1 B2 H2 111.4 . . ?
C1 B2 B3 60.7(3) . . ?
C1 B2 C3 60.7(3) . . ?
C1 B2 B6 59.1(3) . . ?
C1 B2 B7 108.6(4) . . ?
C1 B2 B11 107.3(4) . . ?
B3 B2 Ru1 77.0(3) . . ?
B3 B2 B6 109.9(4) . . ?
B3 B2 B7 60.7(4) . . ?
B3 B2 B11 110.8(4) . . ?
C3 B2 Ru1 77.0(3) . . ?
C3 B2 H2 117.9 . . ?
C3 B2 B6 109.9(4) . . ?
C3 B2 B7 60.7(4) . . ?
C3 B2 B11 110.8(4) . . ?
B6 B2 Ru1 150.4(4) . . ?
B6 B2 H2 114.8 . . ?
B7 B2 Ru1 97.9(4) . . ?
B7 B2 H2 130.2 . . ?
B7 B2 B6 110.6(4) . . ?
B11 B2 Ru1 146.0(4) . . ?
B11 B2 H2 128.0 . . ?
B11 B2 B6 60.2(4) . . ?
B11 B2 B7 62.3(4) . . ?
Ru1 B3 H3 44(3) . . ?
C1 B3 Ru1 93.3(3) . . ?
C1 B3 H3 108(3) . . ?
C1 B3 B4 60.3(4) . . ?
C1 B3 B7 107.5(4) . . ?
C1 B3 B8 107.6(5) . . ?
B2 B3 Ru1 59.2(3) . . ?
B2 B3 C1 59.0(3) . . ?
B2 B3 H3 102(3) . . ?
B2 B3 B4 110.0(5) . . ?
B2 B3 B7 61.0(4) . . ?
B2 B3 B8 108.9(5) . . ?
B4 B3 Ru1 150.5(4) . . ?
B4 B3 H3 127(3) . . ?
B7 B3 Ru1 88.3(3) . . ?
B7 B3 H3 121(3) . . ?
B7 B3 B4 111.1(5) . . ?
B8 B3 Ru1 145.8(4) . . ?
B8 B3 H3 141(3) . . ?
B8 B3 B4 61.9(4) . . ?
B8 B3 B7 60.0(4) . . ?
C1 C3 Ru1 93.3(3) . . ?
C1 C3 B4 60.3(4) . . ?
C1 C3 B7 107.5(4) . . ?
C1 C3 B8 107.6(5) . . ?
B2 C3 Ru1 59.2(3) . . ?
B2 C3 C1 59.0(3) . . ?
B2 C3 B4 110.0(5) . . ?
B2 C3 B7 61.0(4) . . ?
B2 C3 B8 108.9(5) . . ?
B4 C3 Ru1 150.5(4) . . ?
B7 C3 Ru1 88.3(3) . . ?
B7 C3 B4 111.1(5) . . ?
B8 C3 Ru1 145.8(4) . . ?
B8 C3 B4 61.9(4) . . ?
B8 C3 B7 60.0(4) . . ?
C1 B4 B3 58.7(3) . . ?
C1 B4 C3 58.7(3) . . ?
C1 B4 H4 118(3) . . ?
C1 B4 B5 57.7(4) . . ?
C1 B4 B8 103.8(4) . . ?
C1 B4 B9 103.4(5) . . ?
B3 B4 H4 122(3) . . ?
B3 B4 B5 106.1(5) . . ?
B3 B4 B8 58.6(4) . . ?
B3 B4 B9 105.4(5) . . ?
C3 B4 H4 122(3) . . ?
C3 B4 B5 106.1(5) . . ?
C3 B4 B8 58.6(4) . . ?
C3 B4 B9 105.4(5) . . ?
B5 B4 H4 119(3) . . ?
B5 B4 B8 106.8(5) . . ?
B5 B4 B9 59.8(4) . . ?
B8 B4 H4 129(3) . . ?
B9 B4 H4 128(3) . . ?
B9 B4 B8 59.2(4) . . ?
C1 B5 B4 60.1(4) . . ?
C1 B5 H5 119(3) . . ?
C1 B5 B6 57.9(3) . . ?
C1 B5 B9 105.8(5) . . ?
C1 B5 B10 104.7(4) . . ?
B4 B5 H5 116(3) . . ?
B4 B5 B6 108.4(5) . . ?
B4 B5 B9 60.5(4) . . ?
B4 B5 B10 108.0(5) . . ?
B6 B5 H5 123(3) . . ?
B9 B5 H5 125(3) . . ?
B9 B5 B6 107.4(5) . . ?
B10 B5 H5 129(3) . . ?
B10 B5 B6 60.2(4) . . ?
B10 B5 B9 59.0(4) . . ?
C1 B6 B2 58.3(3) . . ?
C1 B6 B5 58.0(4) . . ?
C1 B6 H6 114(3) . . ?
C1 B6 B10 104.0(5) . . ?
C1 B6 B11 106.0(5) . . ?
B2 B6 B5 105.6(4) . . ?
B2 B6 H6 117(3) . . ?
B2 B6 B10 106.0(4) . . ?
B5 B6 H6 121(3) . . ?
B10 B6 B5 59.2(4) . . ?
B10 B6 H6 132(3) . . ?
B11 B6 B2 59.4(4) . . ?
B11 B6 B5 108.7(5) . . ?
B11 B6 H6 127(3) . . ?
B11 B6 B10 61.0(4) . . ?
B2 B7 H7 116(3) . . ?
B2 B7 B11 58.5(4) . . ?
B3 B7 B2 58.3(3) . . ?
B3 B7 H7 115(3) . . ?
B3 B7 B11 105.8(4) . . ?
C3 B7 B2 58.3(3) . . ?
C3 B7 H7 115(3) . . ?
C3 B7 B11 105.8(4) . . ?
B8 B7 B2 106.5(4) . . ?
B8 B7 B3 59.7(4) . . ?
B8 B7 C3 59.7(4) . . ?
B8 B7 H7 123(3) . . ?
B8 B7 B11 108.7(5) . . ?
B11 B7 H7 125(3) . . ?
B12 B7 B2 106.0(5) . . ?
B12 B7 B3 108.0(5) . . ?
B12 B7 C3 108.0(5) . . ?
B12 B7 H7 131(3) . . ?
B12 B7 B8 61.9(4) . . ?
B12 B7 B11 59.5(4) . . ?
B3 B8 B4 59.5(4) . . ?
B3 B8 B7 60.2(4) . . ?
B3 B8 H8 122(3) . . ?
B3 B8 B9 106.9(5) . . ?
B3 B8 B12 106.2(5) . . ?
C3 B8 B4 59.5(4) . . ?
C3 B8 B7 60.2(4) . . ?
C3 B8 H8 122(3) . . ?
C3 B8 B9 106.9(5) . . ?
C3 B8 B12 106.2(5) . . ?
B4 B8 H8 120(3) . . ?
B7 B8 B4 109.2(5) . . ?
B7 B8 H8 122(3) . . ?
B7 B8 B9 108.9(5) . . ?
B7 B8 B12 59.1(4) . . ?
B9 B8 B4 60.2(4) . . ?
B9 B8 H8 121(3) . . ?
B9 B8 B12 61.1(4) . . ?
B12 B8 B4 108.8(5) . . ?
B12 B8 H8 123(3) . . ?
B4 B9 H9 119(3) . . ?
B4 B9 B12 108.2(5) . . ?
B5 B9 B4 59.7(4) . . ?
B5 B9 H9 117(3) . . ?
B5 B9 B12 107.1(5) . . ?
B8 B9 B4 60.6(4) . . ?
B8 B9 B5 107.8(5) . . ?
B8 B9 H9 125(3) . . ?
B8 B9 B12 60.0(4) . . ?
B10 B9 B4 108.5(5) . . ?
B10 B9 B5 60.4(4) . . ?
B10 B9 B8 107.8(5) . . ?
B10 B9 H9 120(3) . . ?
B10 B9 B12 59.0(4) . . ?
B12 B9 H9 126(3) . . ?
B5 B10 B6 60.6(4) . . ?
B5 B10 H10 120(3) . . ?
B5 B10 B11 107.6(4) . . ?
B6 B10 H10 117(3) . . ?
B6 B10 B11 58.3(4) . . ?
B9 B10 B5 60.5(4) . . ?
B9 B10 B6 108.9(5) . . ?
B9 B10 H10 125(3) . . ?
B9 B10 B11 109.1(5) . . ?
B9 B10 B12 62.1(4) . . ?
B11 B10 H10 120(3) . . ?
B12 B10 B5 109.6(5) . . ?
B12 B10 B6 106.8(5) . . ?
B12 B10 H10 125(3) . . ?
B12 B10 B11 59.4(4) . . ?
B2 B11 B6 60.3(4) . . ?
B2 B11 B7 59.2(4) . . ?
B2 B11 B10 106.4(5) . . ?
B2 B11 H11 124(3) . . ?
B2 B11 B12 105.7(5) . . ?
B6 B11 B7 108.3(5) . . ?
B6 B11 B10 60.6(4) . . ?
B6 B11 H11 112(3) . . ?
B6 B11 B12 108.4(5) . . ?
B7 B11 H11 132(3) . . ?
B10 B11 B7 105.5(5) . . ?
B10 B11 H11 116(3) . . ?
B12 B11 B7 58.5(4) . . ?
B12 B11 B10 59.0(4) . . ?
B12 B11 H11 126(3) . . ?
B7 B12 B8 59.1(4) . . ?
B7 B12 B9 107.2(5) . . ?
B7 B12 B10 110.3(5) . . ?
B7 B12 B11 62.0(4) . . ?
B7 B12 H12 119(3) . . ?
B8 B12 B9 58.9(4) . . ?
B8 B12 H12 125(3) . . ?
B9 B12 H12 126(3) . . ?
B10 B12 B8 106.7(5) . . ?
B10 B12 B9 58.8(4) . . ?
B10 B12 B11 61.6(4) . . ?
B10 B12 H12 121(3) . . ?
B11 B12 B8 108.4(5) . . ?
B11 B12 B9 108.3(5) . . ?
B11 B12 H12 116(3) . . ?
P1 Ru1A P2 103.57(9) . . ?
Ru1 Ru1A P1 79.98(15) . . ?
Ru1 Ru1A P2 84.64(16) . . ?
Ru1 Ru1A B3' 120.3(3) . . ?
B3' Ru1A P1 114.0(3) . . ?
B3' Ru1A P2 137.3(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' B3' Ru1 -91.2(4) . . . . ?
C1' C2' B3' B4' 36.3(4) . . . . ?
C1' C2' B3' B7' 136.8(5) . . . . ?
C1' C2' B3' B8' 96.0(4) . . . . ?
C1' C2' B3' Ru1A -111.8(6) . . . . ?
C1' C2' B6' B5' -36.2(4) . . . . ?
C1' C2' B6' B10' -98.6(5) . . . . ?
C1' C2' B6' B11' -139.2(5) . . . . ?
C1' C2' B7' B3' -41.7(4) . . . . ?
C1' C2' B7' B8' 3.0(6) . . . . ?
C1' C2' B7' B11' 105.2(5) . . . . ?
C1' C2' B7' B12' 65.2(6) . . . . ?
C1' C2' B11' B6' 38.7(5) . . . . ?
C1' C2' B11' B7' -104.2(5) . . . . ?
C1' C2' B11' B10' -1.4(6) . . . . ?
C1' C2' B11' B12' -63.1(6) . . . . ?
C1' B3' B4' B5' 30.4(4) . . . . ?
C1' B3' B4' B8' 129.0(5) . . . . ?
C1' B3' B4' B9' 96.2(5) . . . . ?
C1' B3' B7' C2' 33.1(4) . . . . ?
C1' B3' B7' B8' -96.3(4) . . . . ?
C1' B3' B7' B11' 2.8(6) . . . . ?
C1' B3' B7' B12' -61.8(5) . . . . ?
C1' B3' B8' B4' -40.8(4) . . . . ?
C1' B3' B8' B7' 92.8(5) . . . . ?
C1' B3' B8' B9' -8.7(6) . . . . ?
C1' B3' B8' B12' 56.3(6) . . . . ?
C1' B3' Ru1A P1 -103.8(6) . . . . ?
C1' B3' Ru1A Ru1 -11.6(8) . . . . ?
C1' B3' Ru1A P2 106.6(6) . . . . ?
C1' B4' B5' B6' 33.9(4) . . . . ?
C1' B4' B5' B9' 134.8(5) . . . . ?
C1' B4' B5' B10' 95.8(5) . . . . ?
C1' B4' B8' B3' 46.2(4) . . . . ?
C1' B4' B8' B7' 4.2(6) . . . . ?
C1' B4' B8' B9' -98.7(5) . . . . ?
C1' B4' B8' B12' -61.9(5) . . . . ?
C1' B4' B9' B5' -38.7(4) . . . . ?
C1' B4' B9' B8' 99.7(5) . . . . ?
C1' B4' B9' B10' -0.1(6) . . . . ?
C1' B4' B9' B12' 62.6(5) . . . . ?
C1' B5' B6' C2' 35.0(4) . . . . ?
C1' B5' B6' B10' 133.5(5) . . . . ?
C1' B5' B6' B11' 94.2(5) . . . . ?
C1' B5' B9' B4' 38.5(4) . . . . ?
C1' B5' B9' B8' 1.2(6) . . . . ?
C1' B5' B9' B10' -98.1(5) . . . . ?
C1' B5' B9' B12' -62.2(6) . . . . ?
C1' B5' B10' B6' -39.9(4) . . . . ?
C1' B5' B10' B9' 98.8(5) . . . . ?
C1' B5' B10' B11' -0.2(6) . . . . ?
C1' B5' B10' B12' 63.4(6) . . . . ?
C1' B6' B10' B5' 39.5(4) . . . . ?
C1' B6' B10' B9' 3.1(6) . . . . ?
C1' B6' B10' B11' -96.4(5) . . . . ?
C1' B6' B10' B12' -59.6(6) . . . . ?
C1' B6' B11' C2' -33.5(4) . . . . ?
C1' B6' B11' B7' -0.9(6) . . . . ?
C1' B6' B11' B10' 99.7(5) . . . . ?
C1' B6' B11' B12' 63.8(6) . . . . ?
C1' C1 B2 Ru1 -42.3(5) . . . . ?
C1' C1 B2 B3 -107.5(5) . . . . ?
C1' C1 B2 C3 -107.5(5) . . . . ?
C1' C1 B2 B6 110.3(5) . . . . ?
C1' C1 B2 B7 -146.3(4) . . . . ?
C1' C1 B2 B11 147.9(5) . . . . ?
C1' C1 B3 Ru1 53.7(5) . . . . ?
C1' C1 B3 B2 104.4(5) . . . . ?
C1' C1 B3 B4 -112.3(5) . . . . ?
C1' C1 B3 B7 143.0(4) . . . . ?
C1' C1 B3 B8 -153.7(4) . . . . ?
C1' C1 C3 Ru1 53.7(5) . . . . ?
C1' C1 C3 B2 104.4(5) . . . . ?
C1' C1 C3 B4 -112.3(5) . . . . ?
C1' C1 C3 B7 143.0(4) . . . . ?
C1' C1 C3 B8 -153.7(4) . . . . ?
C1' C1 B4 B3 105.1(5) . . . . ?
C1' C1 B4 C3 105.1(5) . . . . ?
C1' C1 B4 B5 -114.6(5) . . . . ?
C1' C1 B4 B8 144.0(5) . . . . ?
C1' C1 B4 B9 -154.9(5) . . . . ?
C1' C1 B5 B4 110.1(5) . . . . ?
C1' C1 B5 B6 -107.8(6) . . . . ?
C1' C1 B5 B9 151.3(5) . . . . ?
C1' C1 B5 B10 -147.3(5) . . . . ?
C1' C1 B6 B2 -104.6(5) . . . . ?
C1' C1 B6 B5 116.1(5) . . . . ?
C1' C1 B6 B10 155.1(4) . . . . ?
C1' C1 B6 B11 -141.5(5) . . . . ?
P1 Ru1 Ru1A P2 104.82(7) . . . . ?
P1 Ru1 Ru1A B3' -112.1(4) . . . . ?
P1 C101 C102 C103 178.9(4) . . . . ?
P1 C101 C106 C105 -179.0(4) . . . . ?
P1 C111 C112 C113 -178.7(4) . . . . ?
P1 C111 C116 C115 178.7(4) . . . . ?
P1 C121 C122 C123 177.9(4) . . . . ?
P1 C121 C126 C125 -176.3(4) . . . . ?
Ru1 P1 C101 C102 26.5(5) . . . . ?
Ru1 P1 C101 C106 -153.0(4) . . . . ?
Ru1 P1 C111 C112 61.3(4) . . . . ?
Ru1 P1 C111 C116 -118.9(4) . . . . ?
Ru1 P1 C121 C122 -159.5(4) . . . . ?
Ru1 P1 C121 C126 16.0(4) . . . . ?
Ru1 P2 C201 C202 120.5(4) . . . . ?
Ru1 P2 C201 C206 -58.9(4) . . . . ?
Ru1 P2 C211 C212 -48.7(4) . . . . ?
Ru1 P2 C211 C216 134.4(4) . . . . ?
Ru1 P2 C221 C222 -60.4(4) . . . . ?
Ru1 P2 C221 C226 119.6(4) . . . . ?
Ru1 B3' B4' C1' 93.3(4) . . . . ?
Ru1 B3' B4' B5' 123.7(5) . . . . ?
Ru1 B3' B4' B8' -137.7(5) . . . . ?
Ru1 B3' B4' B9' -170.5(4) . . . . ?
Ru1 B3' B7' C2' -95.2(7) . . . . ?
Ru1 B3' B7' B8' 135.4(7) . . . . ?
Ru1 B3' B7' B11' -125.5(6) . . . . ?
Ru1 B3' B7' B12' 169.9(5) . . . . ?
Ru1 B3' B8' B4' 96.9(8) . . . . ?
Ru1 B3' B8' B7' -129.5(8) . . . . ?
Ru1 B3' B8' B9' 129.0(6) . . . . ?
Ru1 B3' B8' B12' -166.0(6) . . . . ?
Ru1 B3' Ru1A P1 -92.3(3) . . . . ?
Ru1 B3' Ru1A P2 118.2(5) . . . . ?
Ru1 B2 B3 C1 -115.9(3) . . . . ?
Ru1 B2 B3 B4 -149.5(4) . . . . ?
Ru1 B2 B3 B7 106.9(3) . . . . ?
Ru1 B2 B3 B8 144.4(4) . . . . ?
Ru1 B2 C3 C1 -115.9(3) . . . . ?
Ru1 B2 C3 B4 -149.5(4) . . . . ?
Ru1 B2 C3 B7 106.9(3) . . . . ?
Ru1 B2 C3 B8 144.4(4) . . . . ?
Ru1 B2 B6 C1 64.0(8) . . . . ?
Ru1 B2 B6 B5 99.1(8) . . . . ?
Ru1 B2 B6 B10 160.9(7) . . . . ?
Ru1 B2 B6 B11 -158.1(8) . . . . ?
Ru1 B2 B7 B3 -70.2(3) . . . . ?
Ru1 B2 B7 C3 -70.2(3) . . . . ?
Ru1 B2 B7 B8 -107.0(4) . . . . ?
Ru1 B2 B7 B11 150.8(4) . . . . ?
Ru1 B2 B7 B12 -171.7(4) . . . . ?
Ru1 B2 B11 B6 160.8(8) . . . . ?
Ru1 B2 B11 B7 -59.8(7) . . . . ?
Ru1 B2 B11 B10 -158.3(6) . . . . ?
Ru1 B2 B11 B12 -96.7(8) . . . . ?
Ru1 B3 B4 C1 -29.5(8) . . . . ?
Ru1 B3 B4 B5 -63.6(10) . . . . ?
Ru1 B3 B4 B8 -163.8(9) . . . . ?
Ru1 B3 B4 B9 -126.0(8) . . . . ?
Ru1 B3 B7 B2 55.3(3) . . . . ?
Ru1 B3 B7 B8 -166.4(4) . . . . ?
Ru1 B3 B7 B11 90.9(4) . . . . ?
Ru1 B3 B7 B12 153.4(4) . . . . ?
Ru1 B3 B8 B4 165.9(8) . . . . ?
Ru1 B3 B8 B7 24.8(7) . . . . ?
Ru1 B3 B8 B9 127.3(7) . . . . ?
Ru1 B3 B8 B12 63.3(9) . . . . ?
Ru1 C3 B4 C1 -29.5(8) . . . . ?
Ru1 C3 B4 B5 -63.6(10) . . . . ?
Ru1 C3 B4 B8 -163.8(9) . . . . ?
Ru1 C3 B4 B9 -126.0(8) . . . . ?
Ru1 C3 B7 B2 55.3(3) . . . . ?
Ru1 C3 B7 B8 -166.4(4) . . . . ?
Ru1 C3 B7 B11 90.9(4) . . . . ?
Ru1 C3 B7 B12 153.4(4) . . . . ?
Ru1 C3 B8 B4 165.9(8) . . . . ?
Ru1 C3 B8 B7 24.8(7) . . . . ?
Ru1 C3 B8 B9 127.3(7) . . . . ?
Ru1 C3 B8 B12 63.3(9) . . . . ?
C2' C1' B3' Ru1 112.6(4) . . . . ?
C2' C1' B3' B4' -134.8(5) . . . . ?
C2' C1' B3' B7' -34.7(4) . . . . ?
C2' C1' B3' B8' -92.3(5) . . . . ?
C2' C1' B3' Ru1A 117.0(6) . . . . ?
C2' C1' B4' B3' 42.1(4) . . . . ?
C2' C1' B4' B5' -105.0(5) . . . . ?
C2' C1' B4' B8' -2.5(6) . . . . ?
C2' C1' B4' B9' -65.6(5) . . . . ?
C2' C1' B5' B4' 101.3(5) . . . . ?
C2' C1' B5' B6' -40.4(4) . . . . ?
C2' C1' B5' B9' 62.4(6) . . . . ?
C2' C1' B5' B10' -0.7(6) . . . . ?
C2' C1' B6' B5' 137.1(4) . . . . ?
C2' C1' B6' B10' 96.3(5) . . . . ?
C2' C1' B6' B11' 34.3(4) . . . . ?
C2' C1' C1 B2 -43.3(6) . . . . ?
C2' C1' C1 B3 -110.8(5) . . . . ?
C2' C1' C1 C3 -110.8(5) . . . . ?
C2' C1' C1 B4 178.8(5) . . . . ?
C2' C1' C1 B5 103.6(6) . . . . ?
C2' C1' C1 B6 27.4(7) . . . . ?
C2' B3' B4' C1' -34.4(3) . . . . ?
C2' B3' B4' B5' -4.0(6) . . . . ?
C2' B3' B4' B8' 94.6(4) . . . . ?
C2' B3' B4' B9' 61.8(5) . . . . ?
C2' B3' B7' B8' -129.5(5) . . . . ?
C2' B3' B7' B11' -30.3(5) . . . . ?
C2' B3' B7' B12' -94.9(5) . . . . ?
C2' B3' B8' B4' -93.7(4) . . . . ?
C2' B3' B8' B7' 39.9(4) . . . . ?
C2' B3' B8' B9' -61.6(5) . . . . ?
C2' B3' B8' B12' 3.4(6) . . . . ?
C2' B3' Ru1A P1 -33.5(7) . . . . ?
C2' B3' Ru1A Ru1 58.7(7) . . . . ?
C2' B3' Ru1A P2 176.9(4) . . . . ?
C2' B6' B10' B5' 96.9(5) . . . . ?
C2' B6' B10' B9' 60.4(6) . . . . ?
C2' B6' B10' B11' -39.0(4) . . . . ?
C2' B6' B10' B12' -2.2(7) . . . . ?
C2' B6' B11' B7' 32.7(5) . . . . ?
C2' B6' B11' B10' 133.2(5) . . . . ?
C2' B6' B11' B12' 97.3(5) . . . . ?
C2' B7' B8' B3' -45.7(4) . . . . ?
C2' B7' B8' B4' -4.4(6) . . . . ?
C2' B7' B8' B9' 58.5(6) . . . . ?
C2' B7' B8' B12' 96.7(5) . . . . ?
C2' B7' B11' B6' -33.3(5) . . . . ?
C2' B7' B11' B10' -95.7(5) . . . . ?
C2' B7' B11' B12' -133.5(5) . . . . ?
C2' B7' B12' B8' -100.9(5) . . . . ?
C2' B7' B12' B9' -63.1(5) . . . . ?
C2' B7' B12' B10' 1.6(6) . . . . ?
C2' B7' B12' B11' 39.4(4) . . . . ?
C2' B11' B12' B7' -39.6(4) . . . . ?
C2' B11' B12' B8' -5.5(6) . . . . ?
C2' B11' B12' B9' 58.4(6) . . . . ?
C2' B11' B12' B10' 98.0(5) . . . . ?
P2 Ru1 Ru1A P1 -104.82(7) . . . . ?
P2 Ru1 Ru1A B3' 143.1(4) . . . . ?
P2 C201 C202 C203 -178.3(4) . . . . ?
P2 C201 C206 C205 179.2(4) . . . . ?
P2 C211 C212 C213 -177.2(4) . . . . ?
P2 C211 C216 C215 178.4(4) . . . . ?
P2 C221 C222 C223 179.0(4) . . . . ?
P2 C221 C226 C225 -179.0(4) . . . . ?
B3' C1' C2' B6' 149.2(4) . . . . ?
B3' C1' C2' B7' 40.5(4) . . . . ?
B3' C1' C2' B11' 110.1(5) . . . . ?
B3' C1' B4' B5' -147.2(5) . . . . ?
B3' C1' B4' B8' -44.6(4) . . . . ?
B3' C1' B4' B9' -107.7(5) . . . . ?
B3' C1' B5' B4' 31.5(5) . . . . ?
B3' C1' B5' B6' -110.2(5) . . . . ?
B3' C1' B5' B9' -7.4(6) . . . . ?
B3' C1' B5' B10' -70.5(6) . . . . ?
B3' C1' B6' C2' -31.3(4) . . . . ?
B3' C1' B6' B5' 105.9(5) . . . . ?
B3' C1' B6' B10' 65.1(6) . . . . ?
B3' C1' B6' B11' 3.0(6) . . . . ?
B3' C1' C1 B2 25.7(6) . . . . ?
B3' C1' C1 B3 -41.8(6) . . . . ?
B3' C1' C1 C3 -41.8(6) . . . . ?
B3' C1' C1 B4 -112.3(5) . . . . ?
B3' C1' C1 B5 172.6(5) . . . . ?
B3' C1' C1 B6 96.3(6) . . . . ?
B3' Ru1 Ru1A P1 112.1(4) . . . . ?
B3' Ru1 Ru1A P2 -143.1(4) . . . . ?
B3' C2' B6' C1' 31.7(4) . . . . ?
B3' C2' B6' B5' -4.5(6) . . . . ?
B3' C2' B6' B10' -66.9(6) . . . . ?
B3' C2' B6' B11' -107.5(5) . . . . ?
B3' C2' B7' B8' 44.7(4) . . . . ?
B3' C2' B7' B11' 146.9(5) . . . . ?
B3' C2' B7' B12' 106.9(5) . . . . ?
B3' C2' B11' B6' 110.3(5) . . . . ?
B3' C2' B11' B7' -32.6(5) . . . . ?
B3' C2' B11' B10' 70.2(6) . . . . ?
B3' C2' B11' B12' 8.5(7) . . . . ?
B3' B4' B5' C1' -32.0(4) . . . . ?
B3' B4' B5' B6' 1.9(6) . . . . ?
B3' B4' B5' B9' 102.8(5) . . . . ?
B3' B4' B5' B10' 63.8(6) . . . . ?
B3' B4' B8' B7' -41.9(5) . . . . ?
B3' B4' B8' B9' -144.9(5) . . . . ?
B3' B4' B8' B12' -108.1(5) . . . . ?
B3' B4' B9' B5' -105.7(5) . . . . ?
B3' B4' B9' B8' 32.8(5) . . . . ?
B3' B4' B9' B10' -67.0(6) . . . . ?
B3' B4' B9' B12' -4.3(6) . . . . ?
B3' B7' B8' B4' 41.2(4) . . . . ?
B3' B7' B8' B9' 104.2(5) . . . . ?
B3' B7' B8' B12' 142.3(5) . . . . ?
B3' B7' B11' C2' 31.9(5) . . . . ?
B3' B7' B11' B6' -1.4(7) . . . . ?
B3' B7' B11' B10' -63.8(6) . . . . ?
B3' B7' B11' B12' -101.5(5) . . . . ?
B3' B7' B12' B8' -35.0(4) . . . . ?
B3' B7' B12' B9' 2.7(6) . . . . ?
B3' B7' B12' B10' 67.4(6) . . . . ?
B3' B7' B12' B11' 105.2(5) . . . . ?
B3' B8' B9' B4' -32.4(5) . . . . ?
B3' B8' B9' B5' 5.3(7) . . . . ?
B3' B8' B9' B10' 68.6(6) . . . . ?
B3' B8' B9' B12' 106.0(5) . . . . ?
B3' B8' B12' B7' 36.1(5) . . . . ?
B3' B8' B12' B9' -101.4(5) . . . . ?
B3' B8' B12' B10' -62.4(6) . . . . ?
B3' B8' B12' B11' 1.1(7) . . . . ?
B4' C1' C2' B3' -40.8(4) . . . . ?
B4' C1' C2' B6' 108.4(5) . . . . ?
B4' C1' C2' B7' -0.3(6) . . . . ?
B4' C1' C2' B11' 69.3(6) . . . . ?
B4' C1' B3' Ru1 -112.5(5) . . . . ?
B4' C1' B3' C2' 134.8(5) . . . . ?
B4' C1' B3' B7' 100.2(4) . . . . ?
B4' C1' B3' B8' 42.5(4) . . . . ?
B4' C1' B3' Ru1A -108.2(7) . . . . ?
B4' C1' B5' B6' -141.7(5) . . . . ?
B4' C1' B5' B9' -38.9(4) . . . . ?
B4' C1' B5' B10' -102.0(5) . . . . ?
B4' C1' B6' C2' -99.7(5) . . . . ?
B4' C1' B6' B5' 37.4(5) . . . . ?
B4' C1' B6' B10' -3.4(6) . . . . ?
B4' C1' B6' B11' -65.5(6) . . . . ?
B4' C1' C1 B2 92.1(6) . . . . ?
B4' C1' C1 B3 24.7(7) . . . . ?
B4' C1' C1 C3 24.7(7) . . . . ?
B4' C1' C1 B4 -45.8(7) . . . . ?
B4' C1' C1 B5 -121.0(6) . . . . ?
B4' C1' C1 B6 162.8(5) . . . . ?
B4' B3' B7' C2' 89.9(5) . . . . ?
B4' B3' B7' B8' -39.6(4) . . . . ?
B4' B3' B7' B11' 59.6(6) . . . . ?
B4' B3' B7' B12' -5.1(6) . . . . ?
B4' B3' B8' B7' 133.6(5) . . . . ?
B4' B3' B8' B9' 32.1(5) . . . . ?
B4' B3' B8' B12' 97.1(5) . . . . ?
B4' B3' Ru1A P1 -174.7(4) . . . . ?
B4' B3' Ru1A Ru1 -82.4(6) . . . . ?
B4' B3' Ru1A P2 35.8(7) . . . . ?
B4' B5' B6' C1' -33.6(4) . . . . ?
B4' B5' B6' C2' 1.5(5) . . . . ?
B4' B5' B6' B10' 99.9(5) . . . . ?
B4' B5' B6' B11' 60.6(6) . . . . ?
B4' B5' B9' B8' -37.3(5) . . . . ?
B4' B5' B9' B10' -136.6(5) . . . . ?
B4' B5' B9' B12' -100.8(5) . . . . ?
B4' B5' B10' B6' -100.6(5) . . . . ?
B4' B5' B10' B9' 38.2(5) . . . . ?
B4' B5' B10' B11' -60.9(6) . . . . ?
B4' B5' B10' B12' 2.7(7) . . . . ?
B4' B8' B9' B5' 37.7(5) . . . . ?
B4' B8' B9' B10' 101.1(5) . . . . ?
B4' B8' B9' B12' 138.4(5) . . . . ?
B4' B8' B12' B7' 100.8(5) . . . . ?
B4' B8' B12' B9' -36.8(4) . . . . ?
B4' B8' B12' B10' 2.2(6) . . . . ?
B4' B8' B12' B11' 65.8(6) . . . . ?
B4' B9' B10' B5' -39.1(5) . . . . ?
B4' B9' B10' B6' -1.9(6) . . . . ?
B4' B9' B10' B11' 62.2(6) . . . . ?
B4' B9' B10' B12' 100.7(5) . . . . ?
B4' B9' B12' B7' 0.9(6) . . . . ?
B4' B9' B12' B8' 37.1(4) . . . . ?
B4' B9' B12' B10' -100.5(5) . . . . ?
B4' B9' B12' B11' -61.6(6) . . . . ?
B5' C1' C2' B3' -108.7(4) . . . . ?
B5' C1' C2' B6' 40.5(4) . . . . ?
B5' C1' C2' B7' -68.2(6) . . . . ?
B5' C1' C2' B11' 1.4(6) . . . . ?
B5' C1' B3' Ru1 -145.0(4) . . . . ?
B5' C1' B3' C2' 102.4(5) . . . . ?
B5' C1' B3' B4' -32.4(5) . . . . ?
B5' C1' B3' B7' 67.8(5) . . . . ?
B5' C1' B3' B8' 10.1(6) . . . . ?
B5' C1' B3' Ru1A -140.6(6) . . . . ?
B5' C1' B4' B3' 147.2(5) . . . . ?
B5' C1' B4' B8' 102.6(5) . . . . ?
B5' C1' B4' B9' 39.5(4) . . . . ?
B5' C1' B6' C2' -137.1(4) . . . . ?
B5' C1' B6' B10' -40.8(5) . . . . ?
B5' C1' B6' B11' -102.9(5) . . . . ?
B5' C1' C1 B2 169.2(5) . . . . ?
B5' C1' C1 B3 101.7(6) . . . . ?
B5' C1' C1 C3 101.7(6) . . . . ?
B5' C1' C1 B4 31.3(7) . . . . ?
B5' C1' C1 B5 -43.9(8) . . . . ?
B5' C1' C1 B6 -120.1(6) . . . . ?
B5' B4' B8' B3' 107.6(5) . . . . ?
B5' B4' B8' B7' 65.7(6) . . . . ?
B5' B4' B8' B9' -37.3(5) . . . . ?
B5' B4' B8' B12' -0.5(6) . . . . ?
B5' B4' B9' B8' 138.5(5) . . . . ?
B5' B4' B9' B10' 38.7(5) . . . . ?
B5' B4' B9' B12' 101.4(5) . . . . ?
B5' B6' B10' B9' -36.5(5) . . . . ?
B5' B6' B10' B11' -135.9(5) . . . . ?
B5' B6' B10' B12' -99.1(6) . . . . ?
B5' B6' B11' C2' -93.7(5) . . . . ?
B5' B6' B11' B7' -61.0(6) . . . . ?
B5' B6' B11' B10' 39.5(5) . . . . ?
B5' B6' B11' B12' 3.6(6) . . . . ?
B5' B9' B10' B6' 37.1(5) . . . . ?
B5' B9' B10' B11' 101.2(5) . . . . ?
B5' B9' B10' B12' 139.7(5) . . . . ?
B5' B9' B12' B7' 65.3(6) . . . . ?
B5' B9' B12' B8' 101.5(5) . . . . ?
B5' B9' B12' B10' -36.1(5) . . . . ?
B5' B9' B12' B11' 2.8(6) . . . . ?
B5' B10' B11' C2' 0.9(6) . . . . ?
B5' B10' B11' B6' -39.6(4) . . . . ?
B5' B10' B11' B7' 61.5(6) . . . . ?
B5' B10' B11' B12' 99.9(5) . . . . ?
B5' B10' B12' B7' -63.7(6) . . . . ?
B5' B10' B12' B8' -3.1(7) . . . . ?
B5' B10' B12' B9' 35.4(5) . . . . ?
B5' B10' B12' B11' -101.2(5) . . . . ?
B6' C1' C2' B3' -149.2(4) . . . . ?
B6' C1' C2' B7' -108.7(5) . . . . ?
B6' C1' C2' B11' -39.2(5) . . . . ?
B6' C1' B3' Ru1 143.6(4) . . . . ?
B6' C1' B3' C2' 31.0(5) . . . . ?
B6' C1' B3' B4' -103.8(5) . . . . ?
B6' C1' B3' B7' -3.6(6) . . . . ?
B6' C1' B3' B8' -61.3(6) . . . . ?
B6' C1' B3' Ru1A 148.0(6) . . . . ?
B6' C1' B4' B3' 109.9(5) . . . . ?
B6' C1' B4' B5' -37.3(5) . . . . ?
B6' C1' B4' B8' 65.3(6) . . . . ?
B6' C1' B4' B9' 2.2(6) . . . . ?
B6' C1' B5' B4' 141.7(5) . . . . ?
B6' C1' B5' B9' 102.8(5) . . . . ?
B6' C1' B5' B10' 39.7(4) . . . . ?
B6' C1' C1 B2 -115.0(5) . . . . ?
B6' C1' C1 B3 177.6(5) . . . . ?
B6' C1' C1 C3 177.6(5) . . . . ?
B6' C1' C1 B4 107.1(6) . . . . ?
B6' C1' C1 B5 31.9(7) . . . . ?
B6' C1' C1 B6 -44.3(7) . . . . ?
B6' C2' B3' C1' -31.0(4) . . . . ?
B6' C2' B3' Ru1 -122.2(5) . . . . ?
B6' C2' B3' B4' 5.4(6) . . . . ?
B6' C2' B3' B7' 105.8(5) . . . . ?
B6' C2' B3' B8' 65.0(5) . . . . ?
B6' C2' B3' Ru1A -142.8(6) . . . . ?
B6' C2' B7' B3' -110.1(5) . . . . ?
B6' C2' B7' B8' -65.4(6) . . . . ?
B6' C2' B7' B11' 36.8(5) . . . . ?
B6' C2' B7' B12' -3.2(7) . . . . ?
B6' C2' B11' B7' -142.9(5) . . . . ?
B6' C2' B11' B10' -40.1(5) . . . . ?
B6' C2' B11' B12' -101.7(5) . . . . ?
B6' B5' B9' B4' 100.2(5) . . . . ?
B6' B5' B9' B8' 62.9(6) . . . . ?
B6' B5' B9' B10' -36.4(5) . . . . ?
B6' B5' B9' B12' -0.5(6) . . . . ?
B6' B5' B10' B9' 138.8(5) . . . . ?
B6' B5' B10' B11' 39.7(5) . . . . ?
B6' B5' B10' B12' 103.3(6) . . . . ?
B6' B10' B11' C2' 40.5(4) . . . . ?
B6' B10' B11' B7' 101.1(5) . . . . ?
B6' B10' B11' B12' 139.5(5) . . . . ?
B6' B10' B12' B7' 0.5(7) . . . . ?
B6' B10' B12' B8' 61.1(7) . . . . ?
B6' B10' B12' B9' 99.6(6) . . . . ?
B6' B10' B12' B11' -37.0(5) . . . . ?
B6' B11' B12' B7' -102.0(5) . . . . ?
B6' B11' B12' B8' -67.9(6) . . . . ?
B6' B11' B12' B9' -4.0(6) . . . . ?
B6' B11' B12' B10' 35.6(4) . . . . ?
B7' C2' B3' C1' -136.8(5) . . . . ?
B7' C2' B3' Ru1 132.0(5) . . . . ?
B7' C2' B3' B4' -100.4(5) . . . . ?
B7' C2' B3' B8' -40.8(4) . . . . ?
B7' C2' B3' Ru1A 111.4(7) . . . . ?
B7' C2' B6' C1' 102.1(5) . . . . ?
B7' C2' B6' B5' 65.9(6) . . . . ?
B7' C2' B6' B10' 3.5(7) . . . . ?
B7' C2' B6' B11' -37.0(5) . . . . ?
B7' C2' B11' B6' 142.9(5) . . . . ?
B7' C2' B11' B10' 102.8(5) . . . . ?
B7' C2' B11' B12' 41.1(5) . . . . ?
B7' B3' B4' C1' -90.5(5) . . . . ?
B7' B3' B4' B5' -60.1(6) . . . . ?
B7' B3' B4' B8' 38.5(4) . . . . ?
B7' B3' B4' B9' 5.7(6) . . . . ?
B7' B3' B8' B4' -133.6(5) . . . . ?
B7' B3' B8' B9' -101.5(5) . . . . ?
B7' B3' B8' B12' -36.5(5) . . . . ?
B7' B3' Ru1A P1 40.1(6) . . . . ?
B7' B3' Ru1A Ru1 132.3(5) . . . . ?
B7' B3' Ru1A P2 -109.5(6) . . . . ?
B7' B8' B9' B4' -98.8(5) . . . . ?
B7' B8' B9' B5' -61.1(6) . . . . ?
B7' B8' B9' B10' 2.2(6) . . . . ?
B7' B8' B9' B12' 39.6(4) . . . . ?
B7' B8' B12' B9' -137.5(4) . . . . ?
B7' B8' B12' B10' -98.5(5) . . . . ?
B7' B8' B12' B11' -35.0(5) . . . . ?
B7' B11' B12' B8' 34.1(4) . . . . ?
B7' B11' B12' B9' 98.0(5) . . . . ?
B7' B11' B12' B10' 137.6(5) . . . . ?
B8' B3' B4' C1' -129.0(5) . . . . ?
B8' B3' B4' B5' -98.6(5) . . . . ?
B8' B3' B4' B9' -32.8(4) . . . . ?
B8' B3' B7' C2' 129.5(5) . . . . ?
B8' B3' B7' B11' 99.1(5) . . . . ?
B8' B3' B7' B12' 34.5(4) . . . . ?
B8' B3' Ru1A P1 112.2(5) . . . . ?
B8' B3' Ru1A Ru1 -155.5(4) . . . . ?
B8' B3' Ru1A P2 -37.3(8) . . . . ?
B8' B4' B5' C1' -97.3(5) . . . . ?
B8' B4' B5' B6' -63.3(6) . . . . ?
B8' B4' B5' B9' 37.6(4) . . . . ?
B8' B4' B5' B10' -1.4(6) . . . . ?
B8' B4' B9' B5' -138.5(5) . . . . ?
B8' B4' B9' B10' -99.8(5) . . . . ?
B8' B4' B9' B12' -37.1(4) . . . . ?
B8' B7' B11' C2' 97.7(5) . . . . ?
B8' B7' B11' B6' 64.4(6) . . . . ?
B8' B7' B11' B10' 2.0(6) . . . . ?
B8' B7' B11' B12' -35.7(4) . . . . ?
B8' B7' B12' B9' 37.7(4) . . . . ?
B8' B7' B12' B10' 102.4(5) . . . . ?
B8' B7' B12' B11' 140.2(5) . . . . ?
B8' B9' B10' B5' -102.2(5) . . . . ?
B8' B9' B10' B6' -65.1(6) . . . . ?
B8' B9' B10' B11' -0.9(6) . . . . ?
B8' B9' B10' B12' 37.5(4) . . . . ?
B8' B9' B12' B7' -36.2(4) . . . . ?
B8' B9' B12' B10' -137.6(5) . . . . ?
B8' B9' B12' B11' -98.7(5) . . . . ?
B9' B4' B5' C1' -134.8(5) . . . . ?
B9' B4' B5' B6' -100.9(5) . . . . ?
B9' B4' B5' B10' -39.0(5) . . . . ?
B9' B4' B8' B3' 144.9(5) . . . . ?
B9' B4' B8' B7' 102.9(5) . . . . ?
B9' B4' B8' B12' 36.8(4) . . . . ?
B9' B5' B6' C1' -96.1(5) . . . . ?
B9' B5' B6' C2' -61.1(5) . . . . ?
B9' B5' B6' B10' 37.3(5) . . . . ?
B9' B5' B6' B11' -1.9(6) . . . . ?
B9' B5' B10' B6' -138.8(5) . . . . ?
B9' B5' B10' B11' -99.0(5) . . . . ?
B9' B5' B10' B12' -35.4(5) . . . . ?
B9' B8' B12' B7' 137.5(4) . . . . ?
B9' B8' B12' B10' 39.0(5) . . . . ?
B9' B8' B12' B11' 102.5(5) . . . . ?
B9' B10' B11' C2' -61.2(5) . . . . ?
B9' B10' B11' B6' -101.7(5) . . . . ?
B9' B10' B11' B7' -0.6(6) . . . . ?
B9' B10' B11' B12' 37.9(4) . . . . ?
B9' B10' B12' B7' -99.2(5) . . . . ?
B9' B10' B12' B8' -38.5(4) . . . . ?
B9' B10' B12' B11' -136.6(5) . . . . ?
B10' B5' B6' C1' -133.5(5) . . . . ?
B10' B5' B6' C2' -98.4(5) . . . . ?
B10' B5' B6' B11' -39.3(4) . . . . ?
B10' B5' B9' B4' 136.6(5) . . . . ?
B10' B5' B9' B8' 99.3(5) . . . . ?
B10' B5' B9' B12' 35.9(5) . . . . ?
B10' B6' B11' C2' -133.2(5) . . . . ?
B10' B6' B11' B7' -100.5(5) . . . . ?
B10' B6' B11' B12' -35.9(5) . . . . ?
B10' B9' B12' B7' 101.4(5) . . . . ?
B10' B9' B12' B8' 137.6(5) . . . . ?
B10' B9' B12' B11' 38.9(5) . . . . ?
B10' B11' B12' B7' -137.6(5) . . . . ?
B10' B11' B12' B8' -103.5(5) . . . . ?
B10' B11' B12' B9' -39.6(5) . . . . ?
B11' C2' B3' C1' -103.5(5) . . . . ?
B11' C2' B3' Ru1 165.3(4) . . . . ?
B11' C2' B3' B4' -67.1(6) . . . . ?
B11' C2' B3' B7' 33.3(5) . . . . ?
B11' C2' B3' B8' -7.5(6) . . . . ?
B11' C2' B3' Ru1A 144.7(6) . . . . ?
B11' C2' B6' C1' 139.2(5) . . . . ?
B11' C2' B6' B5' 102.9(5) . . . . ?
B11' C2' B6' B10' 40.5(5) . . . . ?
B11' C2' B7' B3' -146.9(5) . . . . ?
B11' C2' B7' B8' -102.2(5) . . . . ?
B11' C2' B7' B12' -40.0(5) . . . . ?
B11' B6' B10' B5' 135.9(5) . . . . ?
B11' B6' B10' B9' 99.4(5) . . . . ?
B11' B6' B10' B12' 36.8(5) . . . . ?
B11' B7' B8' B3' -106.8(5) . . . . ?
B11' B7' B8' B4' -65.6(6) . . . . ?
B11' B7' B8' B9' -2.6(6) . . . . ?
B11' B7' B8' B12' 35.5(4) . . . . ?
B11' B7' B12' B8' -140.2(5) . . . . ?
B11' B7' B12' B9' -102.5(5) . . . . ?
B11' B7' B12' B10' -37.8(5) . . . . ?
B11' B10' B12' B7' 37.5(5) . . . . ?
B11' B10' B12' B8' 98.1(5) . . . . ?
B11' B10' B12' B9' 136.6(5) . . . . ?
B12' B7' B8' B3' -142.3(5) . . . . ?
B12' B7' B8' B4' -101.1(5) . . . . ?
B12' B7' B8' B9' -38.1(4) . . . . ?
B12' B7' B11' C2' 133.5(5) . . . . ?
B12' B7' B11' B6' 100.1(5) . . . . ?
B12' B7' B11' B10' 37.7(4) . . . . ?
B12' B8' B9' B4' -138.4(5) . . . . ?
B12' B8' B9' B5' -100.7(5) . . . . ?
B12' B8' B9' B10' -37.3(4) . . . . ?
B12' B9' B10' B5' -139.7(5) . . . . ?
B12' B9' B10' B6' -102.6(6) . . . . ?
B12' B9' B10' B11' -38.5(4) . . . . ?
B12' B10' B11' C2' -99.0(5) . . . . ?
B12' B10' B11' B6' -139.5(5) . . . . ?
B12' B10' B11' B7' -38.5(4) . . . . ?
C101 P1 C111 C112 -163.8(4) . . . . ?
C101 P1 C111 C116 15.9(5) . . . . ?
C101 P1 C121 C122 69.1(4) . . . . ?
C101 P1 C121 C126 -115.4(4) . . . . ?
C101 C102 C103 C104 0.5(8) . . . . ?
C102 C101 C106 C105 1.5(8) . . . . ?
C102 C103 C104 C105 0.6(8) . . . . ?
C103 C104 C105 C106 -0.7(8) . . . . ?
C104 C105 C106 C101 -0.4(8) . . . . ?
C106 C101 C102 C103 -1.6(8) . . . . ?
C111 P1 C101 C102 -106.3(4) . . . . ?
C111 P1 C101 C106 74.2(5) . . . . ?
C111 P1 C121 C122 -36.6(4) . . . . ?
C111 P1 C121 C126 138.9(4) . . . . ?
C111 C112 C113 C114 -0.6(8) . . . . ?
C112 C111 C116 C115 -1.5(8) . . . . ?
C112 C113 C114 C115 -0.3(8) . . . . ?
C113 C114 C115 C116 0.3(8) . . . . ?
C114 C115 C116 C111 0.6(8) . . . . ?
C116 C111 C112 C113 1.5(8) . . . . ?
C121 P1 C101 C102 149.3(4) . . . . ?
C121 P1 C101 C106 -30.1(5) . . . . ?
C121 P1 C111 C112 -53.7(4) . . . . ?
C121 P1 C111 C116 126.0(4) . . . . ?
C121 C122 C123 C124 -2.2(7) . . . . ?
C122 C121 C126 C125 -0.6(7) . . . . ?
C122 C123 C124 C125 0.3(8) . . . . ?
C123 C124 C125 C126 1.4(8) . . . . ?
C124 C125 C126 C121 -1.2(8) . . . . ?
C126 C121 C122 C123 2.4(7) . . . . ?
C201 P2 C211 C212 178.7(4) . . . . ?
C201 P2 C211 C216 1.9(5) . . . . ?
C201 P2 C221 C222 78.3(4) . . . . ?
C201 P2 C221 C226 -101.7(4) . . . . ?
C201 C202 C203 C204 -0.6(8) . . . . ?
C202 C201 C206 C205 -0.2(7) . . . . ?
C202 C203 C204 C205 -1.0(8) . . . . ?
C203 C204 C205 C206 1.9(8) . . . . ?
C204 C205 C206 C201 -1.3(8) . . . . ?
C206 C201 C202 C203 1.1(7) . . . . ?
C211 P2 C201 C202 -117.3(4) . . . . ?
C211 P2 C201 C206 63.2(4) . . . . ?
C211 P2 C221 C222 -177.0(4) . . . . ?
C211 P2 C221 C226 3.0(5) . . . . ?
C211 C212 C213 C214 -1.6(8) . . . . ?
C212 C211 C216 C215 1.6(7) . . . . ?
C212 C213 C214 C215 1.9(8) . . . . ?
C213 C214 C215 C216 -0.5(8) . . . . ?
C214 C215 C216 C211 -1.3(8) . . . . ?
C216 C211 C212 C213 -0.2(8) . . . . ?
C221 P2 C201 C202 -13.6(5) . . . . ?
C221 P2 C201 C206 167.0(4) . . . . ?
C221 P2 C211 C212 73.3(4) . . . . ?
C221 P2 C211 C216 -103.5(4) . . . . ?
C221 C222 C223 C224 -0.1(8) . . . . ?
C222 C221 C226 C225 1.0(8) . . . . ?
C222 C223 C224 C225 1.1(8) . . . . ?
C223 C224 C225 C226 -1.0(9) . . . . ?
C224 C225 C226 C221 0.0(9) . . . . ?
C226 C221 C222 C223 -1.0(7) . . . . ?
C1 C1' C2' B3' 99.5(5) . . . . ?
C1 C1' C2' B6' -111.3(5) . . . . ?
C1 C1' C2' B7' 140.0(5) . . . . ?
C1 C1' C2' B11' -150.4(5) . . . . ?
C1 C1' B3' Ru1 2.5(5) . . . . ?
C1 C1' B3' C2' -110.1(5) . . . . ?
C1 C1' B3' B4' 115.1(5) . . . . ?
C1 C1' B3' B7' -144.8(4) . . . . ?
C1 C1' B3' B8' 157.6(4) . . . . ?
C1 C1' B3' Ru1A 6.9(8) . . . . ?
C1 C1' B4' B3' -96.0(5) . . . . ?
C1 C1' B4' B5' 116.9(5) . . . . ?
C1 C1' B4' B8' -140.6(4) . . . . ?
C1 C1' B4' B9' 156.3(4) . . . . ?
C1 C1' B5' B4' -110.0(5) . . . . ?
C1 C1' B5' B6' 108.2(5) . . . . ?
C1 C1' B5' B9' -148.9(5) . . . . ?
C1 C1' B5' B10' 148.0(5) . . . . ?
C1 C1' B6' C2' 105.8(5) . . . . ?
C1 C1' B6' B5' -117.0(5) . . . . ?
C1 C1' B6' B10' -157.8(5) . . . . ?
C1 C1' B6' B11' 140.1(5) . . . . ?
C1 B2 B3 Ru1 115.9(3) . . . . ?
C1 B2 B3 B4 -33.5(4) . . . . ?
C1 B2 B3 B7 -137.2(4) . . . . ?
C1 B2 B3 B8 -99.7(5) . . . . ?
C1 B2 C3 Ru1 115.9(3) . . . . ?
C1 B2 C3 B4 -33.5(4) . . . . ?
C1 B2 C3 B7 -137.2(4) . . . . ?
C1 B2 C3 B8 -99.7(5) . . . . ?
C1 B2 B6 B5 35.0(4) . . . . ?
C1 B2 B6 B10 96.8(5) . . . . ?
C1 B2 B6 B11 137.8(5) . . . . ?
C1 B2 B7 B3 38.8(4) . . . . ?
C1 B2 B7 C3 38.8(4) . . . . ?
C1 B2 B7 B8 2.0(6) . . . . ?
C1 B2 B7 B11 -100.2(5) . . . . ?
C1 B2 B7 B12 -62.8(6) . . . . ?
C1 B2 B11 B6 -37.1(4) . . . . ?
C1 B2 B11 B7 102.3(5) . . . . ?
C1 B2 B11 B10 3.8(6) . . . . ?
C1 B2 B11 B12 65.5(6) . . . . ?
C1 B3 B4 B5 -34.2(4) . . . . ?
C1 B3 B4 B8 -134.3(5) . . . . ?
C1 B3 B4 B9 -96.6(5) . . . . ?
C1 B3 B7 B2 -37.7(4) . . . . ?
C1 B3 B7 B8 100.7(5) . . . . ?
C1 B3 B7 B11 -2.1(6) . . . . ?
C1 B3 B7 B12 60.4(6) . . . . ?
C1 B3 B8 B4 40.7(4) . . . . ?
C1 B3 B8 B7 -100.4(5) . . . . ?
C1 B3 B8 B9 2.1(6) . . . . ?
C1 B3 B8 B12 -61.9(6) . . . . ?
C1 C3 B4 B5 -34.2(4) . . . . ?
C1 C3 B4 B8 -134.3(5) . . . . ?
C1 C3 B4 B9 -96.6(5) . . . . ?
C1 C3 B7 B2 -37.7(4) . . . . ?
C1 C3 B7 B8 100.7(5) . . . . ?
C1 C3 B7 B11 -2.1(6) . . . . ?
C1 C3 B7 B12 60.4(6) . . . . ?
C1 C3 B8 B4 40.7(4) . . . . ?
C1 C3 B8 B7 -100.4(5) . . . . ?
C1 C3 B8 B9 2.1(6) . . . . ?
C1 C3 B8 B12 -61.9(6) . . . . ?
C1 B4 B5 B6 -33.2(4) . . . . ?
C1 B4 B5 B9 -133.3(5) . . . . ?
C1 B4 B5 B10 -97.0(5) . . . . ?
C1 B4 B8 B3 -39.0(4) . . . . ?
C1 B4 B8 C3 -39.0(4) . . . . ?
C1 B4 B8 B7 -3.7(6) . . . . ?
C1 B4 B8 B9 97.6(5) . . . . ?
C1 B4 B8 B12 59.1(6) . . . . ?
C1 B4 B9 B5 39.2(4) . . . . ?
C1 B4 B9 B8 -98.2(5) . . . . ?
C1 B4 B9 B10 2.2(6) . . . . ?
C1 B4 B9 B12 -60.4(6) . . . . ?
C1 B5 B6 B2 -35.2(4) . . . . ?
C1 B5 B6 B10 -134.8(5) . . . . ?
C1 B5 B6 B11 -97.6(5) . . . . ?
C1 B5 B9 B4 -41.0(4) . . . . ?
C1 B5 B9 B8 -2.8(6) . . . . ?
C1 B5 B9 B10 97.9(5) . . . . ?
C1 B5 B9 B12 60.5(6) . . . . ?
C1 B5 B10 B6 38.4(4) . . . . ?
C1 B5 B10 B9 -99.8(5) . . . . ?
C1 B5 B10 B11 2.6(6) . . . . ?
C1 B5 B10 B12 -60.3(6) . . . . ?
C1 B6 B10 B5 -38.3(4) . . . . ?
C1 B6 B10 B9 -0.5(6) . . . . ?
C1 B6 B10 B11 100.8(5) . . . . ?
C1 B6 B10 B12 65.1(6) . . . . ?
C1 B6 B11 B2 36.5(4) . . . . ?
C1 B6 B11 B7 0.4(6) . . . . ?
C1 B6 B11 B10 -97.4(5) . . . . ?
C1 B6 B11 B12 -61.5(6) . . . . ?
B2 Ru1 Ru1A P1 97.3(2) . . . . ?
B2 Ru1 Ru1A P2 -157.9(2) . . . . ?
B2 Ru1 Ru1A B3' -14.8(5) . . . . ?
B2 C1 B3 Ru1 -50.7(3) . . . . ?
B2 C1 B3 B4 143.3(5) . . . . ?
B2 C1 B3 B7 38.6(4) . . . . ?
B2 C1 B3 B8 101.8(5) . . . . ?
B2 C1 C3 Ru1 -50.7(3) . . . . ?
B2 C1 C3 B4 143.3(5) . . . . ?
B2 C1 C3 B7 38.6(4) . . . . ?
B2 C1 C3 B8 101.8(5) . . . . ?
B2 C1 B4 B3 -33.9(4) . . . . ?
B2 C1 B4 C3 -33.9(4) . . . . ?
B2 C1 B4 B5 106.4(5) . . . . ?
B2 C1 B4 B8 5.0(6) . . . . ?
B2 C1 B4 B9 66.1(5) . . . . ?
B2 C1 B5 B4 -102.8(5) . . . . ?
B2 C1 B5 B6 39.3(4) . . . . ?
B2 C1 B5 B9 -61.7(6) . . . . ?
B2 C1 B5 B10 -0.3(6) . . . . ?
B2 C1 B6 B5 -139.3(4) . . . . ?
B2 C1 B6 B10 -100.4(5) . . . . ?
B2 C1 B6 B11 -37.0(4) . . . . ?
B2 B3 B4 C1 33.0(4) . . . . ?
B2 B3 B4 B5 -1.1(6) . . . . ?
B2 B3 B4 B8 -101.3(5) . . . . ?
B2 B3 B4 B9 -63.6(6) . . . . ?
B2 B3 B7 B8 138.3(5) . . . . ?
B2 B3 B7 B11 35.6(4) . . . . ?
B2 B3 B7 B12 98.1(5) . . . . ?
B2 B3 B8 B4 103.2(5) . . . . ?
B2 B3 B8 B7 -37.9(5) . . . . ?
B2 B3 B8 B9 64.6(6) . . . . ?
B2 B3 B8 B12 0.6(6) . . . . ?
B2 C3 B4 C1 33.0(4) . . . . ?
B2 C3 B4 B5 -1.1(6) . . . . ?
B2 C3 B4 B8 -101.3(5) . . . . ?
B2 C3 B4 B9 -63.6(6) . . . . ?
B2 C3 B7 B8 138.3(5) . . . . ?
B2 C3 B7 B11 35.6(4) . . . . ?
B2 C3 B7 B12 98.1(5) . . . . ?
B2 C3 B8 B4 103.2(5) . . . . ?
B2 C3 B8 B7 -37.9(5) . . . . ?
B2 C3 B8 B9 64.6(6) . . . . ?
B2 C3 B8 B12 0.6(6) . . . . ?
B2 B6 B10 B5 -98.9(5) . . . . ?
B2 B6 B10 B9 -61.1(6) . . . . ?
B2 B6 B10 B11 40.2(5) . . . . ?
B2 B6 B10 B12 4.5(6) . . . . ?
B2 B6 B11 B7 -36.0(4) . . . . ?
B2 B6 B11 B10 -133.9(5) . . . . ?
B2 B6 B11 B12 -98.0(5) . . . . ?
B2 B7 B8 B3 36.1(4) . . . . ?
B2 B7 B8 C3 36.1(4) . . . . ?
B2 B7 B8 B4 1.2(6) . . . . ?
B2 B7 B8 B9 -63.0(6) . . . . ?
B2 B7 B8 B12 -99.7(5) . . . . ?
B2 B7 B11 B6 36.5(4) . . . . ?
B2 B7 B11 B10 100.1(5) . . . . ?
B2 B7 B11 B12 137.3(5) . . . . ?
B2 B7 B12 B8 100.4(5) . . . . ?
B2 B7 B12 B9 65.1(6) . . . . ?
B2 B7 B12 B10 2.6(7) . . . . ?
B2 B7 B12 B11 -37.0(4) . . . . ?
B2 B11 B12 B7 37.2(4) . . . . ?
B2 B11 B12 B8 -0.5(6) . . . . ?
B2 B11 B12 B9 -62.9(6) . . . . ?
B2 B11 B12 B10 -100.0(5) . . . . ?
B3 C1 B2 Ru1 65.2(4) . . . . ?
B3 C1 B2 B6 -142.2(5) . . . . ?
B3 C1 B2 B7 -38.7(4) . . . . ?
B3 C1 B2 B11 -104.6(5) . . . . ?
B3 C1 B4 B5 140.4(5) . . . . ?
B3 C1 B4 B8 39.0(4) . . . . ?
B3 C1 B4 B9 100.0(5) . . . . ?
B3 C1 B5 B4 -36.9(5) . . . . ?
B3 C1 B5 B6 105.2(5) . . . . ?
B3 C1 B5 B9 4.3(6) . . . . ?
B3 C1 B5 B10 65.7(6) . . . . ?
B3 C1 B6 B2 35.2(4) . . . . ?
B3 C1 B6 B5 -104.1(5) . . . . ?
B3 C1 B6 B10 -65.2(6) . . . . ?
B3 C1 B6 B11 -1.8(7) . . . . ?
B3 B2 B6 C1 -34.7(4) . . . . ?
B3 B2 B6 B5 0.3(6) . . . . ?
B3 B2 B6 B10 62.2(6) . . . . ?
B3 B2 B6 B11 103.2(5) . . . . ?
B3 B2 B7 B8 -36.8(5) . . . . ?
B3 B2 B7 B11 -138.9(5) . . . . ?
B3 B2 B7 B12 -101.5(5) . . . . ?
B3 B2 B11 B6 -101.7(5) . . . . ?
B3 B2 B11 B7 37.8(4) . . . . ?
B3 B2 B11 B10 -60.8(6) . . . . ?
B3 B2 B11 B12 0.9(6) . . . . ?
B3 B4 B5 C1 34.6(4) . . . . ?
B3 B4 B5 B6 1.3(6) . . . . ?
B3 B4 B5 B9 -98.7(5) . . . . ?
B3 B4 B5 B10 -62.4(6) . . . . ?
B3 B4 B8 B7 35.3(5) . . . . ?
B3 B4 B8 B9 136.6(5) . . . . ?
B3 B4 B8 B12 98.1(5) . . . . ?
B3 B4 B9 B5 100.0(5) . . . . ?
B3 B4 B9 B8 -37.5(4) . . . . ?
B3 B4 B9 B10 62.9(6) . . . . ?
B3 B4 B9 B12 0.4(6) . . . . ?
B3 B7 B8 B4 -35.0(5) . . . . ?
B3 B7 B8 B9 -99.1(5) . . . . ?
B3 B7 B8 B12 -135.8(5) . . . . ?
B3 B7 B11 B2 -35.5(4) . . . . ?
B3 B7 B11 B6 1.0(6) . . . . ?
B3 B7 B11 B10 64.6(5) . . . . ?
B3 B7 B11 B12 101.8(5) . . . . ?
B3 B7 B12 B8 39.3(4) . . . . ?
B3 B7 B12 B9 3.9(6) . . . . ?
B3 B7 B12 B10 -58.5(7) . . . . ?
B3 B7 B12 B11 -98.2(5) . . . . ?
B3 B8 B9 B4 38.2(5) . . . . ?
B3 B8 B9 B5 0.4(6) . . . . ?
B3 B8 B9 B10 -63.4(6) . . . . ?
B3 B8 B9 B12 -99.5(5) . . . . ?
B3 B8 B12 B7 -39.1(4) . . . . ?
B3 B8 B12 B9 100.7(5) . . . . ?
B3 B8 B12 B10 64.9(6) . . . . ?
B3 B8 B12 B11 0.0(6) . . . . ?
C3 Ru1 Ru1A P1 149.31(19) . . . . ?
C3 Ru1 Ru1A P2 -105.87(19) . . . . ?
C3 Ru1 Ru1A B3' 37.2(4) . . . . ?
C3 C1 B2 Ru1 65.2(4) . . . . ?
C3 C1 B2 B6 -142.2(5) . . . . ?
C3 C1 B2 B7 -38.7(4) . . . . ?
C3 C1 B2 B11 -104.6(5) . . . . ?
C3 C1 B4 B5 140.4(5) . . . . ?
C3 C1 B4 B8 39.0(4) . . . . ?
C3 C1 B4 B9 100.0(5) . . . . ?
C3 C1 B5 B4 -36.9(5) . . . . ?
C3 C1 B5 B6 105.2(5) . . . . ?
C3 C1 B5 B9 4.3(6) . . . . ?
C3 C1 B5 B10 65.7(6) . . . . ?
C3 C1 B6 B2 35.2(4) . . . . ?
C3 C1 B6 B5 -104.1(5) . . . . ?
C3 C1 B6 B10 -65.2(6) . . . . ?
C3 C1 B6 B11 -1.8(7) . . . . ?
C3 B2 B6 C1 -34.7(4) . . . . ?
C3 B2 B6 B5 0.3(6) . . . . ?
C3 B2 B6 B10 62.2(6) . . . . ?
C3 B2 B6 B11 103.2(5) . . . . ?
C3 B2 B7 B8 -36.8(5) . . . . ?
C3 B2 B7 B11 -138.9(5) . . . . ?
C3 B2 B7 B12 -101.5(5) . . . . ?
C3 B2 B11 B6 -101.7(5) . . . . ?
C3 B2 B11 B7 37.8(4) . . . . ?
C3 B2 B11 B10 -60.8(6) . . . . ?
C3 B2 B11 B12 0.9(6) . . . . ?
C3 B4 B5 C1 34.6(4) . . . . ?
C3 B4 B5 B6 1.3(6) . . . . ?
C3 B4 B5 B9 -98.7(5) . . . . ?
C3 B4 B5 B10 -62.4(6) . . . . ?
C3 B4 B8 B7 35.3(5) . . . . ?
C3 B4 B8 B9 136.6(5) . . . . ?
C3 B4 B8 B12 98.1(5) . . . . ?
C3 B4 B9 B5 100.0(5) . . . . ?
C3 B4 B9 B8 -37.5(4) . . . . ?
C3 B4 B9 B10 62.9(6) . . . . ?
C3 B4 B9 B12 0.4(6) . . . . ?
C3 B7 B8 B4 -35.0(5) . . . . ?
C3 B7 B8 B9 -99.1(5) . . . . ?
C3 B7 B8 B12 -135.8(5) . . . . ?
C3 B7 B11 B2 -35.5(4) . . . . ?
C3 B7 B11 B6 1.0(6) . . . . ?
C3 B7 B11 B10 64.6(5) . . . . ?
C3 B7 B11 B12 101.8(5) . . . . ?
C3 B7 B12 B8 39.3(4) . . . . ?
C3 B7 B12 B9 3.9(6) . . . . ?
C3 B7 B12 B10 -58.5(7) . . . . ?
C3 B7 B12 B11 -98.2(5) . . . . ?
C3 B8 B9 B4 38.2(5) . . . . ?
C3 B8 B9 B5 0.4(6) . . . . ?
C3 B8 B9 B10 -63.4(6) . . . . ?
C3 B8 B9 B12 -99.5(5) . . . . ?
C3 B8 B12 B7 -39.1(4) . . . . ?
C3 B8 B12 B9 100.7(5) . . . . ?
C3 B8 B12 B10 64.9(6) . . . . ?
C3 B8 B12 B11 0.0(6) . . . . ?
B4 C1 B2 Ru1 99.4(4) . . . . ?
B4 C1 B2 B3 34.2(4) . . . . ?
B4 C1 B2 C3 34.2(4) . . . . ?
B4 C1 B2 B6 -108.0(5) . . . . ?
B4 C1 B2 B7 -4.5(6) . . . . ?
B4 C1 B2 B11 -70.4(6) . . . . ?
B4 C1 B3 Ru1 166.0(4) . . . . ?
B4 C1 B3 B2 -143.3(5) . . . . ?
B4 C1 B3 B7 -104.8(5) . . . . ?
B4 C1 B3 B8 -41.5(5) . . . . ?
B4 C1 C3 Ru1 166.0(4) . . . . ?
B4 C1 C3 B2 -143.3(5) . . . . ?
B4 C1 C3 B7 -104.8(5) . . . . ?
B4 C1 C3 B8 -41.5(5) . . . . ?
B4 C1 B5 B6 142.1(5) . . . . ?
B4 C1 B5 B9 41.2(4) . . . . ?
B4 C1 B5 B10 102.6(5) . . . . ?
B4 C1 B6 B2 102.4(5) . . . . ?
B4 C1 B6 B5 -36.9(5) . . . . ?
B4 C1 B6 B10 2.1(6) . . . . ?
B4 C1 B6 B11 65.5(6) . . . . ?
B4 B3 B7 B2 -101.9(5) . . . . ?
B4 B3 B7 B8 36.4(5) . . . . ?
B4 B3 B7 B11 -66.3(6) . . . . ?
B4 B3 B7 B12 -3.8(7) . . . . ?
B4 B3 B8 B7 -141.1(5) . . . . ?
B4 B3 B8 B9 -38.6(5) . . . . ?
B4 B3 B8 B12 -102.6(5) . . . . ?
B4 C3 B7 B2 -101.9(5) . . . . ?
B4 C3 B7 B8 36.4(5) . . . . ?
B4 C3 B7 B11 -66.3(6) . . . . ?
B4 C3 B7 B12 -3.8(7) . . . . ?
B4 C3 B8 B7 -141.1(5) . . . . ?
B4 C3 B8 B9 -38.6(5) . . . . ?
B4 C3 B8 B12 -102.6(5) . . . . ?
B4 B5 B6 C1 34.1(4) . . . . ?
B4 B5 B6 B2 -1.0(6) . . . . ?
B4 B5 B6 B10 -100.7(5) . . . . ?
B4 B5 B6 B11 -63.5(6) . . . . ?
B4 B5 B9 B8 38.2(4) . . . . ?
B4 B5 B9 B10 138.9(5) . . . . ?
B4 B5 B9 B12 101.5(5) . . . . ?
B4 B5 B10 B6 101.3(5) . . . . ?
B4 B5 B10 B9 -36.9(4) . . . . ?
B4 B5 B10 B11 65.5(6) . . . . ?
B4 B5 B10 B12 2.5(6) . . . . ?
B4 B8 B9 B5 -37.8(5) . . . . ?
B4 B8 B9 B10 -101.6(5) . . . . ?
B4 B8 B9 B12 -137.7(5) . . . . ?
B4 B8 B12 B7 -101.7(5) . . . . ?
B4 B8 B12 B9 38.1(4) . . . . ?
B4 B8 B12 B10 2.3(6) . . . . ?
B4 B8 B12 B11 -62.6(6) . . . . ?
B4 B9 B10 B5 36.7(4) . . . . ?
B4 B9 B10 B6 -1.1(6) . . . . ?
B4 B9 B10 B11 -63.2(6) . . . . ?
B4 B9 B10 B12 -100.6(5) . . . . ?
B4 B9 B12 B7 -2.6(7) . . . . ?
B4 B9 B12 B8 -38.1(5) . . . . ?
B4 B9 B12 B10 101.0(5) . . . . ?
B4 B9 B12 B11 62.8(6) . . . . ?
B5 C1 B2 Ru1 167.5(4) . . . . ?
B5 C1 B2 B3 102.2(5) . . . . ?
B5 C1 B2 C3 102.2(5) . . . . ?
B5 C1 B2 B6 -39.9(5) . . . . ?
B5 C1 B2 B7 63.5(6) . . . . ?
B5 C1 B2 B11 -2.3(6) . . . . ?
B5 C1 B3 Ru1 -156.6(4) . . . . ?
B5 C1 B3 B2 -105.9(5) . . . . ?
B5 C1 B3 B4 37.4(5) . . . . ?
B5 C1 B3 B7 -67.4(6) . . . . ?
B5 C1 B3 B8 -4.1(6) . . . . ?
B5 C1 C3 Ru1 -156.6(4) . . . . ?
B5 C1 C3 B2 -105.9(5) . . . . ?
B5 C1 C3 B4 37.4(5) . . . . ?
B5 C1 C3 B7 -67.4(6) . . . . ?
B5 C1 C3 B8 -4.1(6) . . . . ?
B5 C1 B4 B3 -140.4(5) . . . . ?
B5 C1 B4 C3 -140.4(5) . . . . ?
B5 C1 B4 B8 -101.4(5) . . . . ?
B5 C1 B4 B9 -40.3(4) . . . . ?
B5 C1 B6 B2 139.3(4) . . . . ?
B5 C1 B6 B10 38.9(4) . . . . ?
B5 C1 B6 B11 102.3(5) . . . . ?
B5 B4 B8 B3 -98.9(5) . . . . ?
B5 B4 B8 C3 -98.9(5) . . . . ?
B5 B4 B8 B7 -63.6(6) . . . . ?
B5 B4 B8 B9 37.6(4) . . . . ?
B5 B4 B8 B12 -0.8(6) . . . . ?
B5 B4 B9 B8 -137.5(5) . . . . ?
B5 B4 B9 B10 -37.0(4) . . . . ?
B5 B4 B9 B12 -99.6(5) . . . . ?
B5 B6 B10 B9 37.8(5) . . . . ?
B5 B6 B10 B11 139.1(5) . . . . ?
B5 B6 B10 B12 103.4(6) . . . . ?
B5 B6 B11 B2 97.5(5) . . . . ?
B5 B6 B11 B7 61.4(6) . . . . ?
B5 B6 B11 B10 -36.4(5) . . . . ?
B5 B6 B11 B12 -0.5(7) . . . . ?
B5 B9 B10 B6 -37.8(5) . . . . ?
B5 B9 B10 B11 -99.9(5) . . . . ?
B5 B9 B10 B12 -137.3(5) . . . . ?
B5 B9 B12 B7 -65.6(6) . . . . ?
B5 B9 B12 B8 -101.1(5) . . . . ?
B5 B9 B12 B10 38.1(4) . . . . ?
B5 B9 B12 B11 -0.2(6) . . . . ?
B5 B10 B11 B2 -4.0(7) . . . . ?
B5 B10 B11 B6 36.7(5) . . . . ?
B5 B10 B11 B7 -65.8(6) . . . . ?
B5 B10 B11 B12 -102.8(6) . . . . ?
B5 B10 B12 B7 59.5(7) . . . . ?
B5 B10 B12 B8 -3.0(6) . . . . ?
B5 B10 B12 B9 -38.8(5) . . . . ?
B5 B10 B12 B11 99.3(5) . . . . ?
B6 C1 B2 Ru1 -152.6(4) . . . . ?
B6 C1 B2 B3 142.2(5) . . . . ?
B6 C1 B2 C3 142.2(5) . . . . ?
B6 C1 B2 B7 103.4(5) . . . . ?
B6 C1 B2 B11 37.6(4) . . . . ?
B6 C1 B3 Ru1 -86.8(4) . . . . ?
B6 C1 B3 B2 -36.1(5) . . . . ?
B6 C1 B3 B4 107.2(5) . . . . ?
B6 C1 B3 B7 2.5(6) . . . . ?
B6 C1 B3 B8 65.8(6) . . . . ?
B6 C1 C3 Ru1 -86.8(4) . . . . ?
B6 C1 C3 B2 -36.1(5) . . . . ?
B6 C1 C3 B4 107.2(5) . . . . ?
B6 C1 C3 B7 2.5(6) . . . . ?
B6 C1 C3 B8 65.8(6) . . . . ?
B6 C1 B4 B3 -102.7(5) . . . . ?
B6 C1 B4 C3 -102.7(5) . . . . ?
B6 C1 B4 B5 37.6(5) . . . . ?
B6 C1 B4 B8 -63.8(6) . . . . ?
B6 C1 B4 B9 -2.7(6) . . . . ?
B6 C1 B5 B4 -142.1(5) . . . . ?
B6 C1 B5 B9 -100.9(5) . . . . ?
B6 C1 B5 B10 -39.5(5) . . . . ?
B6 B2 B3 Ru1 150.0(4) . . . . ?
B6 B2 B3 C1 34.0(4) . . . . ?
B6 B2 B3 B4 0.5(6) . . . . ?
B6 B2 B3 B7 -103.1(5) . . . . ?
B6 B2 B3 B8 -65.6(6) . . . . ?
B6 B2 C3 Ru1 150.0(4) . . . . ?
B6 B2 C3 C1 34.0(4) . . . . ?
B6 B2 C3 B4 0.5(6) . . . . ?
B6 B2 C3 B7 -103.1(5) . . . . ?
B6 B2 C3 B8 -65.6(6) . . . . ?
B6 B2 B7 B3 101.8(5) . . . . ?
B6 B2 B7 C3 101.8(5) . . . . ?
B6 B2 B7 B8 65.1(6) . . . . ?
B6 B2 B7 B11 -37.1(5) . . . . ?
B6 B2 B7 B12 0.3(6) . . . . ?
B6 B2 B11 B7 139.4(5) . . . . ?
B6 B2 B11 B10 40.9(5) . . . . ?
B6 B2 B11 B12 102.6(5) . . . . ?
B6 B5 B9 B4 -101.6(5) . . . . ?
B6 B5 B9 B8 -63.4(6) . . . . ?
B6 B5 B9 B10 37.3(4) . . . . ?
B6 B5 B9 B12 -0.2(6) . . . . ?
B6 B5 B10 B9 -138.2(5) . . . . ?
B6 B5 B10 B11 -35.8(5) . . . . ?
B6 B5 B10 B12 -98.7(5) . . . . ?
B6 B10 B11 B2 -40.7(4) . . . . ?
B6 B10 B11 B7 -102.6(5) . . . . ?
B6 B10 B11 B12 -139.5(5) . . . . ?
B6 B10 B12 B7 -4.5(7) . . . . ?
B6 B10 B12 B8 -67.1(6) . . . . ?
B6 B10 B12 B9 -102.9(5) . . . . ?
B6 B10 B12 B11 35.2(5) . . . . ?
B6 B11 B12 B7 100.6(5) . . . . ?
B6 B11 B12 B8 62.8(6) . . . . ?
B6 B11 B12 B9 0.4(6) . . . . ?
B6 B11 B12 B10 -36.6(5) . . . . ?
B7 B2 B3 Ru1 -106.9(3) . . . . ?
B7 B2 B3 C1 137.2(4) . . . . ?
B7 B2 B3 B4 103.6(5) . . . . ?
B7 B2 B3 B8 37.5(4) . . . . ?
B7 B2 C3 Ru1 -106.9(3) . . . . ?
B7 B2 C3 C1 137.2(4) . . . . ?
B7 B2 C3 B4 103.6(5) . . . . ?
B7 B2 C3 B8 37.5(4) . . . . ?
B7 B2 B6 C1 -99.9(5) . . . . ?
B7 B2 B6 B5 -64.8(5) . . . . ?
B7 B2 B6 B10 -3.0(6) . . . . ?
B7 B2 B6 B11 38.0(5) . . . . ?
B7 B2 B11 B6 -139.4(5) . . . . ?
B7 B2 B11 B10 -98.5(5) . . . . ?
B7 B2 B11 B12 -36.9(4) . . . . ?
B7 B3 B4 C1 98.7(5) . . . . ?
B7 B3 B4 B5 64.5(6) . . . . ?
B7 B3 B4 B8 -35.7(5) . . . . ?
B7 B3 B4 B9 2.1(6) . . . . ?
B7 B3 B8 B4 141.1(5) . . . . ?
B7 B3 B8 B9 102.5(5) . . . . ?
B7 B3 B8 B12 38.5(4) . . . . ?
B7 C3 B4 C1 98.7(5) . . . . ?
B7 C3 B4 B5 64.5(6) . . . . ?
B7 C3 B4 B8 -35.7(5) . . . . ?
B7 C3 B4 B9 2.1(6) . . . . ?
B7 C3 B8 B4 141.1(5) . . . . ?
B7 C3 B8 B9 102.5(5) . . . . ?
B7 C3 B8 B12 38.5(4) . . . . ?
B7 B8 B9 B4 101.9(5) . . . . ?
B7 B8 B9 B5 64.0(6) . . . . ?
B7 B8 B9 B10 0.2(6) . . . . ?
B7 B8 B9 B12 -35.9(4) . . . . ?
B7 B8 B12 B9 139.8(5) . . . . ?
B7 B8 B12 B10 104.0(5) . . . . ?
B7 B8 B12 B11 39.0(5) . . . . ?
B7 B11 B12 B8 -37.7(4) . . . . ?
B7 B11 B12 B9 -100.2(5) . . . . ?
B7 B11 B12 B10 -137.2(5) . . . . ?
B8 B3 B4 C1 134.3(5) . . . . ?
B8 B3 B4 B5 100.2(5) . . . . ?
B8 B3 B4 B9 37.7(5) . . . . ?
B8 B3 B7 B2 -138.3(5) . . . . ?
B8 B3 B7 B11 -102.7(5) . . . . ?
B8 B3 B7 B12 -40.2(5) . . . . ?
B8 C3 B4 C1 134.3(5) . . . . ?
B8 C3 B4 B5 100.2(5) . . . . ?
B8 C3 B4 B9 37.7(5) . . . . ?
B8 C3 B7 B2 -138.3(5) . . . . ?
B8 C3 B7 B11 -102.7(5) . . . . ?
B8 C3 B7 B12 -40.2(5) . . . . ?
B8 B4 B5 C1 95.9(5) . . . . ?
B8 B4 B5 B6 62.7(5) . . . . ?
B8 B4 B5 B9 -37.3(4) . . . . ?
B8 B4 B5 B10 -1.0(6) . . . . ?
B8 B4 B9 B5 137.5(5) . . . . ?
B8 B4 B9 B10 100.4(5) . . . . ?
B8 B4 B9 B12 37.9(5) . . . . ?
B8 B7 B11 B2 -98.3(5) . . . . ?
B8 B7 B11 B6 -61.8(6) . . . . ?
B8 B7 B11 B10 1.8(6) . . . . ?
B8 B7 B11 B12 39.0(4) . . . . ?
B8 B7 B12 B9 -35.4(5) . . . . ?
B8 B7 B12 B10 -97.8(6) . . . . ?
B8 B7 B12 B11 -137.4(5) . . . . ?
B8 B9 B10 B5 100.8(5) . . . . ?
B8 B9 B10 B6 63.0(6) . . . . ?
B8 B9 B10 B11 1.0(6) . . . . ?
B8 B9 B10 B12 -36.5(4) . . . . ?
B8 B9 B12 B7 35.5(4) . . . . ?
B8 B9 B12 B10 139.2(5) . . . . ?
B8 B9 B12 B11 100.9(5) . . . . ?
B9 B4 B5 C1 133.3(5) . . . . ?
B9 B4 B5 B6 100.0(5) . . . . ?
B9 B4 B5 B10 36.3(4) . . . . ?
B9 B4 B8 B3 -136.6(5) . . . . ?
B9 B4 B8 C3 -136.6(5) . . . . ?
B9 B4 B8 B7 -101.3(5) . . . . ?
B9 B4 B8 B12 -38.5(5) . . . . ?
B9 B5 B6 C1 98.0(5) . . . . ?
B9 B5 B6 B2 62.9(5) . . . . ?
B9 B5 B6 B10 -36.8(5) . . . . ?
B9 B5 B6 B11 0.4(6) . . . . ?
B9 B5 B10 B6 138.2(5) . . . . ?
B9 B5 B10 B11 102.5(5) . . . . ?
B9 B5 B10 B12 39.5(5) . . . . ?
B9 B8 B12 B7 -139.8(5) . . . . ?
B9 B8 B12 B10 -35.8(5) . . . . ?
B9 B8 B12 B11 -100.7(5) . . . . ?
B9 B10 B11 B2 60.1(6) . . . . ?
B9 B10 B11 B6 100.9(5) . . . . ?
B9 B10 B11 B7 -1.7(6) . . . . ?
B9 B10 B11 B12 -38.7(5) . . . . ?
B9 B10 B12 B7 98.3(5) . . . . ?
B9 B10 B12 B8 35.8(5) . . . . ?
B9 B10 B12 B11 138.1(5) . . . . ?
B10 B5 B6 C1 134.8(5) . . . . ?
B10 B5 B6 B2 99.6(5) . . . . ?
B10 B5 B6 B11 37.2(5) . . . . ?
B10 B5 B9 B4 -138.9(5) . . . . ?
B10 B5 B9 B8 -100.7(5) . . . . ?
B10 B5 B9 B12 -37.5(4) . . . . ?
B10 B6 B11 B2 133.9(5) . . . . ?
B10 B6 B11 B7 97.8(5) . . . . ?
B10 B6 B11 B12 35.9(5) . . . . ?
B10 B9 B12 B7 -103.7(5) . . . . ?
B10 B9 B12 B8 -139.2(5) . . . . ?
B10 B9 B12 B11 -38.2(4) . . . . ?
B10 B11 B12 B7 137.2(5) . . . . ?
B10 B11 B12 B8 99.4(5) . . . . ?
B10 B11 B12 B9 37.0(4) . . . . ?
B11 B2 B3 Ru1 -145.4(5) . . . . ?
B11 B2 B3 C1 98.7(5) . . . . ?
B11 B2 B3 B4 65.2(6) . . . . ?
B11 B2 B3 B7 -38.4(5) . . . . ?
B11 B2 B3 B8 -0.9(6) . . . . ?
B11 B2 C3 Ru1 -145.4(5) . . . . ?
B11 B2 C3 C1 98.7(5) . . . . ?
B11 B2 C3 B4 65.2(6) . . . . ?
B11 B2 C3 B7 -38.4(5) . . . . ?
B11 B2 C3 B8 -0.9(6) . . . . ?
B11 B2 B6 C1 -137.8(5) . . . . ?
B11 B2 B6 B5 -102.8(5) . . . . ?
B11 B2 B6 B10 -41.0(4) . . . . ?
B11 B2 B7 B3 138.9(5) . . . . ?
B11 B2 B7 C3 138.9(5) . . . . ?
B11 B2 B7 B8 102.2(5) . . . . ?
B11 B2 B7 B12 37.4(5) . . . . ?
B11 B6 B10 B5 -139.1(5) . . . . ?
B11 B6 B10 B9 -101.3(5) . . . . ?
B11 B6 B10 B12 -35.7(5) . . . . ?
B11 B7 B8 B3 97.8(5) . . . . ?
B11 B7 B8 C3 97.8(5) . . . . ?
B11 B7 B8 B4 62.8(6) . . . . ?
B11 B7 B8 B9 -1.3(6) . . . . ?
B11 B7 B8 B12 -38.0(4) . . . . ?
B11 B7 B12 B8 137.4(5) . . . . ?
B11 B7 B12 B9 102.0(5) . . . . ?
B11 B7 B12 B10 39.6(5) . . . . ?
B11 B10 B12 B7 -39.8(5) . . . . ?
B11 B10 B12 B8 -102.3(5) . . . . ?
B11 B10 B12 B9 -138.1(5) . . . . ?
B12 B7 B8 B3 135.8(5) . . . . ?
B12 B7 B8 C3 135.8(5) . . . . ?
B12 B7 B8 B4 100.8(5) . . . . ?
B12 B7 B8 B9 36.7(4) . . . . ?
B12 B7 B11 B2 -137.3(5) . . . . ?
B12 B7 B11 B6 -100.8(5) . . . . ?
B12 B7 B11 B10 -37.2(4) . . . . ?
B12 B8 B9 B4 137.7(5) . . . . ?
B12 B8 B9 B5 99.9(5) . . . . ?
B12 B8 B9 B10 36.1(4) . . . . ?
B12 B9 B10 B5 137.3(5) . . . . ?
B12 B9 B10 B6 99.5(5) . . . . ?
B12 B9 B10 B11 37.5(4) . . . . ?
B12 B10 B11 B2 98.8(5) . . . . ?
B12 B10 B11 B6 139.5(5) . . . . ?
B12 B10 B11 B7 37.0(4) . . . . ?
Ru1A P1 C101 C102 13.8(4) . . . . ?
Ru1A P1 C101 C106 -165.6(4) . . . . ?
Ru1A P1 C111 C112 86.3(4) . . . . ?
Ru1A P1 C111 C116 -93.9(4) . . . . ?
Ru1A P1 C121 C122 -170.1(3) . . . . ?
Ru1A P1 C121 C126 5.4(5) . . . . ?
Ru1A P2 C201 C202 119.4(4) . . . . ?
Ru1A P2 C201 C206 -60.1(4) . . . . ?
Ru1A P2 C211 C212 -69.0(4) . . . . ?
Ru1A P2 C211 C216 114.2(4) . . . . ?
Ru1A P2 C221 C222 -39.1(5) . . . . ?
Ru1A P2 C221 C226 140.9(4) . . . . ?
Ru1A B3' B4' C1' 117.3(5) . . . . ?
Ru1A B3' B4' B5' 147.7(5) . . . . ?
Ru1A B3' B4' B8' -113.7(6) . . . . ?
Ru1A B3' B4' B9' -146.5(5) . . . . ?
Ru1A B3' B7' C2' -119.3(6) . . . . ?
Ru1A B3' B7' B8' 111.3(6) . . . . ?
Ru1A B3' B7' B11' -149.6(6) . . . . ?
Ru1A B3' B7' B12' 145.8(5) . . . . ?
Ru1A B3' B8' B4' 111.5(7) . . . . ?
Ru1A B3' B8' B7' -114.9(6) . . . . ?
Ru1A B3' B8' B9' 143.6(5) . . . . ?
Ru1A B3' B8' B12' -151.4(5) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5267
_database_code_depnum_ccdc_archive 'CCDC 1418093'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-07-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H35 B20 O3 P Ru, C H2 Cl2'
_chemical_formula_sum            'C26 H37 B20 Cl2 O3 P Ru'
_chemical_formula_weight         816.67
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.774(2)
_cell_length_b                   14.223(3)
_cell_length_c                   14.245(3)
_cell_angle_alpha                63.017(11)
_cell_angle_beta                 79.932(10)
_cell_angle_gamma                80.026(10)
_cell_volume                     1904.4(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7236
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      2.377
_shelx_estimated_absorpt_T_max   0.963
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.7035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0713 before and 0.0557 after correction.
The Ratio of minimum to maximum transmission is 0.9428.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_unetI/netI     0.0743
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46419
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.357
_diffrn_reflns_theta_min         2.377
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8834
_reflns_number_total             12119
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         12119
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0350P)²+0.0436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0920
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2. Shared sites
{B3', C3'}
{B2, C2}
{B3, C3}
{B2', C2'}
3. Uiso/Uaniso restraints and constraints
Cl1 \\sim Cl1A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
C1S \\sim C2S: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(B3') = Uanis(C3')
Uanis(B2) = Uanis(C2)
Uanis(B3) = Uanis(C3)
Uanis(B2') = Uanis(C2')
4. Others
 Sof(Cl1A)=Sof(Cl2A)=Sof(C2S)=Sof(H2SA)=Sof(H2SB)=1-FVAR(1)
 Sof(Cl1)=Sof(Cl2)=Sof(C1S)=Sof(H1SA)=Sof(H1SB)=FVAR(1)
 Sof(B2')=Sof(C3')=Sof(B2)=Sof(C3)=1-FVAR(2)
 Sof(C2')=Sof(B3')=Sof(C2)=Sof(B3)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C2S(H2SA,H2SB), C1S(H1SA,H1SB)
5.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C114(H114), C115(H115), C116(H116), C122(H122),
 C123(H123), C124(H124), C125(H125), C126(H126), C132(H132), C133(H133),
 C134(H134), C135(H135), C136(H136)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1' C -0.8166(2) -0.69190(19) -0.11475(17) 0.0210(5) Uani 1 1 d . . . . .
Ru1 Ru -0.73422(2) -0.66818(2) -0.36322(2) 0.01470(5) Uani 1 1 d . . . . .
B2' B -0.8973(2) -0.7847(2) -0.11267(19) 0.0246(6) Uani 0.497(15) 1 d . . P A 2
H2' H -0.977(2) -0.7548(19) -0.1551(19) 0.029 Uiso 1 1 d R . . . .
P2 P -0.62212(5) -0.80701(5) -0.41442(4) 0.01641(12) Uani 1 1 d . . . . .
C2' C -0.8973(2) -0.7847(2) -0.11267(19) 0.0246(6) Uani 0.503(15) 1 d . . P A 1
B3' B -0.7466(2) -0.7659(2) -0.18704(19) 0.0207(5) Uani 0.503(15) 1 d . . P A 1
C3' C -0.7466(2) -0.7659(2) -0.18704(19) 0.0207(5) Uani 0.497(15) 1 d . . P A 2
B4' B -0.6569(2) -0.7383(2) -0.1101(2) 0.0231(6) Uani 1 1 d . . . . .
H4' H -0.589(2) -0.6860(19) -0.1490(18) 0.028 Uiso 1 1 d R . . . .
B5' B -0.7554(3) -0.7354(3) 0.0052(2) 0.0274(6) Uani 1 1 d . . . . .
H5' H -0.749(2) -0.677(2) 0.0280(19) 0.033 Uiso 1 1 d R . . . .
B6' B -0.9093(3) -0.7647(2) 0.0021(2) 0.0264(6) Uani 1 1 d . . . . .
H6' H -1.002(2) -0.7202(19) 0.0198(18) 0.032 Uiso 1 1 d R . . . .
B7' B -0.7963(2) -0.8948(2) -0.1057(2) 0.0222(5) Uani 1 1 d . . . . .
H7' H -0.821(2) -0.9412(19) -0.1428(18) 0.027 Uiso 1 1 d R . . . .
B8' B -0.6437(2) -0.8677(2) -0.1012(2) 0.0246(6) Uani 1 1 d . . . . .
H8' H -0.560(2) -0.8998(19) -0.1382(18) 0.030 Uiso 1 1 d R . . . .
B9' B -0.6468(3) -0.8491(3) 0.0164(2) 0.0299(7) Uani 1 1 d . . . . .
H9' H -0.566(2) -0.867(2) 0.0552(19) 0.036 Uiso 1 1 d R . . . .
B10' B -0.8032(3) -0.8656(3) 0.0849(2) 0.0296(7) Uani 1 1 d . . . . .
H10' H -0.828(2) -0.895(2) 0.173(2) 0.036 Uiso 1 1 d R . . . .
B11' B -0.8955(3) -0.8949(2) 0.0099(2) 0.0270(6) Uani 1 1 d . . . . .
H11' H -0.981(2) -0.9412(19) 0.0439(18) 0.032 Uiso 1 1 d R . . . .
B12' B -0.7334(3) -0.9474(2) 0.0191(2) 0.0280(6) Uani 1 1 d . . . . .
H12' H -0.707(2) -1.033(2) 0.0607(19) 0.034 Uiso 1 1 d R . . . .
C101 C -0.57349(19) -0.61755(17) -0.36969(16) 0.0173(4) Uani 1 1 d . . . . .
O101 O -0.48280(14) -0.58089(13) -0.37995(13) 0.0260(4) Uani 1 1 d . . . . .
C102 C -0.74951(18) -0.56271(18) -0.51041(18) 0.0195(5) Uani 1 1 d . . . . .
O102 O -0.76574(14) -0.49555(13) -0.59255(13) 0.0269(4) Uani 1 1 d . . . . .
C103 C -0.89836(19) -0.71503(18) -0.35367(17) 0.0185(4) Uani 1 1 d . . . . .
O103 O -0.99503(14) -0.73968(15) -0.34899(14) 0.0316(4) Uani 1 1 d . . . . .
C111 C -0.44988(18) -0.83802(17) -0.40548(17) 0.0179(4) Uani 1 1 d . . . . .
C112 C -0.39360(19) -0.82698(18) -0.32982(17) 0.0201(5) Uani 1 1 d . . . . .
H112 H -0.4447 -0.8014 -0.2830 0.024 Uiso 1 1 calc R . . . .
C113 C -0.2634(2) -0.85306(19) -0.32236(18) 0.0248(5) Uani 1 1 d . . . . .
H113 H -0.2260 -0.8454 -0.2709 0.030 Uiso 1 1 calc R . . . .
C114 C -0.1892(2) -0.89030(18) -0.39113(19) 0.0257(5) Uani 1 1 d . . . . .
H114 H -0.1005 -0.9076 -0.3869 0.031 Uiso 1 1 calc R . . . .
C115 C -0.2435(2) -0.90264(19) -0.46615(19) 0.0250(5) Uani 1 1 d . . . . .
H115 H -0.1917 -0.9285 -0.5125 0.030 Uiso 1 1 calc R . . . .
C116 C -0.37350(19) -0.87714(19) -0.47347(18) 0.0234(5) Uani 1 1 d . . . . .
H116 H -0.4104 -0.8862 -0.5243 0.028 Uiso 1 1 calc R . . . .
C121 C -0.68346(19) -0.93720(17) -0.34151(17) 0.0193(4) Uani 1 1 d . . . . .
C122 C -0.6095(2) -1.02472(19) -0.2729(2) 0.0299(6) Uani 1 1 d . . . . .
H122 H -0.5241 -1.0186 -0.2695 0.036 Uiso 1 1 calc R . . . .
C123 C -0.6603(2) -1.1206(2) -0.2097(2) 0.0371(7) Uani 1 1 d . . . . .
H123 H -0.6096 -1.1789 -0.1625 0.045 Uiso 1 1 calc R . . . .
C124 C -0.7841(2) -1.1322(2) -0.2147(2) 0.0324(6) Uani 1 1 d . . . . .
H124 H -0.8180 -1.1978 -0.1713 0.039 Uiso 1 1 calc R . . . .
C125 C -0.8582(2) -1.04606(19) -0.28432(19) 0.0258(5) Uani 1 1 d . . . . .
H125 H -0.9426 -1.0534 -0.2889 0.031 Uiso 1 1 calc R . . . .
C126 C -0.8084(2) -0.94909(19) -0.34730(18) 0.0220(5) Uani 1 1 d . . . . .
H126 H -0.8594 -0.8909 -0.3943 0.026 Uiso 1 1 calc R . . . .
C131 C -0.62587(18) -0.76797(17) -0.55673(17) 0.0178(4) Uani 1 1 d . . . . .
C132 C -0.6812(2) -0.82364(18) -0.59579(18) 0.0215(5) Uani 1 1 d . . . . .
H132 H -0.7229 -0.8842 -0.5479 0.026 Uiso 1 1 calc R . . . .
C133 C -0.6751(2) -0.7901(2) -0.70534(19) 0.0265(5) Uani 1 1 d . . . . .
H133 H -0.7145 -0.8270 -0.7314 0.032 Uiso 1 1 calc R . . . .
C134 C -0.6116(2) -0.7031(2) -0.77610(19) 0.0271(5) Uani 1 1 d . . . . .
H134 H -0.6078 -0.6809 -0.8502 0.033 Uiso 1 1 calc R . . . .
C135 C -0.5537(2) -0.6487(2) -0.73840(18) 0.0262(5) Uani 1 1 d . . . . .
H135 H -0.5086 -0.5904 -0.7868 0.031 Uiso 1 1 calc R . . . .
C136 C -0.56176(19) -0.67978(19) -0.62963(17) 0.0215(5) Uani 1 1 d . . . . .
H136 H -0.5238 -0.6413 -0.6044 0.026 Uiso 1 1 calc R . . . .
C1 C -0.85775(19) -0.57481(19) -0.18457(17) 0.0204(5) Uani 1 1 d . . . . .
B2 B -0.8250(2) -0.54171(19) -0.31920(18) 0.0174(5) Uani 0.497(15) 1 d . . P A
2
C2 C -0.8250(2) -0.54171(19) -0.31920(18) 0.0174(5) Uani 0.503(15) 1 d . . P A
1
C3 C -0.9804(2) -0.5467(2) -0.2572(2) 0.0235(6) Uani 0.497(15) 1 d . . P A 2
B3 B -0.9804(2) -0.5467(2) -0.2572(2) 0.0235(6) Uani 0.503(15) 1 d . . P A 1
H3 H -1.035(2) -0.6109(19) -0.2462(18) 0.028 Uiso 1 1 d R . . . .
B4 B -0.9993(2) -0.5067(2) -0.1547(2) 0.0273(6) Uani 1 1 d . . . . .
H4 H -1.055(2) -0.5455(19) -0.0852(19) 0.033 Uiso 1 1 d R . . . .
B5 B -0.8479(3) -0.4707(2) -0.1547(2) 0.0282(6) Uani 1 1 d . . . . .
H5 H -0.814(2) -0.4898(19) -0.081(2) 0.034 Uiso 1 1 d R . . . .
B6 B -0.7433(2) -0.4906(2) -0.2569(2) 0.0221(5) Uani 1 1 d . . . . .
H6 H -0.647(2) -0.5190(18) -0.2425(18) 0.027 Uiso 1 1 d R . . . .
B7 B -0.9479(2) -0.4427(2) -0.3809(2) 0.0223(6) Uani 1 1 d . . . . .
H7 H -0.983(2) -0.4439(18) -0.4527(18) 0.027 Uiso 1 1 d R . . . .
B8 B -1.0551(2) -0.4210(2) -0.2801(2) 0.0254(6) Uani 1 1 d . . . . .
H8 H -1.155(2) -0.4114(19) -0.2854(18) 0.030 Uiso 1 1 d R . . . .
B9 B -0.9723(3) -0.3705(2) -0.2175(3) 0.0315(7) Uani 1 1 d . . . . .
H9 H -1.016(2) -0.320(2) -0.1817(19) 0.038 Uiso 1 1 d R . . . .
B10 B -0.8127(3) -0.3609(2) -0.2805(2) 0.0292(6) Uani 1 1 d . . . . .
H10 H -0.753(2) -0.303(2) -0.2894(19) 0.035 Uiso 1 1 d R . . . .
B11 B -0.7981(2) -0.4056(2) -0.3818(2) 0.0218(5) Uani 1 1 d . . . . .
H11 H -0.732(2) -0.3778(18) -0.4546(18) 0.026 Uiso 1 1 d R . . . .
B12 B -0.9413(3) -0.3293(2) -0.3581(2) 0.0286(6) Uani 1 1 d . . . . .
H12 H -0.973(2) -0.245(2) -0.4177(19) 0.034 Uiso 1 1 d R . . . .
Cl1A Cl -0.6520(4) -0.3800(4) -0.9877(5) 0.0462(9) Uani 0.445(2) 1 d . . P B -2
Cl2A Cl -0.72208(13) -0.32063(14) -0.81155(11) 0.0376(5) Uani 0.445(2) 1 d . .
P B -2
C2S C -0.6998(6) -0.2717(5) -0.9507(5) 0.0318(13) Uani 0.445(2) 1 d . . P B -2
H2SA H -0.6338 -0.2221 -0.9805 0.038 Uiso 0.445(2) 1 calc R . P B -2
H2SB H -0.7797 -0.2322 -0.9804 0.038 Uiso 0.445(2) 1 calc R . P B -2
Cl1 Cl -0.6194(4) -0.4038(4) -0.9782(4) 0.0577(10) Uani 0.555(2) 1 d . . P B -1
Cl2 Cl -0.73823(13) -0.25197(10) -0.89550(11) 0.0441(4) Uani 0.555(2) 1 d . . P
B -1
C1S C -0.6776(4) -0.3854(4) -0.8637(3) 0.0295(10) Uani 0.555(2) 1 d . . P B -1
H1SA H -0.6084 -0.4062 -0.8183 0.035 Uiso 0.555(2) 1 calc R . P B -1
H1SB H -0.7455 -0.4319 -0.8231 0.035 Uiso 0.555(2) 1 calc R . P B -1


_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' B2' 1.689(3) . ?
C1' C2' 1.689(3) . ?
C1' B3' 1.781(3) . ?
C1' C3' 1.781(3) . ?
C1' B4' 1.735(3) . ?
C1' B5' 1.740(3) . ?
C1' B6' 1.747(3) . ?
C1' C1 1.534(3) . ?
Ru1 P2 2.4623(7) . ?
Ru1 B3' 2.243(2) . ?
Ru1 C3' 2.243(2) . ?
Ru1 C101 1.960(2) . ?
Ru1 C102 1.963(2) . ?
Ru1 C103 1.957(2) . ?
Ru1 B2 2.188(2) . ?
Ru1 C2 2.188(2) . ?
B2' H2' 1.05(2) . ?
B2' C3' 1.766(3) . ?
B2' B6' 1.762(4) . ?
B2' B7' 1.718(4) . ?
B2' B11' 1.739(4) . ?
P2 C111 1.845(2) . ?
P2 C121 1.839(2) . ?
P2 C131 1.849(2) . ?
C2' H2' 1.05(2) . ?
C2' B3' 1.766(3) . ?
C2' B6' 1.762(4) . ?
C2' B7' 1.718(4) . ?
C2' B11' 1.739(4) . ?
B3' B4' 1.784(4) . ?
B3' B7' 1.785(4) . ?
B3' B8' 1.770(4) . ?
C3' B4' 1.784(4) . ?
C3' B7' 1.785(4) . ?
C3' B8' 1.770(4) . ?
B4' H4' 1.03(2) . ?
B4' B5' 1.805(4) . ?
B4' B8' 1.768(4) . ?
B4' B9' 1.781(4) . ?
B5' H5' 1.04(3) . ?
B5' B6' 1.791(4) . ?
B5' B9' 1.784(4) . ?
B5' B10' 1.789(4) . ?
B6' H6' 1.14(2) . ?
B6' B10' 1.768(4) . ?
B6' B11' 1.786(4) . ?
B7' H7' 1.10(2) . ?
B7' B8' 1.771(4) . ?
B7' B11' 1.799(4) . ?
B7' B12' 1.794(4) . ?
B8' H8' 1.10(2) . ?
B8' B9' 1.804(4) . ?
B8' B12' 1.788(4) . ?
B9' H9' 1.04(3) . ?
B9' B10' 1.790(4) . ?
B9' B12' 1.794(4) . ?
B10' H10' 1.12(2) . ?
B10' B11' 1.795(4) . ?
B10' B12' 1.799(4) . ?
B11' H11' 1.13(2) . ?
B11' B12' 1.778(4) . ?
B12' H12' 1.10(2) . ?
C101 O101 1.143(2) . ?
C102 O102 1.145(3) . ?
C103 O103 1.137(2) . ?
C111 C112 1.403(3) . ?
C111 C116 1.406(3) . ?
C112 H112 0.9500 . ?
C112 C113 1.398(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.389(3) . ?
C114 H114 0.9500 . ?
C114 C115 1.392(3) . ?
C115 H115 0.9500 . ?
C115 C116 1.395(3) . ?
C116 H116 0.9500 . ?
C121 C122 1.402(3) . ?
C121 C126 1.407(3) . ?
C122 H122 0.9500 . ?
C122 C123 1.394(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.390(3) . ?
C124 H124 0.9500 . ?
C124 C125 1.399(3) . ?
C125 H125 0.9500 . ?
C125 C126 1.400(3) . ?
C126 H126 0.9500 . ?
C131 C132 1.404(3) . ?
C131 C136 1.413(3) . ?
C132 H132 0.9500 . ?
C132 C133 1.402(3) . ?
C133 H133 0.9500 . ?
C133 C134 1.390(3) . ?
C134 H134 0.9500 . ?
C134 C135 1.393(3) . ?
C135 H135 0.9500 . ?
C135 C136 1.396(3) . ?
C136 H136 0.9500 . ?
C1 B2 1.739(3) . ?
C1 C2 1.739(3) . ?
C1 C3 1.702(3) . ?
C1 B3 1.702(3) . ?
C1 B4 1.755(3) . ?
C1 B5 1.740(4) . ?
C1 B6 1.722(3) . ?
B2 C3 1.748(3) . ?
B2 B6 1.781(3) . ?
B2 B7 1.773(3) . ?
B2 B11 1.779(4) . ?
C2 B3 1.748(3) . ?
C2 B6 1.781(3) . ?
C2 B7 1.773(3) . ?
C2 B11 1.779(4) . ?
C3 H3 1.10(2) . ?
C3 B4 1.762(4) . ?
C3 B7 1.737(4) . ?
C3 B8 1.736(4) . ?
B3 H3 1.10(2) . ?
B3 B4 1.762(4) . ?
B3 B7 1.737(4) . ?
B3 B8 1.736(4) . ?
B4 H4 1.03(2) . ?
B4 B5 1.793(4) . ?
B4 B8 1.784(4) . ?
B4 B9 1.781(4) . ?
B5 H5 1.07(2) . ?
B5 B6 1.778(4) . ?
B5 B9 1.797(4) . ?
B5 B10 1.794(4) . ?
B6 H6 1.07(2) . ?
B6 B10 1.767(4) . ?
B6 B11 1.773(4) . ?
B7 H7 1.16(2) . ?
B7 B8 1.786(4) . ?
B7 B11 1.780(4) . ?
B7 B12 1.800(4) . ?
B8 H8 1.07(2) . ?
B8 B9 1.786(4) . ?
B8 B12 1.790(4) . ?
B9 H9 1.06(2) . ?
B9 B10 1.792(4) . ?
B9 B12 1.798(4) . ?
B10 H10 1.08(2) . ?
B10 B11 1.797(4) . ?
B10 B12 1.792(4) . ?
B11 H11 1.10(2) . ?
B11 B12 1.801(4) . ?
B12 H12 1.15(2) . ?
Cl1A C2S 1.813(8) . ?
Cl2A C2S 1.764(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
Cl1 C1S 1.758(7) . ?
Cl2 C1S 1.769(5) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B2' C1' C3' 61.13(13) . . ?
B2' C1' B4' 109.26(18) . . ?
B2' C1' B5' 110.95(18) . . ?
B2' C1' B6' 61.68(14) . . ?
C2' C1' B3' 61.13(13) . . ?
C2' C1' B4' 109.26(18) . . ?
C2' C1' B5' 110.95(18) . . ?
C2' C1' B6' 61.68(14) . . ?
B4' C1' B3' 60.98(14) . . ?
B4' C1' C3' 60.98(14) . . ?
B4' C1' B5' 62.59(15) . . ?
B4' C1' B6' 112.49(18) . . ?
B5' C1' B3' 113.39(18) . . ?
B5' C1' C3' 113.39(18) . . ?
B5' C1' B6' 61.80(15) . . ?
B6' C1' B3' 113.52(18) . . ?
B6' C1' C3' 113.52(18) . . ?
C1 C1' B2' 118.23(18) . . ?
C1 C1' C2' 118.23(18) . . ?
C1 C1' B3' 114.16(17) . . ?
C1 C1' C3' 114.16(17) . . ?
C1 C1' B4' 120.16(18) . . ?
C1 C1' B5' 123.17(19) . . ?
C1 C1' B6' 120.89(18) . . ?
B3' Ru1 P2 97.64(7) . . ?
C3' Ru1 P2 97.64(7) . . ?
C101 Ru1 P2 91.20(6) . . ?
C101 Ru1 B3' 93.35(9) . . ?
C101 Ru1 C3' 93.35(9) . . ?
C101 Ru1 C102 89.44(9) . . ?
C101 Ru1 B2 86.05(8) . . ?
C101 Ru1 C2 86.05(8) . . ?
C102 Ru1 P2 93.57(6) . . ?
C102 Ru1 B3' 168.38(8) . . ?
C102 Ru1 C3' 168.38(8) . . ?
C102 Ru1 B2 86.06(9) . . ?
C102 Ru1 C2 86.06(9) . . ?
C103 Ru1 P2 91.20(6) . . ?
C103 Ru1 B3' 85.81(9) . . ?
C103 Ru1 C3' 85.81(9) . . ?
C103 Ru1 C101 177.55(9) . . ?
C103 Ru1 C102 90.94(9) . . ?
C103 Ru1 B2 91.56(8) . . ?
C103 Ru1 C2 91.56(8) . . ?
B2 Ru1 P2 177.22(6) . . ?
B2 Ru1 C3' 82.88(9) . . ?
C2 Ru1 P2 177.22(6) . . ?
C2 Ru1 B3' 82.88(9) . . ?
C1' B2' H2' 115.2(13) . . ?
C1' B2' C3' 62.02(14) . . ?
C1' B2' B6' 60.78(14) . . ?
C1' B2' B7' 110.62(18) . . ?
C1' B2' B11' 109.98(19) . . ?
C3' B2' H2' 117.3(13) . . ?
B6' B2' H2' 115.6(13) . . ?
B6' B2' C3' 113.51(18) . . ?
B7' B2' H2' 124.7(13) . . ?
B7' B2' C3' 61.63(14) . . ?
B7' B2' B6' 112.8(2) . . ?
B7' B2' B11' 62.71(16) . . ?
B11' B2' H2' 123.1(13) . . ?
B11' B2' C3' 113.41(19) . . ?
B11' B2' B6' 61.32(16) . . ?
C111 P2 Ru1 117.75(7) . . ?
C111 P2 C131 100.43(9) . . ?
C121 P2 Ru1 115.16(7) . . ?
C121 P2 C111 103.89(10) . . ?
C121 P2 C131 106.50(10) . . ?
C131 P2 Ru1 111.56(7) . . ?
C1' C2' H2' 115.2(13) . . ?
C1' C2' B3' 62.02(14) . . ?
C1' C2' B6' 60.78(14) . . ?
C1' C2' B7' 110.62(18) . . ?
C1' C2' B11' 109.98(19) . . ?
B3' C2' H2' 117.3(13) . . ?
B6' C2' H2' 115.6(13) . . ?
B6' C2' B3' 113.51(18) . . ?
B7' C2' H2' 124.7(13) . . ?
B7' C2' B3' 61.63(14) . . ?
B7' C2' B6' 112.8(2) . . ?
B7' C2' B11' 62.71(16) . . ?
B11' C2' H2' 123.1(13) . . ?
B11' C2' B3' 113.41(19) . . ?
B11' C2' B6' 61.32(16) . . ?
C1' B3' Ru1 113.21(14) . . ?
C1' B3' B4' 58.23(13) . . ?
C1' B3' B7' 103.51(16) . . ?
C2' B3' C1' 56.85(13) . . ?
C2' B3' Ru1 119.24(14) . . ?
C2' B3' B4' 103.67(17) . . ?
C2' B3' B7' 57.84(14) . . ?
C2' B3' B8' 103.83(17) . . ?
B4' B3' Ru1 119.82(15) . . ?
B4' B3' B7' 106.83(18) . . ?
B7' B3' Ru1 130.86(15) . . ?
B8' B3' C1' 104.03(17) . . ?
B8' B3' Ru1 133.59(15) . . ?
B8' B3' B4' 59.67(15) . . ?
B8' B3' B7' 59.75(15) . . ?
C1' C3' Ru1 113.21(14) . . ?
C1' C3' B4' 58.23(13) . . ?
C1' C3' B7' 103.51(16) . . ?
B2' C3' C1' 56.85(13) . . ?
B2' C3' Ru1 119.24(14) . . ?
B2' C3' B4' 103.67(17) . . ?
B2' C3' B7' 57.84(14) . . ?
B2' C3' B8' 103.83(17) . . ?
B4' C3' Ru1 119.82(15) . . ?
B4' C3' B7' 106.83(18) . . ?
B7' C3' Ru1 130.86(15) . . ?
B8' C3' C1' 104.03(17) . . ?
B8' C3' Ru1 133.59(15) . . ?
B8' C3' B4' 59.67(15) . . ?
B8' C3' B7' 59.75(15) . . ?
C1' B4' B3' 60.80(14) . . ?
C1' B4' C3' 60.80(14) . . ?
C1' B4' H4' 120.1(13) . . ?
C1' B4' B5' 58.86(14) . . ?
C1' B4' B8' 106.06(18) . . ?
C1' B4' B9' 105.41(18) . . ?
B3' B4' H4' 118.6(13) . . ?
B3' B4' B5' 110.17(18) . . ?
C3' B4' H4' 118.6(13) . . ?
C3' B4' B5' 110.17(18) . . ?
B5' B4' H4' 120.0(13) . . ?
B8' B4' B3' 59.75(15) . . ?
B8' B4' C3' 59.75(15) . . ?
B8' B4' H4' 124.8(13) . . ?
B8' B4' B5' 108.8(2) . . ?
B8' B4' B9' 61.12(16) . . ?
B9' B4' B3' 109.6(2) . . ?
B9' B4' C3' 109.6(2) . . ?
B9' B4' H4' 124.9(13) . . ?
B9' B4' B5' 59.67(16) . . ?
C1' B5' B4' 58.56(13) . . ?
C1' B5' H5' 115.6(14) . . ?
C1' B5' B6' 59.28(14) . . ?
C1' B5' B9' 105.03(19) . . ?
C1' B5' B10' 105.15(19) . . ?
B4' B5' H5' 119.7(13) . . ?
B6' B5' B4' 107.22(18) . . ?
B6' B5' H5' 118.5(13) . . ?
B9' B5' B4' 59.48(16) . . ?
B9' B5' H5' 129.5(14) . . ?
B9' B5' B6' 107.2(2) . . ?
B9' B5' B10' 60.12(17) . . ?
B10' B5' B4' 107.2(2) . . ?
B10' B5' H5' 128.8(14) . . ?
B10' B5' B6' 59.18(16) . . ?
C1' B6' B2' 57.54(13) . . ?
C1' B6' C2' 57.54(13) . . ?
C1' B6' B5' 58.92(14) . . ?
C1' B6' H6' 115.4(12) . . ?
C1' B6' B10' 105.78(18) . . ?
C1' B6' B11' 105.27(18) . . ?
B2' B6' B5' 105.35(18) . . ?
B2' B6' H6' 115.8(12) . . ?
B2' B6' B10' 105.8(2) . . ?
B2' B6' B11' 58.70(15) . . ?
C2' B6' B5' 105.35(18) . . ?
C2' B6' H6' 115.8(12) . . ?
C2' B6' B10' 105.8(2) . . ?
C2' B6' B11' 58.70(15) . . ?
B5' B6' H6' 124.0(12) . . ?
B10' B6' B5' 60.35(16) . . ?
B10' B6' H6' 132.4(12) . . ?
B10' B6' B11' 60.70(17) . . ?
B11' B6' B5' 108.6(2) . . ?
B11' B6' H6' 124.5(12) . . ?
B2' B7' C3' 60.53(14) . . ?
B2' B7' H7' 117.8(12) . . ?
B2' B7' B8' 105.8(2) . . ?
B2' B7' B11' 59.23(15) . . ?
B2' B7' B12' 105.30(19) . . ?
C2' B7' B3' 60.53(14) . . ?
C2' B7' H7' 117.8(12) . . ?
C2' B7' B8' 105.8(2) . . ?
C2' B7' B11' 59.23(15) . . ?
C2' B7' B12' 105.30(19) . . ?
B3' B7' H7' 119.7(12) . . ?
B3' B7' B11' 109.69(19) . . ?
B3' B7' B12' 108.61(19) . . ?
C3' B7' H7' 119.7(12) . . ?
C3' B7' B11' 109.69(19) . . ?
C3' B7' B12' 108.61(19) . . ?
B8' B7' B3' 59.69(15) . . ?
B8' B7' C3' 59.69(15) . . ?
B8' B7' H7' 127.9(12) . . ?
B8' B7' B11' 107.82(19) . . ?
B8' B7' B12' 60.21(15) . . ?
B11' B7' H7' 118.2(12) . . ?
B12' B7' H7' 126.2(12) . . ?
B12' B7' B11' 59.32(15) . . ?
B3' B8' B7' 60.56(14) . . ?
B3' B8' H8' 117.1(12) . . ?
B3' B8' B9' 109.2(2) . . ?
B3' B8' B12' 109.58(18) . . ?
C3' B8' B7' 60.56(14) . . ?
C3' B8' H8' 117.1(12) . . ?
C3' B8' B9' 109.2(2) . . ?
C3' B8' B12' 109.58(18) . . ?
B4' B8' B3' 60.58(15) . . ?
B4' B8' C3' 60.58(15) . . ?
B4' B8' B7' 108.17(19) . . ?
B4' B8' H8' 121.8(13) . . ?
B4' B8' B9' 59.78(16) . . ?
B4' B8' B12' 107.9(2) . . ?
B7' B8' H8' 119.4(13) . . ?
B7' B8' B9' 108.39(18) . . ?
B7' B8' B12' 60.54(15) . . ?
B9' B8' H8' 124.8(13) . . ?
B12' B8' H8' 123.4(13) . . ?
B12' B8' B9' 59.91(16) . . ?
B4' B9' B5' 60.85(16) . . ?
B4' B9' B8' 59.10(15) . . ?
B4' B9' H9' 120.0(14) . . ?
B4' B9' B10' 108.3(2) . . ?
B4' B9' B12' 107.07(19) . . ?
B5' B9' B8' 108.17(19) . . ?
B5' B9' H9' 119.9(14) . . ?
B5' B9' B10' 60.07(16) . . ?
B5' B9' B12' 108.3(2) . . ?
B8' B9' H9' 122.1(14) . . ?
B10' B9' B8' 107.93(19) . . ?
B10' B9' H9' 122.7(14) . . ?
B10' B9' B12' 60.29(16) . . ?
B12' B9' B8' 59.59(16) . . ?
B12' B9' H9' 124.0(14) . . ?
B5' B10' B9' 59.81(16) . . ?
B5' B10' H10' 120.8(13) . . ?
B5' B10' B11' 108.3(2) . . ?
B5' B10' B12' 107.84(19) . . ?
B6' B10' B5' 60.47(16) . . ?
B6' B10' B9' 108.03(19) . . ?
B6' B10' H10' 117.6(12) . . ?
B6' B10' B11' 60.14(16) . . ?
B6' B10' B12' 107.58(19) . . ?
B9' B10' H10' 125.5(12) . . ?
B9' B10' B11' 107.49(19) . . ?
B9' B10' B12' 59.97(16) . . ?
B11' B10' H10' 120.0(13) . . ?
B11' B10' B12' 59.28(16) . . ?
B12' B10' H10' 124.9(13) . . ?
B2' B11' B6' 59.97(15) . . ?
B2' B11' B7' 58.07(14) . . ?
B2' B11' B10' 105.6(2) . . ?
B2' B11' H11' 119.2(12) . . ?
B2' B11' B12' 105.10(18) . . ?
C2' B11' B6' 59.97(15) . . ?
C2' B11' B7' 58.07(14) . . ?
C2' B11' B10' 105.6(2) . . ?
C2' B11' H11' 119.2(12) . . ?
C2' B11' B12' 105.10(18) . . ?
B6' B11' B7' 107.97(19) . . ?
B6' B11' B10' 59.16(17) . . ?
B6' B11' H11' 118.6(12) . . ?
B7' B11' H11' 121.2(12) . . ?
B10' B11' B7' 108.36(19) . . ?
B10' B11' H11' 125.2(12) . . ?
B12' B11' B6' 107.7(2) . . ?
B12' B11' B7' 60.21(15) . . ?
B12' B11' B10' 60.47(17) . . ?
B12' B11' H11' 127.0(12) . . ?
B7' B12' B10' 108.4(2) . . ?
B7' B12' H12' 118.9(13) . . ?
B8' B12' B7' 59.25(15) . . ?
B8' B12' B9' 60.50(16) . . ?
B8' B12' B10' 108.2(2) . . ?
B8' B12' H12' 120.8(13) . . ?
B9' B12' B7' 107.8(2) . . ?
B9' B12' B10' 59.74(16) . . ?
B9' B12' H12' 124.0(13) . . ?
B10' B12' H12' 123.9(13) . . ?
B11' B12' B7' 60.47(15) . . ?
B11' B12' B8' 108.0(2) . . ?
B11' B12' B9' 108.1(2) . . ?
B11' B12' B10' 60.25(16) . . ?
B11' B12' H12' 120.6(13) . . ?
O101 C101 Ru1 174.67(19) . . ?
O102 C102 Ru1 173.74(19) . . ?
O103 C103 Ru1 178.28(19) . . ?
C112 C111 P2 121.54(15) . . ?
C112 C111 C116 119.02(19) . . ?
C116 C111 P2 119.41(16) . . ?
C111 C112 H112 119.5 . . ?
C113 C112 C111 120.9(2) . . ?
C113 C112 H112 119.5 . . ?
C112 C113 H113 120.4 . . ?
C114 C113 C112 119.2(2) . . ?
C114 C113 H113 120.4 . . ?
C113 C114 H114 119.6 . . ?
C113 C114 C115 120.7(2) . . ?
C115 C114 H114 119.6 . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.2(2) . . ?
C116 C115 H115 119.9 . . ?
C111 C116 H116 120.0 . . ?
C115 C116 C111 119.9(2) . . ?
C115 C116 H116 120.0 . . ?
C122 C121 P2 120.39(17) . . ?
C122 C121 C126 118.7(2) . . ?
C126 C121 P2 120.76(17) . . ?
C121 C122 H122 119.8 . . ?
C123 C122 C121 120.5(2) . . ?
C123 C122 H122 119.8 . . ?
C122 C123 H123 119.6 . . ?
C124 C123 C122 120.9(2) . . ?
C124 C123 H123 119.6 . . ?
C123 C124 H124 120.4 . . ?
C123 C124 C125 119.3(2) . . ?
C125 C124 H124 120.4 . . ?
C124 C125 H125 119.9 . . ?
C124 C125 C126 120.3(2) . . ?
C126 C125 H125 119.9 . . ?
C121 C126 H126 119.8 . . ?
C125 C126 C121 120.4(2) . . ?
C125 C126 H126 119.8 . . ?
C132 C131 P2 124.33(17) . . ?
C132 C131 C136 118.7(2) . . ?
C136 C131 P2 116.81(16) . . ?
C131 C132 H132 119.9 . . ?
C133 C132 C131 120.2(2) . . ?
C133 C132 H132 119.9 . . ?
C132 C133 H133 119.8 . . ?
C134 C133 C132 120.4(2) . . ?
C134 C133 H133 119.8 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0(2) . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.1(2) . . ?
C136 C135 H135 120.0 . . ?
C131 C136 H136 119.7 . . ?
C135 C136 C131 120.5(2) . . ?
C135 C136 H136 119.7 . . ?
C1' C1 B2 112.61(17) . . ?
C1' C1 C2 112.61(17) . . ?
C1' C1 C3 117.75(18) . . ?
C1' C1 B3 117.75(18) . . ?
C1' C1 B4 123.03(18) . . ?
C1' C1 B5 124.58(19) . . ?
C1' C1 B6 119.06(17) . . ?
B2 C1 B4 112.66(17) . . ?
B2 C1 B5 113.14(18) . . ?
C2 C1 B4 112.66(17) . . ?
C2 C1 B5 113.14(18) . . ?
C3 C1 B2 61.04(13) . . ?
C3 C1 B4 61.25(14) . . ?
C3 C1 B5 110.88(18) . . ?
C3 C1 B6 110.12(18) . . ?
B3 C1 C2 61.04(13) . . ?
B3 C1 B4 61.25(14) . . ?
B3 C1 B5 110.88(18) . . ?
B3 C1 B6 110.12(18) . . ?
B5 C1 B4 61.73(15) . . ?
B6 C1 B2 61.93(13) . . ?
B6 C1 C2 61.93(13) . . ?
B6 C1 B4 111.85(19) . . ?
B6 C1 B5 61.79(15) . . ?
C1 B2 Ru1 117.13(14) . . ?
C1 B2 C3 58.42(12) . . ?
C1 B2 B6 58.54(13) . . ?
C1 B2 B7 105.75(16) . . ?
C1 B2 B11 105.72(16) . . ?
C3 B2 Ru1 120.16(15) . . ?
C3 B2 B6 105.36(16) . . ?
C3 B2 B7 59.09(14) . . ?
C3 B2 B11 106.18(16) . . ?
B6 B2 Ru1 121.38(14) . . ?
B7 B2 Ru1 126.61(15) . . ?
B7 B2 B6 107.28(18) . . ?
B7 B2 B11 60.12(14) . . ?
B11 B2 Ru1 128.22(14) . . ?
B11 B2 B6 59.74(15) . . ?
C1 C2 Ru1 117.13(14) . . ?
C1 C2 B3 58.42(12) . . ?
C1 C2 B6 58.54(13) . . ?
C1 C2 B7 105.75(16) . . ?
C1 C2 B11 105.72(16) . . ?
B3 C2 Ru1 120.16(15) . . ?
B3 C2 B6 105.36(16) . . ?
B3 C2 B7 59.09(14) . . ?
B3 C2 B11 106.18(16) . . ?
B6 C2 Ru1 121.38(14) . . ?
B7 C2 Ru1 126.61(15) . . ?
B7 C2 B6 107.28(18) . . ?
B7 C2 B11 60.12(14) . . ?
B11 C2 Ru1 128.22(14) . . ?
B11 C2 B6 59.74(15) . . ?
C1 C3 B2 60.54(13) . . ?
C1 C3 H3 119.9(12) . . ?
C1 C3 B4 60.87(14) . . ?
C1 C3 B7 109.10(18) . . ?
C1 C3 B8 109.25(19) . . ?
B2 C3 H3 119.3(12) . . ?
B2 C3 B4 111.93(18) . . ?
B4 C3 H3 118.1(12) . . ?
B7 C3 B2 61.19(14) . . ?
B7 C3 H3 121.8(12) . . ?
B7 C3 B4 112.0(2) . . ?
B8 C3 B2 111.70(19) . . ?
B8 C3 H3 121.2(12) . . ?
B8 C3 B4 61.33(16) . . ?
B8 C3 B7 61.93(16) . . ?
C1 B3 C2 60.54(13) . . ?
C1 B3 H3 119.9(12) . . ?
C1 B3 B4 60.87(14) . . ?
C1 B3 B7 109.10(18) . . ?
C1 B3 B8 109.25(19) . . ?
C2 B3 H3 119.3(12) . . ?
C2 B3 B4 111.93(18) . . ?
B4 B3 H3 118.1(12) . . ?
B7 B3 C2 61.19(14) . . ?
B7 B3 H3 121.8(12) . . ?
B7 B3 B4 112.0(2) . . ?
B8 B3 C2 111.70(19) . . ?
B8 B3 H3 121.2(12) . . ?
B8 B3 B4 61.33(16) . . ?
B8 B3 B7 61.93(16) . . ?
C1 B4 C3 57.88(13) . . ?
C1 B4 B3 57.88(13) . . ?
C1 B4 H4 118.7(14) . . ?
C1 B4 B5 58.71(14) . . ?
C1 B4 B8 104.74(17) . . ?
C1 B4 B9 105.38(18) . . ?
C3 B4 H4 120.5(14) . . ?
C3 B4 B5 105.75(17) . . ?
C3 B4 B8 58.62(15) . . ?
C3 B4 B9 105.8(2) . . ?
B3 B4 H4 120.5(14) . . ?
B3 B4 B5 105.75(17) . . ?
B3 B4 B8 58.62(15) . . ?
B3 B4 B9 105.8(2) . . ?
B5 B4 H4 121.2(14) . . ?
B8 B4 H4 125.9(14) . . ?
B8 B4 B5 108.0(2) . . ?
B9 B4 H4 127.7(14) . . ?
B9 B4 B5 60.36(17) . . ?
B9 B4 B8 60.12(17) . . ?
C1 B5 B4 59.56(14) . . ?
C1 B5 H5 117.7(14) . . ?
C1 B5 B6 58.60(14) . . ?
C1 B5 B9 105.34(19) . . ?
C1 B5 B10 105.00(19) . . ?
B4 B5 H5 119.7(13) . . ?
B4 B5 B9 59.48(16) . . ?
B4 B5 B10 107.5(2) . . ?
B6 B5 B4 107.52(19) . . ?
B6 B5 H5 120.0(13) . . ?
B6 B5 B9 106.9(2) . . ?
B6 B5 B10 59.28(16) . . ?
B9 B5 H5 127.7(13) . . ?
B10 B5 H5 127.4(14) . . ?
B10 B5 B9 59.86(17) . . ?
C1 B6 B2 59.52(13) . . ?
C1 B6 C2 59.52(13) . . ?
C1 B6 B5 59.60(14) . . ?
C1 B6 H6 118.4(13) . . ?
C1 B6 B10 106.99(18) . . ?
C1 B6 B11 106.76(17) . . ?
B2 B6 H6 120.8(12) . . ?
C2 B6 H6 120.8(12) . . ?
B5 B6 B2 109.36(17) . . ?
B5 B6 C2 109.36(17) . . ?
B5 B6 H6 117.4(12) . . ?
B10 B6 B2 109.20(19) . . ?
B10 B6 C2 109.20(19) . . ?
B10 B6 B5 60.83(16) . . ?
B10 B6 H6 124.2(13) . . ?
B10 B6 B11 61.02(16) . . ?
B11 B6 B2 60.07(14) . . ?
B11 B6 C2 60.07(14) . . ?
B11 B6 B5 109.99(19) . . ?
B11 B6 H6 126.0(12) . . ?
B2 B7 H7 117.1(11) . . ?
B2 B7 B8 108.16(19) . . ?
B2 B7 B11 60.09(14) . . ?
B2 B7 B12 108.57(19) . . ?
C2 B7 H7 117.1(11) . . ?
C2 B7 B8 108.16(19) . . ?
C2 B7 B11 60.09(14) . . ?
C2 B7 B12 108.57(19) . . ?
C3 B7 B2 59.72(14) . . ?
C3 B7 H7 117.5(12) . . ?
C3 B7 B8 59.02(15) . . ?
C3 B7 B11 106.65(19) . . ?
C3 B7 B12 106.34(19) . . ?
B3 B7 C2 59.72(14) . . ?
B3 B7 H7 117.5(12) . . ?
B3 B7 B8 59.02(15) . . ?
B3 B7 B11 106.65(19) . . ?
B3 B7 B12 106.34(19) . . ?
B8 B7 H7 122.0(11) . . ?
B8 B7 B12 59.88(15) . . ?
B11 B7 H7 124.9(11) . . ?
B11 B7 B8 108.13(19) . . ?
B11 B7 B12 60.42(15) . . ?
B12 B7 H7 127.8(12) . . ?
C3 B8 B4 60.06(15) . . ?
C3 B8 B7 59.06(14) . . ?
C3 B8 H8 114.6(13) . . ?
C3 B8 B9 106.7(2) . . ?
C3 B8 B12 106.80(18) . . ?
B3 B8 B4 60.06(15) . . ?
B3 B8 B7 59.06(14) . . ?
B3 B8 H8 114.6(13) . . ?
B3 B8 B9 106.7(2) . . ?
B3 B8 B12 106.80(18) . . ?
B4 B8 B7 108.61(18) . . ?
B4 B8 H8 118.0(13) . . ?
B4 B8 B9 59.85(17) . . ?
B4 B8 B12 108.7(2) . . ?
B7 B8 H8 118.5(13) . . ?
B7 B8 B12 60.42(15) . . ?
B9 B8 B7 108.50(18) . . ?
B9 B8 H8 128.4(13) . . ?
B9 B8 B12 60.37(16) . . ?
B12 B8 H8 128.4(13) . . ?
B4 B9 B5 60.16(16) . . ?
B4 B9 B8 60.03(16) . . ?
B4 B9 H9 119.7(14) . . ?
B4 B9 B10 108.12(19) . . ?
B4 B9 B12 108.5(2) . . ?
B5 B9 H9 118.2(13) . . ?
B5 B9 B12 108.21(19) . . ?
B8 B9 B5 107.8(2) . . ?
B8 B9 H9 124.4(13) . . ?
B8 B9 B10 107.43(19) . . ?
B8 B9 B12 59.94(16) . . ?
B10 B9 B5 60.00(16) . . ?
B10 B9 H9 121.4(14) . . ?
B10 B9 B12 59.89(16) . . ?
B12 B9 H9 124.6(14) . . ?
B5 B10 H10 121.6(13) . . ?
B5 B10 B11 108.1(2) . . ?
B6 B10 B5 59.89(16) . . ?
B6 B10 B9 107.6(2) . . ?
B6 B10 H10 119.3(13) . . ?
B6 B10 B11 59.66(15) . . ?
B6 B10 B12 107.8(2) . . ?
B9 B10 B5 60.14(17) . . ?
B9 B10 H10 124.7(13) . . ?
B9 B10 B11 108.18(19) . . ?
B9 B10 B12 60.22(16) . . ?
B11 B10 H10 119.6(13) . . ?
B12 B10 B5 108.6(2) . . ?
B12 B10 H10 123.0(13) . . ?
B12 B10 B11 60.25(15) . . ?
B2 B11 B7 59.78(14) . . ?
B2 B11 B10 107.93(19) . . ?
B2 B11 H11 118.2(12) . . ?
B2 B11 B12 108.26(17) . . ?
C2 B11 B7 59.78(14) . . ?
C2 B11 B10 107.93(19) . . ?
C2 B11 H11 118.2(12) . . ?
C2 B11 B12 108.26(17) . . ?
B6 B11 B2 60.19(14) . . ?
B6 B11 C2 60.19(14) . . ?
B6 B11 B7 107.37(19) . . ?
B6 B11 B10 59.32(16) . . ?
B6 B11 H11 121.2(12) . . ?
B6 B11 B12 107.14(19) . . ?
B7 B11 B10 107.76(18) . . ?
B7 B11 H11 120.9(12) . . ?
B7 B11 B12 60.34(15) . . ?
B10 B11 H11 124.6(12) . . ?
B10 B11 B12 59.73(16) . . ?
B12 B11 H11 124.5(12) . . ?
B7 B12 B11 59.24(14) . . ?
B7 B12 H12 121.8(13) . . ?
B8 B12 B7 59.69(15) . . ?
B8 B12 B9 59.70(16) . . ?
B8 B12 B10 107.2(2) . . ?
B8 B12 B11 107.04(19) . . ?
B8 B12 H12 120.6(12) . . ?
B9 B12 B7 107.4(2) . . ?
B9 B12 B11 107.7(2) . . ?
B9 B12 H12 121.4(12) . . ?
B10 B12 B7 107.1(2) . . ?
B10 B12 B9 59.89(16) . . ?
B10 B12 B11 60.02(15) . . ?
B10 B12 H12 123.4(13) . . ?
B11 B12 H12 123.4(12) . . ?
Cl1A C2S H2SA 109.6 . . ?
Cl1A C2S H2SB 109.6 . . ?
Cl2A C2S Cl1A 110.4(4) . . ?
Cl2A C2S H2SA 109.6 . . ?
Cl2A C2S H2SB 109.6 . . ?
H2SA C2S H2SB 108.1 . . ?
Cl1 C1S Cl2 111.6(3) . . ?
Cl1 C1S H1SA 109.3 . . ?
Cl1 C1S H1SB 109.3 . . ?
Cl2 C1S H1SA 109.3 . . ?
Cl2 C1S H1SB 109.3 . . ?
H1SA C1S H1SB 108.0 . . ?

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' B2' C3' Ru1 -100.01(17) . . . . ?
C1' B2' C3' B4' 36.27(17) . . . . ?
C1' B2' C3' B7' 137.75(19) . . . . ?
C1' B2' C3' B8' 97.89(18) . . . . ?
C1' B2' B6' B5' -36.00(18) . . . . ?
C1' B2' B6' B10' -98.90(19) . . . . ?
C1' B2' B6' B11' -138.77(19) . . . . ?
C1' B2' B7' C3' -39.38(17) . . . . ?
C1' B2' B7' B8' 0.9(2) . . . . ?
C1' B2' B7' B11' 102.5(2) . . . . ?
C1' B2' B7' B12' 63.6(2) . . . . ?
C1' B2' B11' B6' 37.74(17) . . . . ?
C1' B2' B11' B7' -103.5(2) . . . . ?
C1' B2' B11' B10' -1.3(2) . . . . ?
C1' B2' B11' B12' -64.3(2) . . . . ?
C1' C2' B3' Ru1 -100.01(17) . . . . ?
C1' C2' B3' B4' 36.27(17) . . . . ?
C1' C2' B3' B7' 137.75(19) . . . . ?
C1' C2' B3' B8' 97.89(18) . . . . ?
C1' C2' B6' B5' -36.00(18) . . . . ?
C1' C2' B6' B10' -98.90(19) . . . . ?
C1' C2' B6' B11' -138.77(19) . . . . ?
C1' C2' B7' B3' -39.38(17) . . . . ?
C1' C2' B7' B8' 0.9(2) . . . . ?
C1' C2' B7' B11' 102.5(2) . . . . ?
C1' C2' B7' B12' 63.6(2) . . . . ?
C1' C2' B11' B6' 37.74(17) . . . . ?
C1' C2' B11' B7' -103.5(2) . . . . ?
C1' C2' B11' B10' -1.3(2) . . . . ?
C1' C2' B11' B12' -64.3(2) . . . . ?
C1' B3' B4' B5' 33.23(18) . . . . ?
C1' B3' B4' B8' 133.84(18) . . . . ?
C1' B3' B4' B9' 97.12(19) . . . . ?
C1' B3' B7' C2' 35.38(16) . . . . ?
C1' B3' B7' B8' -98.54(17) . . . . ?
C1' B3' B7' B11' 1.1(2) . . . . ?
C1' B3' B7' B12' -62.1(2) . . . . ?
C1' B3' B8' B4' -39.20(15) . . . . ?
C1' B3' B8' B7' 97.64(17) . . . . ?
C1' B3' B8' B9' -3.1(2) . . . . ?
C1' B3' B8' B12' 60.8(2) . . . . ?
C1' C3' B4' B5' 33.23(18) . . . . ?
C1' C3' B4' B8' 133.84(18) . . . . ?
C1' C3' B4' B9' 97.12(19) . . . . ?
C1' C3' B7' B2' 35.38(16) . . . . ?
C1' C3' B7' B8' -98.54(17) . . . . ?
C1' C3' B7' B11' 1.1(2) . . . . ?
C1' C3' B7' B12' -62.1(2) . . . . ?
C1' C3' B8' B4' -39.20(15) . . . . ?
C1' C3' B8' B7' 97.64(17) . . . . ?
C1' C3' B8' B9' -3.1(2) . . . . ?
C1' C3' B8' B12' 60.8(2) . . . . ?
C1' B4' B5' B6' 35.27(19) . . . . ?
C1' B4' B5' B9' 135.5(2) . . . . ?
C1' B4' B5' B10' 97.5(2) . . . . ?
C1' B4' B8' B3' 40.93(16) . . . . ?
C1' B4' B8' C3' 40.93(16) . . . . ?
C1' B4' B8' B7' 2.1(2) . . . . ?
C1' B4' B8' B9' -99.03(19) . . . . ?
C1' B4' B8' B12' -61.9(2) . . . . ?
C1' B4' B9' B5' -38.48(17) . . . . ?
C1' B4' B9' B8' 100.1(2) . . . . ?
C1' B4' B9' B10' -0.3(3) . . . . ?
C1' B4' B9' B12' 63.3(2) . . . . ?
C1' B5' B6' B2' 35.38(18) . . . . ?
C1' B5' B6' C2' 35.38(18) . . . . ?
C1' B5' B6' B10' 135.1(2) . . . . ?
C1' B5' B6' B11' 96.96(19) . . . . ?
C1' B5' B9' B4' 38.26(16) . . . . ?
C1' B5' B9' B8' 1.6(2) . . . . ?
C1' B5' B9' B10' -99.07(19) . . . . ?
C1' B5' B9' B12' -61.5(2) . . . . ?
C1' B5' B10' B6' -38.94(17) . . . . ?
C1' B5' B10' B9' 98.9(2) . . . . ?
C1' B5' B10' B11' -1.1(3) . . . . ?
C1' B5' B10' B12' 61.6(2) . . . . ?
C1' B6' B10' B5' 38.91(17) . . . . ?
C1' B6' B10' B9' 1.3(3) . . . . ?
C1' B6' B10' B11' -98.93(19) . . . . ?
C1' B6' B10' B12' -62.0(2) . . . . ?
C1' B6' B11' B2' -35.20(16) . . . . ?
C1' B6' B11' C2' -35.20(16) . . . . ?
C1' B6' B11' B7' -1.3(2) . . . . ?
C1' B6' B11' B10' 99.79(19) . . . . ?
C1' B6' B11' B12' 62.3(2) . . . . ?
C1' C1 B2 Ru1 -0.1(2) . . . . ?
C1' C1 B2 C3 110.2(2) . . . . ?
C1' C1 B2 B6 -111.98(19) . . . . ?
C1' C1 B2 B7 147.11(17) . . . . ?
C1' C1 B2 B11 -150.16(17) . . . . ?
C1' C1 C2 Ru1 -0.1(2) . . . . ?
C1' C1 C2 B3 110.2(2) . . . . ?
C1' C1 C2 B6 -111.98(19) . . . . ?
C1' C1 C2 B7 147.11(17) . . . . ?
C1' C1 C2 B11 -150.16(17) . . . . ?
C1' C1 C3 B2 -101.85(19) . . . . ?
C1' C1 C3 B4 114.4(2) . . . . ?
C1' C1 C3 B7 -140.47(19) . . . . ?
C1' C1 C3 B8 153.52(18) . . . . ?
C1' C1 B3 C2 -101.85(19) . . . . ?
C1' C1 B3 B4 114.4(2) . . . . ?
C1' C1 B3 B7 -140.47(19) . . . . ?
C1' C1 B3 B8 153.52(18) . . . . ?
C1' C1 B4 C3 -106.1(2) . . . . ?
C1' C1 B4 B3 -106.1(2) . . . . ?
C1' C1 B4 B5 114.8(2) . . . . ?
C1' C1 B4 B8 -142.8(2) . . . . ?
C1' C1 B4 B9 154.7(2) . . . . ?
C1' C1 B5 B4 -112.4(2) . . . . ?
C1' C1 B5 B6 107.4(2) . . . . ?
C1' C1 B5 B9 -151.8(2) . . . . ?
C1' C1 B5 B10 145.9(2) . . . . ?
C1' C1 B6 B2 101.7(2) . . . . ?
C1' C1 B6 C2 101.7(2) . . . . ?
C1' C1 B6 B5 -116.0(2) . . . . ?
C1' C1 B6 B10 -155.67(19) . . . . ?
C1' C1 B6 B11 140.25(19) . . . . ?
Ru1 P2 C111 C112 30.4(2) . . . . ?
Ru1 P2 C111 C116 -151.80(16) . . . . ?
Ru1 P2 C121 C122 -113.49(18) . . . . ?
Ru1 P2 C121 C126 61.73(19) . . . . ?
Ru1 P2 C131 C132 -119.08(17) . . . . ?
Ru1 P2 C131 C136 64.83(17) . . . . ?
Ru1 B3' B4' C1' 100.32(17) . . . . ?
Ru1 B3' B4' B5' 133.56(18) . . . . ?
Ru1 B3' B4' B8' -125.83(18) . . . . ?
Ru1 B3' B4' B9' -162.56(15) . . . . ?
Ru1 B3' B7' C2' -102.7(2) . . . . ?
Ru1 B3' B7' B8' 123.4(2) . . . . ?
Ru1 B3' B7' B11' -136.93(18) . . . . ?
Ru1 B3' B7' B12' 159.90(16) . . . . ?
Ru1 B3' B8' B4' 103.8(2) . . . . ?
Ru1 B3' B8' B7' -119.4(2) . . . . ?
Ru1 B3' B8' B9' 139.86(19) . . . . ?
Ru1 B3' B8' B12' -156.22(18) . . . . ?
Ru1 C3' B4' C1' 100.32(17) . . . . ?
Ru1 C3' B4' B5' 133.56(18) . . . . ?
Ru1 C3' B4' B8' -125.83(18) . . . . ?
Ru1 C3' B4' B9' -162.56(15) . . . . ?
Ru1 C3' B7' B2' -102.7(2) . . . . ?
Ru1 C3' B7' B8' 123.4(2) . . . . ?
Ru1 C3' B7' B11' -136.93(18) . . . . ?
Ru1 C3' B7' B12' 159.90(16) . . . . ?
Ru1 C3' B8' B4' 103.8(2) . . . . ?
Ru1 C3' B8' B7' -119.4(2) . . . . ?
Ru1 C3' B8' B9' 139.86(19) . . . . ?
Ru1 C3' B8' B12' -156.22(18) . . . . ?
Ru1 B2 C3 C1 105.18(17) . . . . ?
Ru1 B2 C3 B4 139.07(18) . . . . ?
Ru1 B2 C3 B7 -117.12(18) . . . . ?
Ru1 B2 C3 B8 -154.29(16) . . . . ?
Ru1 B2 B6 C1 -104.66(17) . . . . ?
Ru1 B2 B6 B5 -138.65(17) . . . . ?
Ru1 B2 B6 B10 156.48(15) . . . . ?
Ru1 B2 B6 B11 118.89(17) . . . . ?
Ru1 B2 B7 C3 106.54(19) . . . . ?
Ru1 B2 B7 B8 141.57(17) . . . . ?
Ru1 B2 B7 B11 -117.53(19) . . . . ?
Ru1 B2 B7 B12 -154.97(16) . . . . ?
Ru1 B2 B11 B6 -107.93(19) . . . . ?
Ru1 B2 B11 B7 115.02(19) . . . . ?
Ru1 B2 B11 B10 -144.46(16) . . . . ?
Ru1 B2 B11 B12 152.35(16) . . . . ?
Ru1 C2 B3 C1 105.18(17) . . . . ?
Ru1 C2 B3 B4 139.07(18) . . . . ?
Ru1 C2 B3 B7 -117.12(18) . . . . ?
Ru1 C2 B3 B8 -154.29(16) . . . . ?
Ru1 C2 B6 C1 -104.66(17) . . . . ?
Ru1 C2 B6 B5 -138.65(17) . . . . ?
Ru1 C2 B6 B10 156.48(15) . . . . ?
Ru1 C2 B6 B11 118.89(17) . . . . ?
Ru1 C2 B7 B3 106.54(19) . . . . ?
Ru1 C2 B7 B8 141.57(17) . . . . ?
Ru1 C2 B7 B11 -117.53(19) . . . . ?
Ru1 C2 B7 B12 -154.97(16) . . . . ?
Ru1 C2 B11 B6 -107.93(19) . . . . ?
Ru1 C2 B11 B7 115.02(19) . . . . ?
Ru1 C2 B11 B10 -144.46(16) . . . . ?
Ru1 C2 B11 B12 152.35(16) . . . . ?
B2' C1' C3' Ru1 110.78(16) . . . . ?
B2' C1' C3' B4' -137.45(19) . . . . ?
B2' C1' C3' B7' -35.83(16) . . . . ?
B2' C1' C3' B8' -97.54(19) . . . . ?
B2' C1' B4' C3' 38.85(17) . . . . ?
B2' C1' B4' B5' -104.2(2) . . . . ?
B2' C1' B4' B8' -1.6(2) . . . . ?
B2' C1' B4' B9' -65.3(2) . . . . ?
B2' C1' B5' B4' 101.5(2) . . . . ?
B2' C1' B5' B6' -38.59(18) . . . . ?
B2' C1' B5' B9' 62.8(2) . . . . ?
B2' C1' B5' B10' 0.3(2) . . . . ?
B2' C1' B6' B5' 138.6(2) . . . . ?
B2' C1' B6' B10' 99.0(2) . . . . ?
B2' C1' B6' B11' 35.72(17) . . . . ?
B2' C1' C1 B2 -69.2(2) . . . . ?
B2' C1' C1 C3 -1.2(3) . . . . ?
B2' C1' C1 B4 71.0(3) . . . . ?
B2' C1' C1 B5 147.23(19) . . . . ?
B2' C1' C1 B6 -138.65(19) . . . . ?
B2' C3' B4' C1' -35.64(16) . . . . ?
B2' C3' B4' B5' -2.4(2) . . . . ?
B2' C3' B4' B8' 98.21(19) . . . . ?
B2' C3' B4' B9' 61.5(2) . . . . ?
B2' C3' B7' B8' -133.92(19) . . . . ?
B2' C3' B7' B11' -34.28(17) . . . . ?
B2' C3' B7' B12' -97.4(2) . . . . ?
B2' C3' B8' B4' -97.93(18) . . . . ?
B2' C3' B8' B7' 38.91(17) . . . . ?
B2' C3' B8' B9' -61.9(2) . . . . ?
B2' C3' B8' B12' 2.0(2) . . . . ?
B2' B6' B10' B5' 98.94(19) . . . . ?
B2' B6' B10' B9' 61.3(2) . . . . ?
B2' B6' B10' B11' -38.91(17) . . . . ?
B2' B6' B10' B12' -2.0(2) . . . . ?
B2' B6' B11' B7' 33.93(18) . . . . ?
B2' B6' B11' B10' 134.99(19) . . . . ?
B2' B6' B11' B12' 97.53(19) . . . . ?
B2' B7' B8' C3' -40.69(16) . . . . ?
B2' B7' B8' B4' -1.8(2) . . . . ?
B2' B7' B8' B9' 61.5(2) . . . . ?
B2' B7' B8' B12' 98.8(2) . . . . ?
B2' B7' B11' B6' -34.71(19) . . . . ?
B2' B7' B11' B10' -97.3(2) . . . . ?
B2' B7' B11' B12' -135.3(2) . . . . ?
B2' B7' B12' B8' -99.8(2) . . . . ?
B2' B7' B12' B9' -62.3(2) . . . . ?
B2' B7' B12' B10' 0.9(2) . . . . ?
B2' B7' B12' B11' 38.82(18) . . . . ?
B2' B11' B12' B7' -38.21(18) . . . . ?
B2' B11' B12' B8' -1.5(3) . . . . ?
B2' B11' B12' B9' 62.5(2) . . . . ?
B2' B11' B12' B10' 99.6(2) . . . . ?
P2 C111 C112 C113 178.54(17) . . . . ?
P2 C111 C116 C115 -178.87(18) . . . . ?
P2 C121 C122 C123 173.6(2) . . . . ?
P2 C121 C126 C125 -174.24(17) . . . . ?
P2 C131 C132 C133 -177.57(16) . . . . ?
P2 C131 C136 C135 176.31(16) . . . . ?
C2' C1' B3' Ru1 110.78(16) . . . . ?
C2' C1' B3' B4' -137.45(19) . . . . ?
C2' C1' B3' B7' -35.83(16) . . . . ?
C2' C1' B3' B8' -97.54(19) . . . . ?
C2' C1' B4' B3' 38.85(17) . . . . ?
C2' C1' B4' B5' -104.2(2) . . . . ?
C2' C1' B4' B8' -1.6(2) . . . . ?
C2' C1' B4' B9' -65.3(2) . . . . ?
C2' C1' B5' B4' 101.5(2) . . . . ?
C2' C1' B5' B6' -38.59(18) . . . . ?
C2' C1' B5' B9' 62.8(2) . . . . ?
C2' C1' B5' B10' 0.3(2) . . . . ?
C2' C1' B6' B5' 138.6(2) . . . . ?
C2' C1' B6' B10' 99.0(2) . . . . ?
C2' C1' B6' B11' 35.72(17) . . . . ?
C2' C1' C1 C2 -69.2(2) . . . . ?
C2' C1' C1 B3 -1.2(3) . . . . ?
C2' C1' C1 B4 71.0(3) . . . . ?
C2' C1' C1 B5 147.23(19) . . . . ?
C2' C1' C1 B6 -138.65(19) . . . . ?
C2' B3' B4' C1' -35.64(16) . . . . ?
C2' B3' B4' B5' -2.4(2) . . . . ?
C2' B3' B4' B8' 98.21(19) . . . . ?
C2' B3' B4' B9' 61.5(2) . . . . ?
C2' B3' B7' B8' -133.92(19) . . . . ?
C2' B3' B7' B11' -34.28(17) . . . . ?
C2' B3' B7' B12' -97.4(2) . . . . ?
C2' B3' B8' B4' -97.93(18) . . . . ?
C2' B3' B8' B7' 38.91(17) . . . . ?
C2' B3' B8' B9' -61.9(2) . . . . ?
C2' B3' B8' B12' 2.0(2) . . . . ?
C2' B6' B10' B5' 98.94(19) . . . . ?
C2' B6' B10' B9' 61.3(2) . . . . ?
C2' B6' B10' B11' -38.91(17) . . . . ?
C2' B6' B10' B12' -2.0(2) . . . . ?
C2' B6' B11' B7' 33.93(18) . . . . ?
C2' B6' B11' B10' 134.99(19) . . . . ?
C2' B6' B11' B12' 97.53(19) . . . . ?
C2' B7' B8' B3' -40.69(16) . . . . ?
C2' B7' B8' B4' -1.8(2) . . . . ?
C2' B7' B8' B9' 61.5(2) . . . . ?
C2' B7' B8' B12' 98.8(2) . . . . ?
C2' B7' B11' B6' -34.71(19) . . . . ?
C2' B7' B11' B10' -97.3(2) . . . . ?
C2' B7' B11' B12' -135.3(2) . . . . ?
C2' B7' B12' B8' -99.8(2) . . . . ?
C2' B7' B12' B9' -62.3(2) . . . . ?
C2' B7' B12' B10' 0.9(2) . . . . ?
C2' B7' B12' B11' 38.82(18) . . . . ?
C2' B11' B12' B7' -38.21(18) . . . . ?
C2' B11' B12' B8' -1.5(3) . . . . ?
C2' B11' B12' B9' 62.5(2) . . . . ?
C2' B11' B12' B10' 99.6(2) . . . . ?
B3' C1' C2' B6' 144.56(19) . . . . ?
B3' C1' C2' B7' 39.21(17) . . . . ?
B3' C1' C2' B11' 106.6(2) . . . . ?
B3' C1' B4' B5' -143.1(2) . . . . ?
B3' C1' B4' B8' -40.42(16) . . . . ?
B3' C1' B4' B9' -104.2(2) . . . . ?
B3' C1' B5' B4' 34.93(18) . . . . ?
B3' C1' B5' B6' -105.2(2) . . . . ?
B3' C1' B5' B9' -3.8(2) . . . . ?
B3' C1' B5' B10' -66.3(2) . . . . ?
B3' C1' B6' C2' -33.63(17) . . . . ?
B3' C1' B6' B5' 104.9(2) . . . . ?
B3' C1' B6' B10' 65.3(2) . . . . ?
B3' C1' B6' B11' 2.1(2) . . . . ?
B3' C1' C1 C2 -0.3(2) . . . . ?
B3' C1' C1 B3 67.7(2) . . . . ?
B3' C1' C1 B4 139.91(19) . . . . ?
B3' C1' C1 B5 -143.85(18) . . . . ?
B3' C1' C1 B6 -69.7(2) . . . . ?
B3' C2' B6' C1' 33.94(18) . . . . ?
B3' C2' B6' B5' -2.1(3) . . . . ?
B3' C2' B6' B10' -65.0(2) . . . . ?
B3' C2' B6' B11' -104.8(2) . . . . ?
B3' C2' B7' B8' 40.27(16) . . . . ?
B3' C2' B7' B11' 141.89(19) . . . . ?
B3' C2' B7' B12' 103.03(19) . . . . ?
B3' C2' B11' B6' 105.0(2) . . . . ?
B3' C2' B11' B7' -36.28(18) . . . . ?
B3' C2' B11' B10' 65.9(2) . . . . ?
B3' C2' B11' B12' 3.0(3) . . . . ?
B3' B4' B5' C1' -33.98(18) . . . . ?
B3' B4' B5' B6' 1.3(3) . . . . ?
B3' B4' B5' B9' 101.5(2) . . . . ?
B3' B4' B5' B10' 63.5(2) . . . . ?
B3' B4' B8' B7' -38.83(17) . . . . ?
B3' B4' B8' B9' -139.96(18) . . . . ?
B3' B4' B8' B12' -102.85(19) . . . . ?
B3' B4' B9' B5' -102.4(2) . . . . ?
B3' B4' B9' B8' 36.16(17) . . . . ?
B3' B4' B9' B10' -64.2(2) . . . . ?
B3' B4' B9' B12' -0.6(3) . . . . ?
B3' B7' B8' B4' 38.84(17) . . . . ?
B3' B7' B8' B9' 102.2(2) . . . . ?
B3' B7' B8' B12' 139.5(2) . . . . ?
B3' B7' B11' C2' 34.80(17) . . . . ?
B3' B7' B11' B6' 0.1(3) . . . . ?
B3' B7' B11' B10' -62.5(2) . . . . ?
B3' B7' B11' B12' -100.5(2) . . . . ?
B3' B7' B12' B8' -36.25(18) . . . . ?
B3' B7' B12' B9' 1.2(3) . . . . ?
B3' B7' B12' B10' 64.5(2) . . . . ?
B3' B7' B12' B11' 102.3(2) . . . . ?
B3' B8' B9' B4' -36.40(17) . . . . ?
B3' B8' B9' B5' 1.0(3) . . . . ?
B3' B8' B9' B10' 64.6(2) . . . . ?
B3' B8' B9' B12' 102.0(2) . . . . ?
B3' B8' B12' B7' 36.87(18) . . . . ?
B3' B8' B12' B9' -101.4(2) . . . . ?
B3' B8' B12' B10' -64.1(2) . . . . ?
B3' B8' B12' B11' -0.4(3) . . . . ?
C3' C1' B2' B6' 144.56(19) . . . . ?
C3' C1' B2' B7' 39.21(17) . . . . ?
C3' C1' B2' B11' 106.6(2) . . . . ?
C3' C1' B4' B5' -143.1(2) . . . . ?
C3' C1' B4' B8' -40.42(16) . . . . ?
C3' C1' B4' B9' -104.2(2) . . . . ?
C3' C1' B5' B4' 34.93(18) . . . . ?
C3' C1' B5' B6' -105.2(2) . . . . ?
C3' C1' B5' B9' -3.8(2) . . . . ?
C3' C1' B5' B10' -66.3(2) . . . . ?
C3' C1' B6' B2' -33.63(17) . . . . ?
C3' C1' B6' B5' 104.9(2) . . . . ?
C3' C1' B6' B10' 65.3(2) . . . . ?
C3' C1' B6' B11' 2.1(2) . . . . ?
C3' C1' C1 B2 -0.3(2) . . . . ?
C3' C1' C1 C3 67.7(2) . . . . ?
C3' C1' C1 B4 139.91(19) . . . . ?
C3' C1' C1 B5 -143.85(18) . . . . ?
C3' C1' C1 B6 -69.7(2) . . . . ?
C3' B2' B6' C1' 33.94(18) . . . . ?
C3' B2' B6' B5' -2.1(3) . . . . ?
C3' B2' B6' B10' -65.0(2) . . . . ?
C3' B2' B6' B11' -104.8(2) . . . . ?
C3' B2' B7' B8' 40.27(16) . . . . ?
C3' B2' B7' B11' 141.89(19) . . . . ?
C3' B2' B7' B12' 103.03(19) . . . . ?
C3' B2' B11' B6' 105.0(2) . . . . ?
C3' B2' B11' B7' -36.28(18) . . . . ?
C3' B2' B11' B10' 65.9(2) . . . . ?
C3' B2' B11' B12' 3.0(3) . . . . ?
C3' B4' B5' C1' -33.98(18) . . . . ?
C3' B4' B5' B6' 1.3(3) . . . . ?
C3' B4' B5' B9' 101.5(2) . . . . ?
C3' B4' B5' B10' 63.5(2) . . . . ?
C3' B4' B8' B7' -38.83(17) . . . . ?
C3' B4' B8' B9' -139.96(18) . . . . ?
C3' B4' B8' B12' -102.85(19) . . . . ?
C3' B4' B9' B5' -102.4(2) . . . . ?
C3' B4' B9' B8' 36.16(17) . . . . ?
C3' B4' B9' B10' -64.2(2) . . . . ?
C3' B4' B9' B12' -0.6(3) . . . . ?
C3' B7' B8' B4' 38.84(17) . . . . ?
C3' B7' B8' B9' 102.2(2) . . . . ?
C3' B7' B8' B12' 139.5(2) . . . . ?
C3' B7' B11' B2' 34.80(17) . . . . ?
C3' B7' B11' B6' 0.1(3) . . . . ?
C3' B7' B11' B10' -62.5(2) . . . . ?
C3' B7' B11' B12' -100.5(2) . . . . ?
C3' B7' B12' B8' -36.25(18) . . . . ?
C3' B7' B12' B9' 1.2(3) . . . . ?
C3' B7' B12' B10' 64.5(2) . . . . ?
C3' B7' B12' B11' 102.3(2) . . . . ?
C3' B8' B9' B4' -36.40(17) . . . . ?
C3' B8' B9' B5' 1.0(3) . . . . ?
C3' B8' B9' B10' 64.6(2) . . . . ?
C3' B8' B9' B12' 102.0(2) . . . . ?
C3' B8' B12' B7' 36.87(18) . . . . ?
C3' B8' B12' B9' -101.4(2) . . . . ?
C3' B8' B12' B10' -64.1(2) . . . . ?
C3' B8' B12' B11' -0.4(3) . . . . ?
B4' C1' B2' C3' -38.78(17) . . . . ?
B4' C1' B2' B6' 105.8(2) . . . . ?
B4' C1' B2' B7' 0.4(2) . . . . ?
B4' C1' B2' B11' 67.8(2) . . . . ?
B4' C1' C2' B3' -38.78(17) . . . . ?
B4' C1' C2' B6' 105.8(2) . . . . ?
B4' C1' C2' B7' 0.4(2) . . . . ?
B4' C1' C2' B11' 67.8(2) . . . . ?
B4' C1' B3' Ru1 -111.77(17) . . . . ?
B4' C1' B3' C2' 137.45(19) . . . . ?
B4' C1' B3' B7' 101.62(18) . . . . ?
B4' C1' B3' B8' 39.91(17) . . . . ?
B4' C1' C3' Ru1 -111.77(17) . . . . ?
B4' C1' C3' B2' 137.45(19) . . . . ?
B4' C1' C3' B7' 101.62(18) . . . . ?
B4' C1' C3' B8' 39.91(17) . . . . ?
B4' C1' B5' B6' -140.1(2) . . . . ?
B4' C1' B5' B9' -38.70(18) . . . . ?
B4' C1' B5' B10' -101.2(2) . . . . ?
B4' C1' B6' B2' -100.5(2) . . . . ?
B4' C1' B6' C2' -100.5(2) . . . . ?
B4' C1' B6' B5' 38.1(2) . . . . ?
B4' C1' B6' B10' -1.5(3) . . . . ?
B4' C1' B6' B11' -64.8(2) . . . . ?
B4' C1' C1 B2 68.9(2) . . . . ?
B4' C1' C1 C2 68.9(2) . . . . ?
B4' C1' C1 C3 136.98(19) . . . . ?
B4' C1' C1 B3 136.98(19) . . . . ?
B4' C1' C1 B4 -150.8(2) . . . . ?
B4' C1' C1 B5 -74.6(3) . . . . ?
B4' C1' C1 B6 -0.5(3) . . . . ?
B4' B3' B7' C2' 95.83(18) . . . . ?
B4' B3' B7' B8' -38.08(17) . . . . ?
B4' B3' B7' B11' 61.6(2) . . . . ?
B4' B3' B7' B12' -1.6(2) . . . . ?
B4' B3' B8' B7' 136.84(19) . . . . ?
B4' B3' B8' B9' 36.06(17) . . . . ?
B4' B3' B8' B12' 100.0(2) . . . . ?
B4' C3' B7' B2' 95.83(18) . . . . ?
B4' C3' B7' B8' -38.08(17) . . . . ?
B4' C3' B7' B11' 61.6(2) . . . . ?
B4' C3' B7' B12' -1.6(2) . . . . ?
B4' C3' B8' B7' 136.84(19) . . . . ?
B4' C3' B8' B9' 36.06(17) . . . . ?
B4' C3' B8' B12' 100.0(2) . . . . ?
B4' B5' B6' C1' -34.96(18) . . . . ?
B4' B5' B6' B2' 0.4(3) . . . . ?
B4' B5' B6' C2' 0.4(3) . . . . ?
B4' B5' B6' B10' 100.2(2) . . . . ?
B4' B5' B6' B11' 62.0(2) . . . . ?
B4' B5' B9' B8' -36.67(18) . . . . ?
B4' B5' B9' B10' -137.3(2) . . . . ?
B4' B5' B9' B12' -99.8(2) . . . . ?
B4' B5' B10' B6' -100.1(2) . . . . ?
B4' B5' B10' B9' 37.69(18) . . . . ?
B4' B5' B10' B11' -62.3(2) . . . . ?
B4' B5' B10' B12' 0.4(2) . . . . ?
B4' B8' B9' B5' 37.44(18) . . . . ?
B4' B8' B9' B10' 101.0(2) . . . . ?
B4' B8' B9' B12' 138.4(2) . . . . ?
B4' B8' B12' B7' 101.2(2) . . . . ?
B4' B8' B12' B9' -37.06(19) . . . . ?
B4' B8' B12' B10' 0.2(2) . . . . ?
B4' B8' B12' B11' 64.0(2) . . . . ?
B4' B9' B10' B5' -38.56(19) . . . . ?
B4' B9' B10' B6' -0.6(3) . . . . ?
B4' B9' B10' B11' 62.8(3) . . . . ?
B4' B9' B10' B12' 99.6(2) . . . . ?
B4' B9' B12' B7' -0.4(3) . . . . ?
B4' B9' B12' B8' 36.57(18) . . . . ?
B4' B9' B12' B10' -101.7(2) . . . . ?
B4' B9' B12' B11' -64.3(2) . . . . ?
B5' C1' B2' C3' -105.92(19) . . . . ?
B5' C1' B2' B6' 38.64(18) . . . . ?
B5' C1' B2' B7' -66.7(2) . . . . ?
B5' C1' B2' B11' 0.7(2) . . . . ?
B5' C1' C2' B3' -105.92(19) . . . . ?
B5' C1' C2' B6' 38.64(18) . . . . ?
B5' C1' C2' B7' -66.7(2) . . . . ?
B5' C1' C2' B11' 0.7(2) . . . . ?
B5' C1' B3' Ru1 -147.32(15) . . . . ?
B5' C1' B3' C2' 101.9(2) . . . . ?
B5' C1' B3' B4' -35.55(18) . . . . ?
B5' C1' B3' B7' 66.1(2) . . . . ?
B5' C1' B3' B8' 4.4(2) . . . . ?
B5' C1' C3' Ru1 -147.32(15) . . . . ?
B5' C1' C3' B2' 101.9(2) . . . . ?
B5' C1' C3' B4' -35.55(18) . . . . ?
B5' C1' C3' B7' 66.1(2) . . . . ?
B5' C1' C3' B8' 4.4(2) . . . . ?
B5' C1' B4' B3' 143.1(2) . . . . ?
B5' C1' B4' C3' 143.1(2) . . . . ?
B5' C1' B4' B8' 102.6(2) . . . . ?
B5' C1' B4' B9' 38.87(19) . . . . ?
B5' C1' B6' B2' -138.6(2) . . . . ?
B5' C1' B6' C2' -138.6(2) . . . . ?
B5' C1' B6' B10' -39.59(19) . . . . ?
B5' C1' B6' B11' -102.9(2) . . . . ?
B5' C1' C1 B2 144.07(18) . . . . ?
B5' C1' C1 C2 144.07(18) . . . . ?
B5' C1' C1 C3 -147.87(19) . . . . ?
B5' C1' C1 B3 -147.87(19) . . . . ?
B5' C1' C1 B4 -75.7(3) . . . . ?
B5' C1' C1 B5 0.5(3) . . . . ?
B5' C1' C1 B6 74.7(2) . . . . ?
B5' B4' B8' B3' 102.87(19) . . . . ?
B5' B4' B8' C3' 102.87(19) . . . . ?
B5' B4' B8' B7' 64.0(2) . . . . ?
B5' B4' B8' B9' -37.10(18) . . . . ?
B5' B4' B8' B12' 0.0(2) . . . . ?
B5' B4' B9' B8' 138.6(2) . . . . ?
B5' B4' B9' B10' 38.21(19) . . . . ?
B5' B4' B9' B12' 101.8(2) . . . . ?
B5' B6' B10' B9' -37.62(19) . . . . ?
B5' B6' B10' B11' -137.84(19) . . . . ?
B5' B6' B10' B12' -100.9(2) . . . . ?
B5' B6' B11' B2' -97.00(19) . . . . ?
B5' B6' B11' C2' -97.00(19) . . . . ?
B5' B6' B11' B7' -63.1(2) . . . . ?
B5' B6' B11' B10' 37.99(17) . . . . ?
B5' B6' B11' B12' 0.5(2) . . . . ?
B5' B9' B10' B6' 37.91(19) . . . . ?
B5' B9' B10' B11' 101.4(2) . . . . ?
B5' B9' B10' B12' 138.2(2) . . . . ?
B5' B9' B12' B7' 63.8(2) . . . . ?
B5' B9' B12' B8' 100.8(2) . . . . ?
B5' B9' B12' B10' -37.47(18) . . . . ?
B5' B9' B12' B11' -0.1(2) . . . . ?
B5' B10' B11' B2' 1.5(3) . . . . ?
B5' B10' B11' C2' 1.5(3) . . . . ?
B5' B10' B11' B6' -37.96(19) . . . . ?
B5' B10' B11' B7' 62.4(3) . . . . ?
B5' B10' B11' B12' 100.3(2) . . . . ?
B5' B10' B12' B7' -63.1(2) . . . . ?
B5' B10' B12' B8' -0.4(3) . . . . ?
B5' B10' B12' B9' 37.24(18) . . . . ?
B5' B10' B12' B11' -101.1(2) . . . . ?
B6' C1' B2' C3' -144.56(19) . . . . ?
B6' C1' B2' B7' -105.4(2) . . . . ?
B6' C1' B2' B11' -37.97(18) . . . . ?
B6' C1' C2' B3' -144.56(19) . . . . ?
B6' C1' C2' B7' -105.4(2) . . . . ?
B6' C1' C2' B11' -37.97(18) . . . . ?
B6' C1' B3' Ru1 144.60(15) . . . . ?
B6' C1' B3' C2' 33.82(18) . . . . ?
B6' C1' B3' B4' -103.6(2) . . . . ?
B6' C1' B3' B7' -2.0(2) . . . . ?
B6' C1' B3' B8' -63.7(2) . . . . ?
B6' C1' C3' Ru1 144.60(15) . . . . ?
B6' C1' C3' B2' 33.82(18) . . . . ?
B6' C1' C3' B4' -103.6(2) . . . . ?
B6' C1' C3' B7' -2.0(2) . . . . ?
B6' C1' C3' B8' -63.7(2) . . . . ?
B6' C1' B4' B3' 105.3(2) . . . . ?
B6' C1' B4' C3' 105.3(2) . . . . ?
B6' C1' B4' B5' -37.73(19) . . . . ?
B6' C1' B4' B8' 64.9(2) . . . . ?
B6' C1' B4' B9' 1.1(3) . . . . ?
B6' C1' B5' B4' 140.1(2) . . . . ?
B6' C1' B5' B9' 101.4(2) . . . . ?
B6' C1' B5' B10' 38.89(18) . . . . ?
B6' C1' C1 B2 -141.41(18) . . . . ?
B6' C1' C1 C2 -141.41(18) . . . . ?
B6' C1' C1 C3 -73.3(2) . . . . ?
B6' C1' C1 B3 -73.3(2) . . . . ?
B6' C1' C1 B4 -1.2(3) . . . . ?
B6' C1' C1 B5 75.1(3) . . . . ?
B6' C1' C1 B6 149.18(19) . . . . ?
B6' B2' C3' C1' -33.49(18) . . . . ?
B6' B2' C3' Ru1 -133.50(18) . . . . ?
B6' B2' C3' B4' 2.8(3) . . . . ?
B6' B2' C3' B7' 104.3(2) . . . . ?
B6' B2' C3' B8' 64.4(2) . . . . ?
B6' B2' B7' C3' -105.3(2) . . . . ?
B6' B2' B7' B8' -65.1(2) . . . . ?
B6' B2' B7' B11' 36.55(18) . . . . ?
B6' B2' B7' B12' -2.3(2) . . . . ?
B6' B2' B11' B7' -141.3(2) . . . . ?
B6' B2' B11' B10' -39.08(18) . . . . ?
B6' B2' B11' B12' -102.0(2) . . . . ?
B6' C2' B3' C1' -33.49(18) . . . . ?
B6' C2' B3' Ru1 -133.50(18) . . . . ?
B6' C2' B3' B4' 2.8(3) . . . . ?
B6' C2' B3' B7' 104.3(2) . . . . ?
B6' C2' B3' B8' 64.4(2) . . . . ?
B6' C2' B7' B3' -105.3(2) . . . . ?
B6' C2' B7' B8' -65.1(2) . . . . ?
B6' C2' B7' B11' 36.55(18) . . . . ?
B6' C2' B7' B12' -2.3(2) . . . . ?
B6' C2' B11' B7' -141.3(2) . . . . ?
B6' C2' B11' B10' -39.08(18) . . . . ?
B6' C2' B11' B12' -102.0(2) . . . . ?
B6' B5' B9' B4' 100.19(19) . . . . ?
B6' B5' B9' B8' 63.5(2) . . . . ?
B6' B5' B9' B10' -37.14(17) . . . . ?
B6' B5' B9' B12' 0.4(2) . . . . ?
B6' B5' B10' B9' 137.8(2) . . . . ?
B6' B5' B10' B11' 37.81(18) . . . . ?
B6' B5' B10' B12' 100.5(2) . . . . ?
B6' B10' B11' B2' 39.47(17) . . . . ?
B6' B10' B11' C2' 39.47(17) . . . . ?
B6' B10' B11' B7' 100.4(2) . . . . ?
B6' B10' B11' B12' 138.26(19) . . . . ?
B6' B10' B12' B7' 0.7(2) . . . . ?
B6' B10' B12' B8' 63.5(2) . . . . ?
B6' B10' B12' B9' 101.1(2) . . . . ?
B6' B10' B12' B11' -37.28(18) . . . . ?
B6' B11' B12' B7' -101.0(2) . . . . ?
B6' B11' B12' B8' -64.2(2) . . . . ?
B6' B11' B12' B9' -0.3(2) . . . . ?
B6' B11' B12' B10' 36.88(17) . . . . ?
B7' B2' C3' C1' -137.75(19) . . . . ?
B7' B2' C3' Ru1 122.25(18) . . . . ?
B7' B2' C3' B4' -101.47(19) . . . . ?
B7' B2' C3' B8' -39.86(18) . . . . ?
B7' B2' B6' C1' 101.7(2) . . . . ?
B7' B2' B6' B5' 65.7(2) . . . . ?
B7' B2' B6' B10' 2.8(3) . . . . ?
B7' B2' B6' B11' -37.10(19) . . . . ?
B7' B2' B11' B6' 141.3(2) . . . . ?
B7' B2' B11' B10' 102.2(2) . . . . ?
B7' B2' B11' B12' 39.24(18) . . . . ?
B7' C2' B3' C1' -137.75(19) . . . . ?
B7' C2' B3' Ru1 122.25(18) . . . . ?
B7' C2' B3' B4' -101.47(19) . . . . ?
B7' C2' B3' B8' -39.86(18) . . . . ?
B7' C2' B6' C1' 101.7(2) . . . . ?
B7' C2' B6' B5' 65.7(2) . . . . ?
B7' C2' B6' B10' 2.8(3) . . . . ?
B7' C2' B6' B11' -37.10(19) . . . . ?
B7' C2' B11' B6' 141.3(2) . . . . ?
B7' C2' B11' B10' 102.2(2) . . . . ?
B7' C2' B11' B12' 39.24(18) . . . . ?
B7' B3' B4' C1' -95.72(17) . . . . ?
B7' B3' B4' B5' -62.5(2) . . . . ?
B7' B3' B4' B8' 38.12(17) . . . . ?
B7' B3' B4' B9' 1.4(2) . . . . ?
B7' B3' B8' B4' -136.84(19) . . . . ?
B7' B3' B8' B9' -100.8(2) . . . . ?
B7' B3' B8' B12' -36.86(19) . . . . ?
B7' C3' B4' C1' -95.72(17) . . . . ?
B7' C3' B4' B5' -62.5(2) . . . . ?
B7' C3' B4' B8' 38.12(17) . . . . ?
B7' C3' B4' B9' 1.4(2) . . . . ?
B7' C3' B8' B4' -136.84(19) . . . . ?
B7' C3' B8' B9' -100.8(2) . . . . ?
B7' C3' B8' B12' -36.86(19) . . . . ?
B7' B8' B9' B4' -100.8(2) . . . . ?
B7' B8' B9' B5' -63.3(2) . . . . ?
B7' B8' B9' B10' 0.2(3) . . . . ?
B7' B8' B9' B12' 37.65(19) . . . . ?
B7' B8' B12' B9' -138.3(2) . . . . ?
B7' B8' B12' B10' -101.0(2) . . . . ?
B7' B8' B12' B11' -37.25(19) . . . . ?
B7' B11' B12' B8' 36.72(19) . . . . ?
B7' B11' B12' B9' 100.7(2) . . . . ?
B7' B11' B12' B10' 137.8(2) . . . . ?
B8' B3' B4' C1' -133.84(18) . . . . ?
B8' B3' B4' B5' -100.6(2) . . . . ?
B8' B3' B4' B9' -36.73(18) . . . . ?
B8' B3' B7' C2' 133.92(19) . . . . ?
B8' B3' B7' B11' 99.6(2) . . . . ?
B8' B3' B7' B12' 36.47(18) . . . . ?
B8' C3' B4' C1' -133.84(18) . . . . ?
B8' C3' B4' B5' -100.6(2) . . . . ?
B8' C3' B4' B9' -36.73(18) . . . . ?
B8' C3' B7' B2' 133.92(19) . . . . ?
B8' C3' B7' B11' 99.6(2) . . . . ?
B8' C3' B7' B12' 36.47(18) . . . . ?
B8' B4' B5' C1' -97.8(2) . . . . ?
B8' B4' B5' B6' -62.5(2) . . . . ?
B8' B4' B5' B9' 37.73(19) . . . . ?
B8' B4' B5' B10' -0.2(2) . . . . ?
B8' B4' B9' B5' -138.6(2) . . . . ?
B8' B4' B9' B10' -100.4(2) . . . . ?
B8' B4' B9' B12' -36.79(18) . . . . ?
B8' B7' B11' B2' 98.2(2) . . . . ?
B8' B7' B11' C2' 98.2(2) . . . . ?
B8' B7' B11' B6' 63.5(2) . . . . ?
B8' B7' B11' B10' 0.9(3) . . . . ?
B8' B7' B11' B12' -37.09(19) . . . . ?
B8' B7' B12' B9' 37.50(19) . . . . ?
B8' B7' B12' B10' 100.7(2) . . . . ?
B8' B7' B12' B11' 138.6(2) . . . . ?
B8' B9' B10' B5' -101.1(2) . . . . ?
B8' B9' B10' B6' -63.2(3) . . . . ?
B8' B9' B10' B11' 0.3(3) . . . . ?
B8' B9' B10' B12' 37.14(19) . . . . ?
B8' B9' B12' B7' -36.95(18) . . . . ?
B8' B9' B12' B10' -138.2(2) . . . . ?
B8' B9' B12' B11' -100.9(2) . . . . ?
B9' B4' B5' C1' -135.5(2) . . . . ?
B9' B4' B5' B6' -100.2(2) . . . . ?
B9' B4' B5' B10' -37.97(18) . . . . ?
B9' B4' B8' B3' 139.96(18) . . . . ?
B9' B4' B8' C3' 139.96(18) . . . . ?
B9' B4' B8' B7' 101.1(2) . . . . ?
B9' B4' B8' B12' 37.11(18) . . . . ?
B9' B5' B6' C1' -97.5(2) . . . . ?
B9' B5' B6' B2' -62.2(2) . . . . ?
B9' B5' B6' C2' -62.2(2) . . . . ?
B9' B5' B6' B10' 37.56(18) . . . . ?
B9' B5' B6' B11' -0.6(2) . . . . ?
B9' B5' B10' B6' -137.8(2) . . . . ?
B9' B5' B10' B11' -100.0(2) . . . . ?
B9' B5' B10' B12' -37.31(19) . . . . ?
B9' B8' B12' B7' 138.3(2) . . . . ?
B9' B8' B12' B10' 37.28(19) . . . . ?
B9' B8' B12' B11' 101.0(2) . . . . ?
B9' B10' B11' B2' -61.7(3) . . . . ?
B9' B10' B11' C2' -61.7(3) . . . . ?
B9' B10' B11' B6' -101.1(2) . . . . ?
B9' B10' B11' B7' -0.7(3) . . . . ?
B9' B10' B11' B12' 37.1(2) . . . . ?
B9' B10' B12' B7' -100.4(2) . . . . ?
B9' B10' B12' B8' -37.61(18) . . . . ?
B9' B10' B12' B11' -138.3(2) . . . . ?
B10' B5' B6' C1' -135.1(2) . . . . ?
B10' B5' B6' B2' -99.7(2) . . . . ?
B10' B5' B6' C2' -99.7(2) . . . . ?
B10' B5' B6' B11' -38.15(18) . . . . ?
B10' B5' B9' B4' 137.3(2) . . . . ?
B10' B5' B9' B8' 100.7(2) . . . . ?
B10' B5' B9' B12' 37.56(18) . . . . ?
B10' B6' B11' B2' -134.99(19) . . . . ?
B10' B6' B11' C2' -134.99(19) . . . . ?
B10' B6' B11' B7' -101.1(2) . . . . ?
B10' B6' B11' B12' -37.46(17) . . . . ?
B10' B9' B12' B7' 101.3(2) . . . . ?
B10' B9' B12' B8' 138.2(2) . . . . ?
B10' B9' B12' B11' 37.37(18) . . . . ?
B10' B11' B12' B7' -137.8(2) . . . . ?
B10' B11' B12' B8' -101.1(2) . . . . ?
B10' B11' B12' B9' -37.15(18) . . . . ?
B11' B2' C3' C1' -101.0(2) . . . . ?
B11' B2' C3' Ru1 158.95(16) . . . . ?
B11' B2' C3' B4' -64.8(2) . . . . ?
B11' B2' C3' B7' 36.70(19) . . . . ?
B11' B2' C3' B8' -3.2(2) . . . . ?
B11' B2' B6' C1' 138.77(19) . . . . ?
B11' B2' B6' B5' 102.8(2) . . . . ?
B11' B2' B6' B10' 39.87(18) . . . . ?
B11' B2' B7' C3' -141.89(19) . . . . ?
B11' B2' B7' B8' -101.6(2) . . . . ?
B11' B2' B7' B12' -38.86(17) . . . . ?
B11' C2' B3' C1' -101.0(2) . . . . ?
B11' C2' B3' Ru1 158.95(16) . . . . ?
B11' C2' B3' B4' -64.8(2) . . . . ?
B11' C2' B3' B7' 36.70(19) . . . . ?
B11' C2' B3' B8' -3.2(2) . . . . ?
B11' C2' B6' C1' 138.77(19) . . . . ?
B11' C2' B6' B5' 102.8(2) . . . . ?
B11' C2' B6' B10' 39.87(18) . . . . ?
B11' C2' B7' B3' -141.89(19) . . . . ?
B11' C2' B7' B8' -101.6(2) . . . . ?
B11' C2' B7' B12' -38.86(17) . . . . ?
B11' B6' B10' B5' 137.84(19) . . . . ?
B11' B6' B10' B9' 100.2(2) . . . . ?
B11' B6' B10' B12' 36.90(17) . . . . ?
B11' B7' B8' B3' -102.8(2) . . . . ?
B11' B7' B8' C3' -102.8(2) . . . . ?
B11' B7' B8' B4' -64.0(2) . . . . ?
B11' B7' B8' B9' -0.7(3) . . . . ?
B11' B7' B8' B12' 36.7(2) . . . . ?
B11' B7' B12' B8' -138.6(2) . . . . ?
B11' B7' B12' B9' -101.1(2) . . . . ?
B11' B7' B12' B10' -37.88(18) . . . . ?
B11' B10' B12' B7' 37.98(18) . . . . ?
B11' B10' B12' B8' 100.7(2) . . . . ?
B11' B10' B12' B9' 138.3(2) . . . . ?
B12' B7' B8' B3' -139.5(2) . . . . ?
B12' B7' B8' C3' -139.5(2) . . . . ?
B12' B7' B8' B4' -100.7(2) . . . . ?
B12' B7' B8' B9' -37.4(2) . . . . ?
B12' B7' B11' B2' 135.3(2) . . . . ?
B12' B7' B11' C2' 135.3(2) . . . . ?
B12' B7' B11' B6' 100.6(2) . . . . ?
B12' B7' B11' B10' 38.0(2) . . . . ?
B12' B8' B9' B4' -138.4(2) . . . . ?
B12' B8' B9' B5' -101.0(2) . . . . ?
B12' B8' B9' B10' -37.4(2) . . . . ?
B12' B9' B10' B5' -138.2(2) . . . . ?
B12' B9' B10' B6' -100.3(2) . . . . ?
B12' B9' B10' B11' -36.8(2) . . . . ?
B12' B10' B11' B2' -98.78(19) . . . . ?
B12' B10' B11' C2' -98.78(19) . . . . ?
B12' B10' B11' B6' -138.26(19) . . . . ?
B12' B10' B11' B7' -37.86(19) . . . . ?
C111 P2 C121 C122 16.8(2) . . . . ?
C111 P2 C121 C126 -168.03(17) . . . . ?
C111 P2 C131 C132 115.34(18) . . . . ?
C111 P2 C131 C136 -60.74(18) . . . . ?
C111 C112 C113 C114 0.0(3) . . . . ?
C112 C111 C116 C115 -1.0(3) . . . . ?
C112 C113 C114 C115 -0.6(4) . . . . ?
C113 C114 C115 C116 0.3(4) . . . . ?
C114 C115 C116 C111 0.5(4) . . . . ?
C116 C111 C112 C113 0.8(3) . . . . ?
C121 P2 C111 C112 -98.3(2) . . . . ?
C121 P2 C111 C116 79.52(19) . . . . ?
C121 P2 C131 C132 7.3(2) . . . . ?
C121 P2 C131 C136 -168.74(16) . . . . ?
C121 C122 C123 C124 1.2(4) . . . . ?
C122 C121 C126 C125 1.1(3) . . . . ?
C122 C123 C124 C125 0.0(4) . . . . ?
C123 C124 C125 C126 -0.7(4) . . . . ?
C124 C125 C126 C121 0.2(3) . . . . ?
C126 C121 C122 C123 -1.7(4) . . . . ?
C131 P2 C111 C112 151.69(18) . . . . ?
C131 P2 C111 C116 -30.5(2) . . . . ?
C131 P2 C121 C122 122.28(19) . . . . ?
C131 P2 C121 C126 -62.50(19) . . . . ?
C131 C132 C133 C134 1.6(3) . . . . ?
C132 C131 C136 C135 0.0(3) . . . . ?
C132 C133 C134 C135 -0.1(3) . . . . ?
C133 C134 C135 C136 -1.5(3) . . . . ?
C134 C135 C136 C131 1.5(3) . . . . ?
C136 C131 C132 C133 -1.6(3) . . . . ?
C1 C1' B2' C3' 103.56(19) . . . . ?
C1 C1' B2' B6' -111.9(2) . . . . ?
C1 C1' B2' B7' 142.77(19) . . . . ?
C1 C1' B2' B11' -149.85(18) . . . . ?
C1 C1' C2' B3' 103.56(19) . . . . ?
C1 C1' C2' B6' -111.9(2) . . . . ?
C1 C1' C2' B7' 142.77(19) . . . . ?
C1 C1' C2' B11' -149.85(18) . . . . ?
C1 C1' B3' Ru1 0.6(2) . . . . ?
C1 C1' B3' C2' -110.2(2) . . . . ?
C1 C1' B3' B4' 112.4(2) . . . . ?
C1 C1' B3' B7' -146.00(18) . . . . ?
C1 C1' B3' B8' 152.30(18) . . . . ?
C1 C1' C3' Ru1 0.6(2) . . . . ?
C1 C1' C3' B2' -110.2(2) . . . . ?
C1 C1' C3' B4' 112.4(2) . . . . ?
C1 C1' C3' B7' -146.00(18) . . . . ?
C1 C1' C3' B8' 152.30(18) . . . . ?
C1 C1' B4' B3' -102.6(2) . . . . ?
C1 C1' B4' C3' -102.6(2) . . . . ?
C1 C1' B4' B5' 114.3(2) . . . . ?
C1 C1' B4' B8' -143.06(19) . . . . ?
C1 C1' B4' B9' 153.2(2) . . . . ?
C1 C1' B5' B4' -109.7(2) . . . . ?
C1 C1' B5' B6' 110.2(2) . . . . ?
C1 C1' B5' B9' -148.40(19) . . . . ?
C1 C1' B5' B10' 149.1(2) . . . . ?
C1 C1' B6' B2' 107.7(2) . . . . ?
C1 C1' B6' C2' 107.7(2) . . . . ?
C1 C1' B6' B5' -113.7(2) . . . . ?
C1 C1' B6' B10' -153.3(2) . . . . ?
C1 C1' B6' B11' 143.4(2) . . . . ?
C1 B2 C3 B4 33.88(18) . . . . ?
C1 B2 C3 B7 137.69(19) . . . . ?
C1 B2 C3 B8 100.5(2) . . . . ?
C1 B2 B6 B5 -33.99(18) . . . . ?
C1 B2 B6 B10 -98.86(19) . . . . ?
C1 B2 B6 B11 -136.45(17) . . . . ?
C1 B2 B7 C3 -36.57(16) . . . . ?
C1 B2 B7 B8 -1.5(2) . . . . ?
C1 B2 B7 B11 99.36(17) . . . . ?
C1 B2 B7 B12 61.9(2) . . . . ?
C1 B2 B11 B6 37.63(15) . . . . ?
C1 B2 B11 B7 -99.41(17) . . . . ?
C1 B2 B11 B10 1.1(2) . . . . ?
C1 B2 B11 B12 -62.1(2) . . . . ?
C1 C2 B3 B4 33.88(18) . . . . ?
C1 C2 B3 B7 137.69(19) . . . . ?
C1 C2 B3 B8 100.5(2) . . . . ?
C1 C2 B6 B5 -33.99(18) . . . . ?
C1 C2 B6 B10 -98.86(19) . . . . ?
C1 C2 B6 B11 -136.45(17) . . . . ?
C1 C2 B7 B3 -36.57(16) . . . . ?
C1 C2 B7 B8 -1.5(2) . . . . ?
C1 C2 B7 B11 99.36(17) . . . . ?
C1 C2 B7 B12 61.9(2) . . . . ?
C1 C2 B11 B6 37.63(15) . . . . ?
C1 C2 B11 B7 -99.41(17) . . . . ?
C1 C2 B11 B10 1.1(2) . . . . ?
C1 C2 B11 B12 -62.1(2) . . . . ?
C1 C3 B4 B5 35.50(18) . . . . ?
C1 C3 B4 B8 137.30(19) . . . . ?
C1 C3 B4 B9 98.49(19) . . . . ?
C1 C3 B7 B2 38.33(16) . . . . ?
C1 C3 B7 B8 -102.2(2) . . . . ?
C1 C3 B7 B11 -0.7(2) . . . . ?
C1 C3 B7 B12 -64.0(2) . . . . ?
C1 C3 B8 B4 -38.86(17) . . . . ?
C1 C3 B8 B7 101.9(2) . . . . ?
C1 C3 B8 B9 0.0(2) . . . . ?
C1 C3 B8 B12 63.4(2) . . . . ?
C1 B3 B4 B5 35.50(18) . . . . ?
C1 B3 B4 B8 137.30(19) . . . . ?
C1 B3 B4 B9 98.49(19) . . . . ?
C1 B3 B7 C2 38.33(16) . . . . ?
C1 B3 B7 B8 -102.2(2) . . . . ?
C1 B3 B7 B11 -0.7(2) . . . . ?
C1 B3 B7 B12 -64.0(2) . . . . ?
C1 B3 B8 B4 -38.86(17) . . . . ?
C1 B3 B8 B7 101.9(2) . . . . ?
C1 B3 B8 B9 0.0(2) . . . . ?
C1 B3 B8 B12 63.4(2) . . . . ?
C1 B4 B5 B6 34.99(18) . . . . ?
C1 B4 B5 B9 134.7(2) . . . . ?
C1 B4 B5 B10 97.5(2) . . . . ?
C1 B4 B8 C3 36.44(17) . . . . ?
C1 B4 B8 B3 36.44(17) . . . . ?
C1 B4 B8 B7 1.5(2) . . . . ?
C1 B4 B8 B9 -99.51(19) . . . . ?
C1 B4 B8 B12 -62.6(2) . . . . ?
C1 B4 B9 B5 -39.09(17) . . . . ?
C1 B4 B9 B8 98.41(19) . . . . ?
C1 B4 B9 B10 -1.7(3) . . . . ?
C1 B4 B9 B12 61.8(2) . . . . ?
C1 B5 B6 B2 33.96(17) . . . . ?
C1 B5 B6 C2 33.96(17) . . . . ?
C1 B5 B6 B10 135.7(2) . . . . ?
C1 B5 B6 B11 98.2(2) . . . . ?
C1 B5 B9 B4 39.49(17) . . . . ?
C1 B5 B9 B8 1.6(2) . . . . ?
C1 B5 B9 B10 -98.7(2) . . . . ?
C1 B5 B9 B12 -61.8(2) . . . . ?
C1 B5 B10 B6 -38.13(16) . . . . ?
C1 B5 B10 B9 99.3(2) . . . . ?
C1 B5 B10 B11 -1.7(2) . . . . ?
C1 B5 B10 B12 62.1(2) . . . . ?
C1 B6 B10 B5 39.06(17) . . . . ?
C1 B6 B10 B9 1.1(3) . . . . ?
C1 B6 B10 B11 -100.10(19) . . . . ?
C1 B6 B10 B12 -62.5(2) . . . . ?
C1 B6 B11 B2 -38.32(15) . . . . ?
C1 B6 B11 C2 -38.32(15) . . . . ?
C1 B6 B11 B7 -0.2(2) . . . . ?
C1 B6 B11 B10 100.49(19) . . . . ?
C1 B6 B11 B12 63.3(2) . . . . ?
B2 C1 C3 B4 -143.7(2) . . . . ?
B2 C1 C3 B7 -38.62(16) . . . . ?
B2 C1 C3 B8 -104.6(2) . . . . ?
B2 C1 B4 C3 34.15(18) . . . . ?
B2 C1 B4 B5 -105.0(2) . . . . ?
B2 C1 B4 B8 -2.6(2) . . . . ?
B2 C1 B4 B9 -65.1(2) . . . . ?
B2 C1 B5 B4 104.24(19) . . . . ?
B2 C1 B5 B6 -35.93(17) . . . . ?
B2 C1 B5 B9 64.8(2) . . . . ?
B2 C1 B5 B10 2.5(2) . . . . ?
B2 C1 B6 B5 142.30(19) . . . . ?
B2 C1 B6 B10 102.7(2) . . . . ?
B2 C1 B6 B11 38.58(16) . . . . ?
B2 C3 B4 C1 -33.76(18) . . . . ?
B2 C3 B4 B5 1.7(3) . . . . ?
B2 C3 B4 B8 103.5(2) . . . . ?
B2 C3 B4 B9 64.7(2) . . . . ?
B2 C3 B7 B8 -140.49(19) . . . . ?
B2 C3 B7 B11 -38.99(16) . . . . ?
B2 C3 B7 B12 -102.30(18) . . . . ?
B2 C3 B8 B4 -103.9(2) . . . . ?
B2 C3 B8 B7 36.86(17) . . . . ?
B2 C3 B8 B9 -65.0(2) . . . . ?
B2 C3 B8 B12 -1.7(3) . . . . ?
B2 B6 B10 B5 102.0(2) . . . . ?
B2 B6 B10 B9 64.0(2) . . . . ?
B2 B6 B10 B11 -37.18(17) . . . . ?
B2 B6 B10 B12 0.4(2) . . . . ?
B2 B6 B11 B7 38.10(16) . . . . ?
B2 B6 B11 B10 138.82(18) . . . . ?
B2 B6 B11 B12 101.60(19) . . . . ?
B2 B7 B8 C3 -35.32(17) . . . . ?
B2 B7 B8 B4 0.0(2) . . . . ?
B2 B7 B8 B9 63.5(2) . . . . ?
B2 B7 B8 B12 101.4(2) . . . . ?
B2 B7 B11 B6 -38.28(16) . . . . ?
B2 B7 B11 B10 -100.8(2) . . . . ?
B2 B7 B11 B12 -138.49(19) . . . . ?
B2 B7 B12 B8 -100.7(2) . . . . ?
B2 B7 B12 B9 -63.4(2) . . . . ?
B2 B7 B12 B10 -0.3(2) . . . . ?
B2 B7 B12 B11 37.30(17) . . . . ?
B2 B11 B12 B7 -37.09(18) . . . . ?
B2 B11 B12 B8 0.1(3) . . . . ?
B2 B11 B12 B9 63.0(2) . . . . ?
B2 B11 B12 B10 100.5(2) . . . . ?
C2 C1 B3 B4 -143.7(2) . . . . ?
C2 C1 B3 B7 -38.62(16) . . . . ?
C2 C1 B3 B8 -104.6(2) . . . . ?
C2 C1 B4 B3 34.15(18) . . . . ?
C2 C1 B4 B5 -105.0(2) . . . . ?
C2 C1 B4 B8 -2.6(2) . . . . ?
C2 C1 B4 B9 -65.1(2) . . . . ?
C2 C1 B5 B4 104.24(19) . . . . ?
C2 C1 B5 B6 -35.93(17) . . . . ?
C2 C1 B5 B9 64.8(2) . . . . ?
C2 C1 B5 B10 2.5(2) . . . . ?
C2 C1 B6 B5 142.30(19) . . . . ?
C2 C1 B6 B10 102.7(2) . . . . ?
C2 C1 B6 B11 38.58(16) . . . . ?
C2 B3 B4 C1 -33.76(18) . . . . ?
C2 B3 B4 B5 1.7(3) . . . . ?
C2 B3 B4 B8 103.5(2) . . . . ?
C2 B3 B4 B9 64.7(2) . . . . ?
C2 B3 B7 B8 -140.49(19) . . . . ?
C2 B3 B7 B11 -38.99(16) . . . . ?
C2 B3 B7 B12 -102.30(18) . . . . ?
C2 B3 B8 B4 -103.9(2) . . . . ?
C2 B3 B8 B7 36.86(17) . . . . ?
C2 B3 B8 B9 -65.0(2) . . . . ?
C2 B3 B8 B12 -1.7(3) . . . . ?
C2 B6 B10 B5 102.0(2) . . . . ?
C2 B6 B10 B9 64.0(2) . . . . ?
C2 B6 B10 B11 -37.18(17) . . . . ?
C2 B6 B10 B12 0.4(2) . . . . ?
C2 B6 B11 B7 38.10(16) . . . . ?
C2 B6 B11 B10 138.82(18) . . . . ?
C2 B6 B11 B12 101.60(19) . . . . ?
C2 B7 B8 B3 -35.32(17) . . . . ?
C2 B7 B8 B4 0.0(2) . . . . ?
C2 B7 B8 B9 63.5(2) . . . . ?
C2 B7 B8 B12 101.4(2) . . . . ?
C2 B7 B11 B6 -38.28(16) . . . . ?
C2 B7 B11 B10 -100.8(2) . . . . ?
C2 B7 B11 B12 -138.49(19) . . . . ?
C2 B7 B12 B8 -100.7(2) . . . . ?
C2 B7 B12 B9 -63.4(2) . . . . ?
C2 B7 B12 B10 -0.3(2) . . . . ?
C2 B7 B12 B11 37.30(17) . . . . ?
C2 B11 B12 B7 -37.09(18) . . . . ?
C2 B11 B12 B8 0.1(3) . . . . ?
C2 B11 B12 B9 63.0(2) . . . . ?
C2 B11 B12 B10 100.5(2) . . . . ?
C3 C1 B2 Ru1 -110.35(17) . . . . ?
C3 C1 B2 B6 137.78(19) . . . . ?
C3 C1 B2 B7 36.87(17) . . . . ?
C3 C1 B2 B11 99.60(18) . . . . ?
C3 C1 B4 B5 -139.2(2) . . . . ?
C3 C1 B4 B8 -36.78(18) . . . . ?
C3 C1 B4 B9 -99.3(2) . . . . ?
C3 C1 B5 B4 37.86(18) . . . . ?
C3 C1 B5 B6 -102.31(19) . . . . ?
C3 C1 B5 B9 -1.6(2) . . . . ?
C3 C1 B5 B10 -63.9(2) . . . . ?
C3 C1 B6 B2 -38.76(16) . . . . ?
C3 C1 B6 B5 103.5(2) . . . . ?
C3 C1 B6 B10 63.9(2) . . . . ?
C3 C1 B6 B11 -0.2(2) . . . . ?
C3 B2 B6 C1 36.42(16) . . . . ?
C3 B2 B6 B5 2.4(2) . . . . ?
C3 B2 B6 B10 -62.4(2) . . . . ?
C3 B2 B6 B11 -100.03(18) . . . . ?
C3 B2 B7 B8 35.03(17) . . . . ?
C3 B2 B7 B11 135.93(19) . . . . ?
C3 B2 B7 B12 98.5(2) . . . . ?
C3 B2 B11 B6 98.63(17) . . . . ?
C3 B2 B11 B7 -38.41(16) . . . . ?
C3 B2 B11 B10 62.1(2) . . . . ?
C3 B2 B11 B12 -1.1(2) . . . . ?
C3 B4 B5 C1 -35.14(18) . . . . ?
C3 B4 B5 B6 -0.1(3) . . . . ?
C3 B4 B5 B9 99.5(2) . . . . ?
C3 B4 B5 B10 62.3(2) . . . . ?
C3 B4 B8 B7 -34.90(18) . . . . ?
C3 B4 B8 B9 -135.94(18) . . . . ?
C3 B4 B8 B12 -99.05(19) . . . . ?
C3 B4 B9 B5 -99.40(19) . . . . ?
C3 B4 B9 B8 38.10(16) . . . . ?
C3 B4 B9 B10 -62.0(2) . . . . ?
C3 B4 B9 B12 1.4(2) . . . . ?
C3 B7 B8 B4 35.31(18) . . . . ?
C3 B7 B8 B9 98.8(2) . . . . ?
C3 B7 B8 B12 136.7(2) . . . . ?
C3 B7 B11 B2 38.82(16) . . . . ?
C3 B7 B11 B6 0.5(2) . . . . ?
C3 B7 B11 B10 -62.0(2) . . . . ?
C3 B7 B11 B12 -99.7(2) . . . . ?
C3 B7 B12 B8 -37.79(17) . . . . ?
C3 B7 B12 B9 -0.5(2) . . . . ?
C3 B7 B12 B10 62.5(2) . . . . ?
C3 B7 B12 B11 100.19(19) . . . . ?
C3 B8 B9 B4 -38.99(17) . . . . ?
C3 B8 B9 B5 -1.0(3) . . . . ?
C3 B8 B9 B10 62.3(3) . . . . ?
C3 B8 B9 B12 100.1(2) . . . . ?
C3 B8 B12 B7 37.92(18) . . . . ?
C3 B8 B12 B9 -100.0(2) . . . . ?
C3 B8 B12 B10 -62.2(2) . . . . ?
C3 B8 B12 B11 0.9(3) . . . . ?
B3 C1 C2 Ru1 -110.35(17) . . . . ?
B3 C1 C2 B6 137.78(19) . . . . ?
B3 C1 C2 B7 36.87(17) . . . . ?
B3 C1 C2 B11 99.60(18) . . . . ?
B3 C1 B4 B5 -139.2(2) . . . . ?
B3 C1 B4 B8 -36.78(18) . . . . ?
B3 C1 B4 B9 -99.3(2) . . . . ?
B3 C1 B5 B4 37.86(18) . . . . ?
B3 C1 B5 B6 -102.31(19) . . . . ?
B3 C1 B5 B9 -1.6(2) . . . . ?
B3 C1 B5 B10 -63.9(2) . . . . ?
B3 C1 B6 C2 -38.76(16) . . . . ?
B3 C1 B6 B5 103.5(2) . . . . ?
B3 C1 B6 B10 63.9(2) . . . . ?
B3 C1 B6 B11 -0.2(2) . . . . ?
B3 C2 B6 C1 36.42(16) . . . . ?
B3 C2 B6 B5 2.4(2) . . . . ?
B3 C2 B6 B10 -62.4(2) . . . . ?
B3 C2 B6 B11 -100.03(18) . . . . ?
B3 C2 B7 B8 35.03(17) . . . . ?
B3 C2 B7 B11 135.93(19) . . . . ?
B3 C2 B7 B12 98.5(2) . . . . ?
B3 C2 B11 B6 98.63(17) . . . . ?
B3 C2 B11 B7 -38.41(16) . . . . ?
B3 C2 B11 B10 62.1(2) . . . . ?
B3 C2 B11 B12 -1.1(2) . . . . ?
B3 B4 B5 C1 -35.14(18) . . . . ?
B3 B4 B5 B6 -0.1(3) . . . . ?
B3 B4 B5 B9 99.5(2) . . . . ?
B3 B4 B5 B10 62.3(2) . . . . ?
B3 B4 B8 B7 -34.90(18) . . . . ?
B3 B4 B8 B9 -135.94(18) . . . . ?
B3 B4 B8 B12 -99.05(19) . . . . ?
B3 B4 B9 B5 -99.40(19) . . . . ?
B3 B4 B9 B8 38.10(16) . . . . ?
B3 B4 B9 B10 -62.0(2) . . . . ?
B3 B4 B9 B12 1.4(2) . . . . ?
B3 B7 B8 B4 35.31(18) . . . . ?
B3 B7 B8 B9 98.8(2) . . . . ?
B3 B7 B8 B12 136.7(2) . . . . ?
B3 B7 B11 C2 38.82(16) . . . . ?
B3 B7 B11 B6 0.5(2) . . . . ?
B3 B7 B11 B10 -62.0(2) . . . . ?
B3 B7 B11 B12 -99.7(2) . . . . ?
B3 B7 B12 B8 -37.79(17) . . . . ?
B3 B7 B12 B9 -0.5(2) . . . . ?
B3 B7 B12 B10 62.5(2) . . . . ?
B3 B7 B12 B11 100.19(19) . . . . ?
B3 B8 B9 B4 -38.99(17) . . . . ?
B3 B8 B9 B5 -1.0(3) . . . . ?
B3 B8 B9 B10 62.3(3) . . . . ?
B3 B8 B9 B12 100.1(2) . . . . ?
B3 B8 B12 B7 37.92(18) . . . . ?
B3 B8 B12 B9 -100.0(2) . . . . ?
B3 B8 B12 B10 -62.2(2) . . . . ?
B3 B8 B12 B11 0.9(3) . . . . ?
B4 C1 B2 Ru1 -144.57(15) . . . . ?
B4 C1 B2 C3 -34.23(18) . . . . ?
B4 C1 B2 B6 103.6(2) . . . . ?
B4 C1 B2 B7 2.6(2) . . . . ?
B4 C1 B2 B11 65.4(2) . . . . ?
B4 C1 C2 Ru1 -144.57(15) . . . . ?
B4 C1 C2 B3 -34.23(18) . . . . ?
B4 C1 C2 B6 103.6(2) . . . . ?
B4 C1 C2 B7 2.6(2) . . . . ?
B4 C1 C2 B11 65.4(2) . . . . ?
B4 C1 C3 B2 143.7(2) . . . . ?
B4 C1 C3 B7 105.1(2) . . . . ?
B4 C1 C3 B8 39.07(18) . . . . ?
B4 C1 B3 C2 143.7(2) . . . . ?
B4 C1 B3 B7 105.1(2) . . . . ?
B4 C1 B3 B8 39.07(18) . . . . ?
B4 C1 B5 B6 -140.2(2) . . . . ?
B4 C1 B5 B9 -39.45(18) . . . . ?
B4 C1 B5 B10 -101.7(2) . . . . ?
B4 C1 B6 B2 -104.87(19) . . . . ?
B4 C1 B6 C2 -104.87(19) . . . . ?
B4 C1 B6 B5 37.43(19) . . . . ?
B4 C1 B6 B10 -2.2(2) . . . . ?
B4 C1 B6 B11 -66.3(2) . . . . ?
B4 C3 B7 B2 103.76(19) . . . . ?
B4 C3 B7 B8 -36.73(18) . . . . ?
B4 C3 B7 B11 64.8(2) . . . . ?
B4 C3 B7 B12 1.5(2) . . . . ?
B4 C3 B8 B7 140.79(19) . . . . ?
B4 C3 B8 B9 38.89(18) . . . . ?
B4 C3 B8 B12 102.2(2) . . . . ?
B4 B3 B7 C2 103.76(19) . . . . ?
B4 B3 B7 B8 -36.73(18) . . . . ?
B4 B3 B7 B11 64.8(2) . . . . ?
B4 B3 B7 B12 1.5(2) . . . . ?
B4 B3 B8 B7 140.79(19) . . . . ?
B4 B3 B8 B9 38.89(18) . . . . ?
B4 B3 B8 B12 102.2(2) . . . . ?
B4 B5 B6 C1 -35.39(19) . . . . ?
B4 B5 B6 B2 -1.4(3) . . . . ?
B4 B5 B6 C2 -1.4(3) . . . . ?
B4 B5 B6 B10 100.3(2) . . . . ?
B4 B5 B6 B11 62.8(3) . . . . ?
B4 B5 B9 B8 -37.92(18) . . . . ?
B4 B5 B9 B10 -138.2(2) . . . . ?
B4 B5 B9 B12 -101.3(2) . . . . ?
B4 B5 B10 B6 -100.4(2) . . . . ?
B4 B5 B10 B9 37.03(18) . . . . ?
B4 B5 B10 B11 -63.9(2) . . . . ?
B4 B5 B10 B12 -0.1(2) . . . . ?
B4 B8 B9 B5 37.98(18) . . . . ?
B4 B8 B9 B10 101.3(2) . . . . ?
B4 B8 B9 B12 139.14(19) . . . . ?
B4 B8 B12 B7 101.3(2) . . . . ?
B4 B8 B12 B9 -36.67(18) . . . . ?
B4 B8 B12 B10 1.2(2) . . . . ?
B4 B8 B12 B11 64.3(2) . . . . ?
B4 B9 B10 B5 -37.49(19) . . . . ?
B4 B9 B10 B6 0.4(3) . . . . ?
B4 B9 B10 B11 63.4(3) . . . . ?
B4 B9 B10 B12 101.3(2) . . . . ?
B4 B9 B12 B7 -0.6(2) . . . . ?
B4 B9 B12 B8 36.69(18) . . . . ?
B4 B9 B12 B10 -100.7(2) . . . . ?
B4 B9 B12 B11 -63.1(2) . . . . ?
B5 C1 B2 Ru1 147.74(15) . . . . ?
B5 C1 B2 C3 -101.91(19) . . . . ?
B5 C1 B2 B6 35.87(17) . . . . ?
B5 C1 B2 B7 -65.0(2) . . . . ?
B5 C1 B2 B11 -2.3(2) . . . . ?
B5 C1 C2 Ru1 147.74(15) . . . . ?
B5 C1 C2 B3 -101.91(19) . . . . ?
B5 C1 C2 B6 35.87(17) . . . . ?
B5 C1 C2 B7 -65.0(2) . . . . ?
B5 C1 C2 B11 -2.3(2) . . . . ?
B5 C1 C3 B2 105.64(19) . . . . ?
B5 C1 C3 B4 -38.06(19) . . . . ?
B5 C1 C3 B7 67.0(2) . . . . ?
B5 C1 C3 B8 1.0(2) . . . . ?
B5 C1 B3 C2 105.64(19) . . . . ?
B5 C1 B3 B4 -38.06(19) . . . . ?
B5 C1 B3 B7 67.0(2) . . . . ?
B5 C1 B3 B8 1.0(2) . . . . ?
B5 C1 B4 C3 139.2(2) . . . . ?
B5 C1 B4 B3 139.2(2) . . . . ?
B5 C1 B4 B8 102.4(2) . . . . ?
B5 C1 B4 B9 39.89(19) . . . . ?
B5 C1 B6 B2 -142.30(19) . . . . ?
B5 C1 B6 C2 -142.30(19) . . . . ?
B5 C1 B6 B10 -39.64(19) . . . . ?
B5 C1 B6 B11 -103.7(2) . . . . ?
B5 B4 B8 C3 97.81(19) . . . . ?
B5 B4 B8 B3 97.81(19) . . . . ?
B5 B4 B8 B7 62.9(2) . . . . ?
B5 B4 B8 B9 -38.13(18) . . . . ?
B5 B4 B8 B12 -1.2(2) . . . . ?
B5 B4 B9 B8 137.50(19) . . . . ?
B5 B4 B9 B10 37.42(19) . . . . ?
B5 B4 B9 B12 100.9(2) . . . . ?
B5 B6 B10 B9 -38.01(19) . . . . ?
B5 B6 B10 B11 -139.17(19) . . . . ?
B5 B6 B10 B12 -101.6(2) . . . . ?
B5 B6 B11 B2 -101.40(19) . . . . ?
B5 B6 B11 C2 -101.40(19) . . . . ?
B5 B6 B11 B7 -63.3(2) . . . . ?
B5 B6 B11 B10 37.41(18) . . . . ?
B5 B6 B11 B12 0.2(2) . . . . ?
B5 B9 B10 B6 37.90(19) . . . . ?
B5 B9 B10 B11 100.9(2) . . . . ?
B5 B9 B10 B12 138.8(2) . . . . ?
B5 B9 B12 B7 63.1(2) . . . . ?
B5 B9 B12 B8 100.4(2) . . . . ?
B5 B9 B12 B10 -36.94(19) . . . . ?
B5 B9 B12 B11 0.7(3) . . . . ?
B5 B10 B11 B2 0.4(2) . . . . ?
B5 B10 B11 C2 0.4(2) . . . . ?
B5 B10 B11 B6 -36.53(18) . . . . ?
B5 B10 B11 B7 63.5(2) . . . . ?
B5 B10 B11 B12 101.5(2) . . . . ?
B5 B10 B12 B7 -63.4(2) . . . . ?
B5 B10 B12 B8 -0.7(2) . . . . ?
B5 B10 B12 B9 37.10(18) . . . . ?
B5 B10 B12 B11 -100.7(2) . . . . ?
B6 C1 B2 Ru1 111.87(16) . . . . ?
B6 C1 B2 C3 -137.78(19) . . . . ?
B6 C1 B2 B7 -100.91(19) . . . . ?
B6 C1 B2 B11 -38.19(16) . . . . ?
B6 C1 C2 Ru1 111.87(16) . . . . ?
B6 C1 C2 B3 -137.78(19) . . . . ?
B6 C1 C2 B7 -100.91(19) . . . . ?
B6 C1 C2 B11 -38.19(16) . . . . ?
B6 C1 C3 B2 39.16(17) . . . . ?
B6 C1 C3 B4 -104.5(2) . . . . ?
B6 C1 C3 B7 0.5(2) . . . . ?
B6 C1 C3 B8 -65.5(2) . . . . ?
B6 C1 B3 C2 39.16(17) . . . . ?
B6 C1 B3 B4 -104.5(2) . . . . ?
B6 C1 B3 B7 0.5(2) . . . . ?
B6 C1 B3 B8 -65.5(2) . . . . ?
B6 C1 B4 C3 101.7(2) . . . . ?
B6 C1 B4 B3 101.7(2) . . . . ?
B6 C1 B4 B5 -37.46(19) . . . . ?
B6 C1 B4 B8 64.9(2) . . . . ?
B6 C1 B4 B9 2.4(2) . . . . ?
B6 C1 B5 B4 140.2(2) . . . . ?
B6 C1 B5 B9 100.7(2) . . . . ?
B6 C1 B5 B10 38.45(17) . . . . ?
B6 B2 C3 C1 -36.47(17) . . . . ?
B6 B2 C3 B4 -2.6(3) . . . . ?
B6 B2 C3 B7 101.22(19) . . . . ?
B6 B2 C3 B8 64.1(2) . . . . ?
B6 B2 B7 C3 -97.88(18) . . . . ?
B6 B2 B7 B8 -62.9(2) . . . . ?
B6 B2 B7 B11 38.05(16) . . . . ?
B6 B2 B7 B12 0.6(2) . . . . ?
B6 B2 B11 B7 -137.05(18) . . . . ?
B6 B2 B11 B10 -36.53(16) . . . . ?
B6 B2 B11 B12 -99.7(2) . . . . ?
B6 C2 B3 C1 -36.47(17) . . . . ?
B6 C2 B3 B4 -2.6(3) . . . . ?
B6 C2 B3 B7 101.22(19) . . . . ?
B6 C2 B3 B8 64.1(2) . . . . ?
B6 C2 B7 B3 -97.88(18) . . . . ?
B6 C2 B7 B8 -62.9(2) . . . . ?
B6 C2 B7 B11 38.05(16) . . . . ?
B6 C2 B7 B12 0.6(2) . . . . ?
B6 C2 B11 B7 -137.05(18) . . . . ?
B6 C2 B11 B10 -36.53(16) . . . . ?
B6 C2 B11 B12 -99.7(2) . . . . ?
B6 B5 B9 B4 100.7(2) . . . . ?
B6 B5 B9 B8 62.8(2) . . . . ?
B6 B5 B9 B10 -37.45(18) . . . . ?
B6 B5 B9 B12 -0.6(3) . . . . ?
B6 B5 B10 B9 137.4(2) . . . . ?
B6 B5 B10 B11 36.43(17) . . . . ?
B6 B5 B10 B12 100.3(2) . . . . ?
B6 B10 B11 B2 36.91(16) . . . . ?
B6 B10 B11 C2 36.91(16) . . . . ?
B6 B10 B11 B7 100.1(2) . . . . ?
B6 B10 B11 B12 138.0(2) . . . . ?
B6 B10 B12 B7 0.0(3) . . . . ?
B6 B10 B12 B8 62.7(2) . . . . ?
B6 B10 B12 B9 100.5(2) . . . . ?
B6 B10 B12 B11 -37.35(18) . . . . ?
B6 B11 B12 B7 -100.6(2) . . . . ?
B6 B11 B12 B8 -63.4(2) . . . . ?
B6 B11 B12 B9 -0.5(2) . . . . ?
B6 B11 B12 B10 37.03(18) . . . . ?
B7 B2 C3 C1 -137.69(19) . . . . ?
B7 B2 C3 B4 -103.8(2) . . . . ?
B7 B2 C3 B8 -37.17(18) . . . . ?
B7 B2 B6 C1 98.22(17) . . . . ?
B7 B2 B6 B5 64.2(2) . . . . ?
B7 B2 B6 B10 -0.6(2) . . . . ?
B7 B2 B6 B11 -38.23(16) . . . . ?
B7 B2 B11 B6 137.05(18) . . . . ?
B7 B2 B11 B10 100.52(19) . . . . ?
B7 B2 B11 B12 37.33(18) . . . . ?
B7 C2 B3 C1 -137.69(19) . . . . ?
B7 C2 B3 B4 -103.8(2) . . . . ?
B7 C2 B3 B8 -37.17(18) . . . . ?
B7 C2 B6 C1 98.22(17) . . . . ?
B7 C2 B6 B5 64.2(2) . . . . ?
B7 C2 B6 B10 -0.6(2) . . . . ?
B7 C2 B6 B11 -38.23(16) . . . . ?
B7 C2 B11 B6 137.05(18) . . . . ?
B7 C2 B11 B10 100.52(19) . . . . ?
B7 C2 B11 B12 37.33(18) . . . . ?
B7 C3 B4 C1 -100.3(2) . . . . ?
B7 C3 B4 B5 -64.8(2) . . . . ?
B7 C3 B4 B8 36.98(17) . . . . ?
B7 C3 B4 B9 -1.8(2) . . . . ?
B7 C3 B8 B4 -140.79(19) . . . . ?
B7 C3 B8 B9 -101.9(2) . . . . ?
B7 C3 B8 B12 -38.54(18) . . . . ?
B7 B3 B4 C1 -100.3(2) . . . . ?
B7 B3 B4 B5 -64.8(2) . . . . ?
B7 B3 B4 B8 36.98(17) . . . . ?
B7 B3 B4 B9 -1.8(2) . . . . ?
B7 B3 B8 B4 -140.79(19) . . . . ?
B7 B3 B8 B9 -101.9(2) . . . . ?
B7 B3 B8 B12 -38.54(18) . . . . ?
B7 B8 B9 B4 -101.2(2) . . . . ?
B7 B8 B9 B5 -63.3(3) . . . . ?
B7 B8 B9 B10 0.0(3) . . . . ?
B7 B8 B9 B12 37.90(19) . . . . ?
B7 B8 B12 B9 -137.9(2) . . . . ?
B7 B8 B12 B10 -100.1(2) . . . . ?
B7 B8 B12 B11 -36.99(18) . . . . ?
B7 B11 B12 B8 37.19(19) . . . . ?
B7 B11 B12 B9 100.1(2) . . . . ?
B7 B11 B12 B10 137.6(2) . . . . ?
B8 C3 B4 C1 -137.30(19) . . . . ?
B8 C3 B4 B5 -101.8(2) . . . . ?
B8 C3 B4 B9 -38.80(18) . . . . ?
B8 C3 B7 B2 140.49(19) . . . . ?
B8 C3 B7 B11 101.5(2) . . . . ?
B8 C3 B7 B12 38.19(17) . . . . ?
B8 B3 B4 C1 -137.30(19) . . . . ?
B8 B3 B4 B5 -101.8(2) . . . . ?
B8 B3 B4 B9 -38.80(18) . . . . ?
B8 B3 B7 C2 140.49(19) . . . . ?
B8 B3 B7 B11 101.5(2) . . . . ?
B8 B3 B7 B12 38.19(17) . . . . ?
B8 B4 B5 C1 -96.63(19) . . . . ?
B8 B4 B5 B6 -61.6(2) . . . . ?
B8 B4 B5 B9 38.02(18) . . . . ?
B8 B4 B5 B10 0.8(2) . . . . ?
B8 B4 B9 B5 -137.50(19) . . . . ?
B8 B4 B9 B10 -100.1(2) . . . . ?
B8 B4 B9 B12 -36.65(17) . . . . ?
B8 B7 B11 B2 101.0(2) . . . . ?
B8 B7 B11 C2 101.0(2) . . . . ?
B8 B7 B11 B6 62.7(2) . . . . ?
B8 B7 B11 B10 0.1(3) . . . . ?
B8 B7 B11 B12 -37.54(19) . . . . ?
B8 B7 B12 B9 37.30(18) . . . . ?
B8 B7 B12 B10 100.3(2) . . . . ?
B8 B7 B12 B11 138.0(2) . . . . ?
B8 B9 B10 B5 -100.9(2) . . . . ?
B8 B9 B10 B6 -63.0(3) . . . . ?
B8 B9 B10 B11 0.1(3) . . . . ?
B8 B9 B10 B12 37.9(2) . . . . ?
B8 B9 B12 B7 -37.30(17) . . . . ?
B8 B9 B12 B10 -137.4(2) . . . . ?
B8 B9 B12 B11 -99.8(2) . . . . ?
B9 B4 B5 C1 -134.7(2) . . . . ?
B9 B4 B5 B6 -99.7(2) . . . . ?
B9 B4 B5 B10 -37.20(18) . . . . ?
B9 B4 B8 C3 135.94(18) . . . . ?
B9 B4 B8 B3 135.94(18) . . . . ?
B9 B4 B8 B7 101.0(2) . . . . ?
B9 B4 B8 B12 36.89(17) . . . . ?
B9 B5 B6 C1 -98.0(2) . . . . ?
B9 B5 B6 B2 -64.0(2) . . . . ?
B9 B5 B6 C2 -64.0(2) . . . . ?
B9 B5 B6 B10 37.72(19) . . . . ?
B9 B5 B6 B11 0.2(3) . . . . ?
B9 B5 B10 B6 -137.4(2) . . . . ?
B9 B5 B10 B11 -101.0(2) . . . . ?
B9 B5 B10 B12 -37.13(18) . . . . ?
B9 B8 B12 B7 137.9(2) . . . . ?
B9 B8 B12 B10 37.84(18) . . . . ?
B9 B8 B12 B11 101.0(2) . . . . ?
B9 B10 B11 B2 -63.3(2) . . . . ?
B9 B10 B11 C2 -63.3(2) . . . . ?
B9 B10 B11 B6 -100.2(2) . . . . ?
B9 B10 B11 B7 -0.1(3) . . . . ?
B9 B10 B11 B12 37.8(2) . . . . ?
B9 B10 B12 B7 -100.5(2) . . . . ?
B9 B10 B12 B8 -37.75(18) . . . . ?
B9 B10 B12 B11 -137.8(2) . . . . ?
B10 B5 B6 C1 -135.7(2) . . . . ?
B10 B5 B6 B2 -101.7(2) . . . . ?
B10 B5 B6 C2 -101.7(2) . . . . ?
B10 B5 B6 B11 -37.49(19) . . . . ?
B10 B5 B9 B4 138.2(2) . . . . ?
B10 B5 B9 B8 100.3(2) . . . . ?
B10 B5 B9 B12 36.90(19) . . . . ?
B10 B6 B11 B2 -138.82(18) . . . . ?
B10 B6 B11 C2 -138.82(18) . . . . ?
B10 B6 B11 B7 -100.72(19) . . . . ?
B10 B6 B11 B12 -37.21(18) . . . . ?
B10 B9 B12 B7 100.1(2) . . . . ?
B10 B9 B12 B8 137.4(2) . . . . ?
B10 B9 B12 B11 37.63(19) . . . . ?
B10 B11 B12 B7 -137.6(2) . . . . ?
B10 B11 B12 B8 -100.4(2) . . . . ?
B10 B11 B12 B9 -37.57(19) . . . . ?
B11 B2 C3 C1 -98.79(18) . . . . ?
B11 B2 C3 B4 -64.9(2) . . . . ?
B11 B2 C3 B7 38.90(17) . . . . ?
B11 B2 C3 B8 1.7(2) . . . . ?
B11 B2 B6 C1 136.45(17) . . . . ?
B11 B2 B6 B5 102.5(2) . . . . ?
B11 B2 B6 B10 37.59(17) . . . . ?
B11 B2 B7 C3 -135.93(19) . . . . ?
B11 B2 B7 B8 -100.9(2) . . . . ?
B11 B2 B7 B12 -37.45(17) . . . . ?
B11 C2 B3 C1 -98.79(18) . . . . ?
B11 C2 B3 B4 -64.9(2) . . . . ?
B11 C2 B3 B7 38.90(17) . . . . ?
B11 C2 B3 B8 1.7(2) . . . . ?
B11 C2 B6 C1 136.45(17) . . . . ?
B11 C2 B6 B5 102.5(2) . . . . ?
B11 C2 B6 B10 37.59(17) . . . . ?
B11 C2 B7 B3 -135.93(19) . . . . ?
B11 C2 B7 B8 -100.9(2) . . . . ?
B11 C2 B7 B12 -37.45(17) . . . . ?
B11 B6 B10 B5 139.17(19) . . . . ?
B11 B6 B10 B9 101.2(2) . . . . ?
B11 B6 B10 B12 37.61(18) . . . . ?
B11 B7 B8 C3 -98.9(2) . . . . ?
B11 B7 B8 B3 -98.9(2) . . . . ?
B11 B7 B8 B4 -63.6(2) . . . . ?
B11 B7 B8 B9 -0.1(3) . . . . ?
B11 B7 B8 B12 37.78(19) . . . . ?
B11 B7 B12 B8 -138.0(2) . . . . ?
B11 B7 B12 B9 -100.7(2) . . . . ?
B11 B7 B12 B10 -37.65(18) . . . . ?
B11 B10 B12 B7 37.30(18) . . . . ?
B11 B10 B12 B8 100.1(2) . . . . ?
B11 B10 B12 B9 137.8(2) . . . . ?
B12 B7 B8 C3 -136.7(2) . . . . ?
B12 B7 B8 B3 -136.7(2) . . . . ?
B12 B7 B8 B4 -101.4(2) . . . . ?
B12 B7 B8 B9 -37.9(2) . . . . ?
B12 B7 B11 B2 138.49(19) . . . . ?
B12 B7 B11 C2 138.49(19) . . . . ?
B12 B7 B11 B6 100.2(2) . . . . ?
B12 B7 B11 B10 37.7(2) . . . . ?
B12 B8 B9 B4 -139.14(19) . . . . ?
B12 B8 B9 B5 -101.2(2) . . . . ?
B12 B8 B9 B10 -37.9(2) . . . . ?
B12 B9 B10 B5 -138.8(2) . . . . ?
B12 B9 B10 B6 -100.9(2) . . . . ?
B12 B9 B10 B11 -37.83(19) . . . . ?
B12 B10 B11 B2 -101.09(19) . . . . ?
B12 B10 B11 C2 -101.09(19) . . . . ?
B12 B10 B11 B6 -138.0(2) . . . . ?
B12 B10 B11 B7 -37.95(19) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5235
_database_code_depnum_ccdc_archive 'CCDC 1418094'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H44 B20 N3 P Ru'
_chemical_formula_sum            'C28 H44 B20 N3 P Ru'
_chemical_formula_weight         770.90
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4838(14)
_cell_length_b                   10.6487(16)
_cell_length_c                   18.114(3)
_cell_angle_alpha                87.152(8)
_cell_angle_beta                 75.088(7)
_cell_angle_gamma                82.148(7)
_cell_volume                     1935.6(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9993
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.953
_cell_measurement_theta_min      2.239
_shelx_estimated_absorpt_T_max   0.911
_shelx_estimated_absorpt_T_min   0.815
_exptl_absorpt_coefficient_mu    0.474
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.7123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1000 before and 0.0601 after correction.
The Ratio of minimum to maximum transmission is 0.9538.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0586
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40047
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         34.178
_diffrn_reflns_theta_min         2.066
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13111
_reflns_number_total             15552
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         15552
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0282P)²+0.4807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0781
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C122(H122), C123(H123),
 C124(H124), C125(H125), C126(H126)
2.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C22(H22A,H22B,H22C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.32866(13) 0.65207(13) 0.38826(8) 0.0098(2) Uani 1 1 d . . . . .
N2 N 0.04556(11) 0.66109(12) 0.28296(7) 0.0111(2) Uani 1 1 d . . . . .
P1 P 0.07385(3) 0.91079(3) 0.18258(2) 0.00986(7) Uani 1 1 d . . . . .
Ru1 Ru 0.12481(2) 0.81894(2) 0.29554(2) 0.00828(3) Uani 1 1 d . . . . .
C2 C 0.17931(13) 0.74866(13) 0.39887(8) 0.0100(2) Uani 1 1 d . . . . .
N3 N -0.07269(12) 0.88089(12) 0.36731(7) 0.0144(2) Uani 1 1 d . . . . .
B3 B 0.18187(15) 0.58699(16) 0.42412(9) 0.0109(3) Uani 1 1 d . . . . .
H3 H 0.1508(16) 0.5255(16) 0.3899(10) 0.013 Uiso 1 1 d R . . . .
N1 N 0.18757(12) 0.98387(12) 0.31209(7) 0.0121(2) Uani 1 1 d . . . . .
B4 B 0.32381(16) 0.53909(16) 0.46175(9) 0.0121(3) Uani 1 1 d . . . . .
H4 H 0.3765(17) 0.4437(17) 0.4469(10) 0.015 Uiso 1 1 d R . . . .
B5 B 0.40857(16) 0.67455(16) 0.45773(9) 0.0124(3) Uani 1 1 d . . . . .
H5 H 0.5113(17) 0.6676(17) 0.4428(10) 0.015 Uiso 1 1 d R . . . .
B6 B 0.31738(16) 0.80483(16) 0.41833(9) 0.0118(3) Uani 1 1 d . . . . .
H6 H 0.3717(17) 0.8735(17) 0.3812(10) 0.014 Uiso 1 1 d R . . . .
B7 B 0.07401(16) 0.70331(16) 0.48427(9) 0.0128(3) Uani 1 1 d . . . . .
H7 H -0.0327(17) 0.7098(17) 0.4875(10) 0.015 Uiso 1 1 d R . . . .
B8 B 0.16207(16) 0.57274(17) 0.52433(9) 0.0137(3) Uani 1 1 d . . . . .
H8 H 0.1120(17) 0.4969(17) 0.5565(10) 0.016 Uiso 1 1 d R . . . .
B9 B 0.30213(17) 0.62825(17) 0.54583(9) 0.0140(3) Uani 1 1 d . . . . .
H9 H 0.3366(17) 0.5918(17) 0.5911(10) 0.017 Uiso 1 1 d R . . . .
B10 B 0.29972(17) 0.79257(16) 0.51836(9) 0.0137(3) Uani 1 1 d . . . . .
H10 H 0.3386(17) 0.8612(17) 0.5468(10) 0.016 Uiso 1 1 d R . . . .
B11 B 0.15727(16) 0.83821(16) 0.48030(9) 0.0134(3) Uani 1 1 d . . . . .
H11 H 0.1072(17) 0.9353(17) 0.4807(10) 0.016 Uiso 1 1 d R . . . .
C11 C 0.21233(15) 1.08220(15) 0.32350(9) 0.0154(3) Uani 1 1 d . . . . .
B12 B 0.14712(17) 0.73011(17) 0.55985(9) 0.0148(3) Uani 1 1 d . . . . .
H12 H 0.0873(17) 0.7592(17) 0.6155(10) 0.018 Uiso 1 1 d R . . . .
C12 C 0.24553(19) 1.20766(16) 0.33523(11) 0.0278(4) Uani 1 1 d . . . . .
H12A H 0.2621 1.2549 0.2866 0.042 Uiso 1 1 calc GR . . . .
H12B H 0.3255 1.1981 0.3546 0.042 Uiso 1 1 calc GR . . . .
H12C H 0.1712 1.2539 0.3724 0.042 Uiso 1 1 calc GR . . . .
C21 C 0.00031(14) 0.57274(14) 0.27306(8) 0.0134(3) Uani 1 1 d . . . . .
C22 C -0.05387(17) 0.46104(16) 0.25554(10) 0.0211(3) Uani 1 1 d . . . . .
H22A H 0.0168 0.4055 0.2215 0.032 Uiso 1 1 calc GR . . . .
H22B H -0.1256 0.4881 0.2304 0.032 Uiso 1 1 calc GR . . . .
H22C H -0.0890 0.4149 0.3030 0.032 Uiso 1 1 calc GR . . . .
C31 C -0.17693(15) 0.87736(15) 0.40661(10) 0.0194(3) Uani 1 1 d . . . . .
C32 C -0.30887(18) 0.8646(2) 0.45807(13) 0.0364(5) Uani 1 1 d . . . . .
H32A H -0.3777 0.8888 0.4304 0.055 Uiso 1 1 calc GR . . . .
H32B H -0.3248 0.9200 0.5020 0.055 Uiso 1 1 calc GR . . . .
H32C H -0.3117 0.7764 0.4760 0.055 Uiso 1 1 calc GR . . . .
C101 C 0.10199(13) 0.80208(13) 0.10246(8) 0.0109(2) Uani 1 1 d . . . . .
C102 C 0.02499(14) 0.70145(14) 0.11066(8) 0.0116(3) Uani 1 1 d . . . . .
H102 H -0.0490 0.6983 0.1536 0.014 Uiso 1 1 calc R . . . .
C103 C 0.05622(14) 0.60619(14) 0.05625(8) 0.0138(3) Uani 1 1 d . . . . .
H103 H 0.0044 0.5380 0.0627 0.017 Uiso 1 1 calc R . . . .
C104 C 0.16359(15) 0.61106(15) -0.00766(9) 0.0165(3) Uani 1 1 d . . . . .
H104 H 0.1860 0.5454 -0.0442 0.020 Uiso 1 1 calc R . . . .
C105 C 0.23785(15) 0.71269(16) -0.01771(9) 0.0174(3) Uani 1 1 d . . . . .
H105 H 0.3093 0.7174 -0.0619 0.021 Uiso 1 1 calc R . . . .
C106 C 0.20743(14) 0.80783(15) 0.03717(8) 0.0142(3) Uani 1 1 d . . . . .
H106 H 0.2586 0.8766 0.0301 0.017 Uiso 1 1 calc R . . . .
C111 C 0.16260(14) 1.04372(14) 0.13611(8) 0.0124(3) Uani 1 1 d . . . . .
C112 C 0.10513(16) 1.13530(15) 0.09116(9) 0.0189(3) Uani 1 1 d . . . . .
H112 H 0.0168 1.1323 0.0874 0.023 Uiso 1 1 calc R . . . .
C113 C 0.17668(18) 1.23019(17) 0.05212(10) 0.0248(4) Uani 1 1 d . . . . .
H113 H 0.1365 1.2914 0.0223 0.030 Uiso 1 1 calc R . . . .
C114 C 0.30679(17) 1.23603(17) 0.05648(10) 0.0231(3) Uani 1 1 d . . . . .
H114 H 0.3551 1.3009 0.0299 0.028 Uiso 1 1 calc R . . . .
C115 C 0.36497(15) 1.14545(15) 0.10028(9) 0.0179(3) Uani 1 1 d . . . . .
H115 H 0.4538 1.1481 0.1031 0.021 Uiso 1 1 calc R . . . .
C116 C 0.29343(14) 1.05058(14) 0.14013(8) 0.0130(3) Uani 1 1 d . . . . .
H116 H 0.3339 0.9901 0.1703 0.016 Uiso 1 1 calc R . . . .
C121 C -0.10030(14) 0.98444(14) 0.19441(8) 0.0123(3) Uani 1 1 d . . . . .
C122 C -0.18351(14) 0.95581(15) 0.15001(9) 0.0155(3) Uani 1 1 d . . . . .
H122 H -0.1513 0.8947 0.1109 0.019 Uiso 1 1 calc R . . . .
C123 C -0.31436(15) 1.01721(16) 0.16317(10) 0.0209(3) Uani 1 1 d . . . . .
H123 H -0.3713 0.9958 0.1339 0.025 Uiso 1 1 calc R . . . .
C124 C -0.36112(16) 1.10926(17) 0.21891(10) 0.0223(3) Uani 1 1 d . . . . .
H124 H -0.4496 1.1510 0.2273 0.027 Uiso 1 1 calc R . . . .
C125 C -0.27825(17) 1.14052(16) 0.26253(9) 0.0227(4) Uani 1 1 d . . . . .
H125 H -0.3096 1.2046 0.2999 0.027 Uiso 1 1 calc R . . . .
C126 C -0.14920(16) 1.07728(15) 0.25096(9) 0.0187(3) Uani 1 1 d . . . . .
H126 H -0.0937 1.0971 0.2816 0.022 Uiso 1 1 calc R . . . .
C1' C 0.40238(13) 0.62991(13) 0.30410(8) 0.0099(2) Uani 1 1 d . . . . .
C2' C 0.33449(13) 0.54776(14) 0.25554(8) 0.0108(2) Uani 1 1 d . . . . .
H2' H 0.2547(17) 0.5112(17) 0.2857(10) 0.013 Uiso 1 1 d R . . . .
B3' B 0.30961(15) 0.72232(16) 0.23814(9) 0.0115(3) Uani 1 1 d . . . . .
B4' B 0.47674(16) 0.74567(16) 0.24529(9) 0.0122(3) Uani 1 1 d . . . . .
H4' H 0.4870(17) 0.8325(17) 0.2682(10) 0.015 Uiso 1 1 d R . . . .
B5' B 0.57353(15) 0.60500(16) 0.27063(9) 0.0125(3) Uani 1 1 d . . . . .
H5' H 0.6331(17) 0.6160(17) 0.3097(10) 0.015 Uiso 1 1 d R . . . .
B6' B 0.47835(15) 0.47603(16) 0.27849(9) 0.0119(3) Uani 1 1 d . . . . .
H6' H 0.4695(17) 0.4048(17) 0.3233(10) 0.014 Uiso 1 1 d R . . . .
B7' B 0.35069(16) 0.59822(16) 0.16438(9) 0.0118(3) Uani 1 1 d . . . . .
H7' H 0.2702(17) 0.5843(17) 0.1380(10) 0.014 Uiso 1 1 d R . . . .
B8' B 0.44918(16) 0.72428(16) 0.15429(9) 0.0121(3) Uani 1 1 d . . . . .
H8' H 0.4452(17) 0.8009(17) 0.1146(10) 0.014 Uiso 1 1 d R . . . .
B9' B 0.60495(16) 0.66066(16) 0.17363(10) 0.0134(3) Uani 1 1 d . . . . .
H9' H 0.6967(17) 0.7000(17) 0.1504(10) 0.016 Uiso 1 1 d R . . . .
B10' B 0.60448(16) 0.49449(16) 0.19466(9) 0.0131(3) Uani 1 1 d . . . . .
H10' H 0.6948(17) 0.4218(17) 0.1828(10) 0.016 Uiso 1 1 d R . . . .
B11' B 0.44728(16) 0.45614(16) 0.18806(9) 0.0119(3) Uani 1 1 d . . . . .
H11' H 0.4244(17) 0.3694(17) 0.1782(10) 0.014 Uiso 1 1 d R . . . .
B12' B 0.52656(16) 0.56835(16) 0.12247(9) 0.0130(3) Uani 1 1 d . . . . .
H12' H 0.5648(17) 0.5445(17) 0.0645(10) 0.016 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.7237(18) . ?
C1 B3 1.733(2) . ?
C1 B4 1.745(2) . ?
C1 B5 1.723(2) . ?
C1 B6 1.720(2) . ?
C1 C1' 1.5351(19) . ?
N2 Ru1 2.0211(13) . ?
N2 C21 1.1510(19) . ?
P1 Ru1 2.3769(5) . ?
P1 C101 1.8403(14) . ?
P1 C111 1.8484(16) . ?
P1 C121 1.8489(14) . ?
Ru1 C2 2.1645(13) . ?
Ru1 N3 2.1769(13) . ?
Ru1 N1 2.0191(13) . ?
Ru1 B3' 2.1019(16) . ?
C2 B3 1.758(2) . ?
C2 B6 1.760(2) . ?
C2 B7 1.743(2) . ?
C2 B11 1.744(2) . ?
N3 C31 1.145(2) . ?
B3 H3 1.059(18) . ?
B3 B4 1.794(2) . ?
B3 B7 1.766(2) . ?
B3 B8 1.774(2) . ?
N1 C11 1.1532(19) . ?
B4 H4 1.098(17) . ?
B4 B5 1.784(2) . ?
B4 B8 1.781(2) . ?
B4 B9 1.783(2) . ?
B5 H5 1.033(17) . ?
B5 B6 1.800(2) . ?
B5 B9 1.786(2) . ?
B5 B10 1.786(2) . ?
B6 H6 1.086(18) . ?
B6 B10 1.773(2) . ?
B6 B11 1.764(2) . ?
B7 H7 1.097(17) . ?
B7 B8 1.790(2) . ?
B7 B11 1.769(3) . ?
B7 B12 1.784(2) . ?
B8 H8 1.086(18) . ?
B8 B9 1.792(2) . ?
B8 B12 1.797(3) . ?
B9 H9 1.017(18) . ?
B9 B10 1.794(3) . ?
B9 B12 1.793(2) . ?
B10 H10 1.092(19) . ?
B10 B11 1.800(2) . ?
B10 B12 1.786(3) . ?
B11 H11 1.093(17) . ?
B11 B12 1.790(2) . ?
C11 C12 1.464(2) . ?
B12 H12 1.076(18) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C21 C22 1.467(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C31 C32 1.475(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C101 C102 1.407(2) . ?
C101 C106 1.401(2) . ?
C102 H102 0.9500 . ?
C102 C103 1.396(2) . ?
C103 H103 0.9500 . ?
C103 C104 1.396(2) . ?
C104 H104 0.9500 . ?
C104 C105 1.396(2) . ?
C105 H105 0.9500 . ?
C105 C106 1.402(2) . ?
C106 H106 0.9500 . ?
C111 C112 1.4107(19) . ?
C111 C116 1.404(2) . ?
C112 H112 0.9500 . ?
C112 C113 1.395(2) . ?
C113 H113 0.9500 . ?
C113 C114 1.396(2) . ?
C114 H114 0.9500 . ?
C114 C115 1.394(2) . ?
C115 H115 0.9500 . ?
C115 C116 1.400(2) . ?
C116 H116 0.9500 . ?
C121 C122 1.400(2) . ?
C121 C126 1.408(2) . ?
C122 H122 0.9500 . ?
C122 C123 1.403(2) . ?
C123 H123 0.9500 . ?
C123 C124 1.390(2) . ?
C124 H124 0.9500 . ?
C124 C125 1.396(2) . ?
C125 H125 0.9500 . ?
C125 C126 1.395(2) . ?
C126 H126 0.9500 . ?
C1' C2' 1.6168(19) . ?
C1' B3' 1.8872(19) . ?
C1' B4' 1.722(2) . ?
C1' B5' 1.727(2) . ?
C1' B6' 1.750(2) . ?
C2' H2' 0.991(18) . ?
C2' B3' 1.864(2) . ?
C2' B6' 1.7341(19) . ?
C2' B7' 1.684(2) . ?
C2' B11' 1.704(2) . ?
B3' B4' 1.841(2) . ?
B3' B7' 1.855(2) . ?
B3' B8' 1.819(2) . ?
B4' H4' 1.062(18) . ?
B4' B5' 1.800(2) . ?
B4' B8' 1.776(2) . ?
B4' B9' 1.788(2) . ?
B5' H5' 1.076(18) . ?
B5' B6' 1.784(2) . ?
B5' B9' 1.789(2) . ?
B5' B10' 1.792(2) . ?
B6' H6' 1.078(18) . ?
B6' B10' 1.761(2) . ?
B6' B11' 1.778(2) . ?
B7' H7' 1.100(17) . ?
B7' B8' 1.777(2) . ?
B7' B11' 1.800(2) . ?
B7' B12' 1.794(2) . ?
B8' H8' 1.064(17) . ?
B8' B9' 1.794(2) . ?
B8' B12' 1.798(2) . ?
B9' H9' 1.078(18) . ?
B9' B10' 1.792(2) . ?
B9' B12' 1.790(2) . ?
B10' H10' 1.120(17) . ?
B10' B11' 1.785(2) . ?
B10' B12' 1.808(2) . ?
B11' H11' 1.020(18) . ?
B11' B12' 1.775(3) . ?
B12' H12' 1.054(18) . ?

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 B3 61.12(8) . . ?
C2 C1 B4 112.15(10) . . ?
C2 C1 B5 112.91(10) . . ?
B3 C1 B4 62.11(9) . . ?
B5 C1 B3 112.89(11) . . ?
B5 C1 B4 61.91(9) . . ?
B6 C1 C2 61.47(8) . . ?
B6 C1 B3 112.15(11) . . ?
B6 C1 B4 113.37(11) . . ?
B6 C1 B5 63.01(9) . . ?
C1' C1 C2 112.54(10) . . ?
C1' C1 B3 118.32(11) . . ?
C1' C1 B4 125.35(11) . . ?
C1' C1 B5 122.99(11) . . ?
C1' C1 B6 114.74(12) . . ?
C21 N2 Ru1 177.43(11) . . ?
C101 P1 Ru1 115.67(5) . . ?
C101 P1 C111 101.83(7) . . ?
C101 P1 C121 103.74(6) . . ?
C111 P1 Ru1 118.13(5) . . ?
C111 P1 C121 100.00(7) . . ?
C121 P1 Ru1 115.12(5) . . ?
N2 Ru1 P1 91.12(3) . . ?
N2 Ru1 C2 93.55(5) . . ?
N2 Ru1 N3 84.22(5) . . ?
N2 Ru1 B3' 86.82(6) . . ?
C2 Ru1 P1 175.32(4) . . ?
C2 Ru1 N3 87.24(5) . . ?
N3 Ru1 P1 93.61(3) . . ?
N1 Ru1 N2 174.98(5) . . ?
N1 Ru1 P1 88.08(4) . . ?
N1 Ru1 C2 87.30(5) . . ?
N1 Ru1 N3 90.89(5) . . ?
N1 Ru1 B3' 98.18(6) . . ?
B3' Ru1 P1 94.63(4) . . ?
B3' Ru1 C2 85.26(5) . . ?
B3' Ru1 N3 167.93(6) . . ?
C1 C2 Ru1 117.14(8) . . ?
C1 C2 B3 59.69(8) . . ?
C1 C2 B6 59.17(8) . . ?
C1 C2 B7 106.92(10) . . ?
C1 C2 B11 106.79(10) . . ?
B3 C2 Ru1 120.41(9) . . ?
B3 C2 B6 109.09(10) . . ?
B6 C2 Ru1 117.00(9) . . ?
B7 C2 Ru1 127.46(9) . . ?
B7 C2 B3 60.58(9) . . ?
B7 C2 B6 109.30(10) . . ?
B7 C2 B11 60.99(9) . . ?
B11 C2 Ru1 124.76(9) . . ?
B11 C2 B3 109.77(11) . . ?
B11 C2 B6 60.44(9) . . ?
C31 N3 Ru1 160.66(13) . . ?
C1 B3 C2 59.18(8) . . ?
C1 B3 H3 119.8(9) . . ?
C1 B3 B4 59.28(8) . . ?
C1 B3 B7 105.51(11) . . ?
C1 B3 B8 105.74(11) . . ?
C2 B3 H3 119.1(9) . . ?
C2 B3 B4 108.26(11) . . ?
C2 B3 B7 59.29(9) . . ?
C2 B3 B8 108.00(11) . . ?
B4 B3 H3 121.2(9) . . ?
B7 B3 H3 124.4(9) . . ?
B7 B3 B4 108.56(11) . . ?
B7 B3 B8 60.77(9) . . ?
B8 B3 H3 126.0(10) . . ?
B8 B3 B4 59.89(9) . . ?
C11 N1 Ru1 174.25(12) . . ?
C1 B4 B3 58.61(8) . . ?
C1 B4 H4 117.8(9) . . ?
C1 B4 B5 58.45(9) . . ?
C1 B4 B8 104.92(10) . . ?
C1 B4 B9 104.92(11) . . ?
B3 B4 H4 116.5(9) . . ?
B5 B4 B3 107.21(11) . . ?
B5 B4 H4 122.6(9) . . ?
B8 B4 B3 59.50(9) . . ?
B8 B4 H4 125.1(9) . . ?
B8 B4 B5 108.19(12) . . ?
B8 B4 B9 60.36(9) . . ?
B9 B4 B3 107.49(11) . . ?
B9 B4 H4 129.8(9) . . ?
B9 B4 B5 60.10(10) . . ?
C1 B5 B4 59.64(9) . . ?
C1 B5 H5 118.7(10) . . ?
C1 B5 B6 58.41(8) . . ?
C1 B5 B9 105.70(11) . . ?
C1 B5 B10 104.92(10) . . ?
B4 B5 H5 121.8(10) . . ?
B4 B5 B6 107.81(11) . . ?
B4 B5 B9 59.93(9) . . ?
B4 B5 B10 108.17(12) . . ?
B6 B5 H5 118.0(10) . . ?
B9 B5 H5 128.0(10) . . ?
B9 B5 B6 107.44(11) . . ?
B10 B5 H5 125.0(10) . . ?
B10 B5 B6 59.29(9) . . ?
B10 B5 B9 60.30(10) . . ?
C1 B6 C2 59.37(8) . . ?
C1 B6 B5 58.58(8) . . ?
C1 B6 H6 120.1(9) . . ?
C1 B6 B10 105.58(11) . . ?
C1 B6 B11 106.08(12) . . ?
C2 B6 B5 107.62(11) . . ?
C2 B6 H6 121.9(9) . . ?
C2 B6 B10 107.94(12) . . ?
C2 B6 B11 59.34(9) . . ?
B5 B6 H6 119.1(9) . . ?
B10 B6 B5 59.96(9) . . ?
B10 B6 H6 124.1(10) . . ?
B11 B6 B5 108.92(12) . . ?
B11 B6 H6 125.3(9) . . ?
B11 B6 B10 61.18(9) . . ?
C2 B7 B3 60.12(9) . . ?
C2 B7 H7 118.0(9) . . ?
C2 B7 B8 107.93(11) . . ?
C2 B7 B11 59.55(9) . . ?
C2 B7 B12 107.70(11) . . ?
B3 B7 H7 117.4(9) . . ?
B3 B7 B8 59.86(9) . . ?
B3 B7 B11 108.26(11) . . ?
B3 B7 B12 108.13(11) . . ?
B8 B7 H7 122.7(9) . . ?
B11 B7 H7 122.9(9) . . ?
B11 B7 B8 108.89(11) . . ?
B11 B7 B12 60.48(10) . . ?
B12 B7 H7 126.7(9) . . ?
B12 B7 B8 60.37(9) . . ?
B3 B8 B4 60.61(9) . . ?
B3 B8 B7 59.38(9) . . ?
B3 B8 H8 120.2(10) . . ?
B3 B8 B9 107.96(12) . . ?
B3 B8 B12 107.16(12) . . ?
B4 B8 B7 108.02(12) . . ?
B4 B8 H8 120.4(9) . . ?
B4 B8 B9 59.86(9) . . ?
B4 B8 B12 107.81(12) . . ?
B7 B8 H8 122.0(9) . . ?
B7 B8 B9 107.66(12) . . ?
B7 B8 B12 59.63(9) . . ?
B9 B8 H8 122.9(9) . . ?
B9 B8 B12 59.94(9) . . ?
B12 B8 H8 123.8(10) . . ?
B4 B9 B5 59.97(9) . . ?
B4 B9 B8 59.77(9) . . ?
B4 B9 H9 121.9(10) . . ?
B4 B9 B10 107.84(11) . . ?
B4 B9 B12 107.92(11) . . ?
B5 B9 B8 107.62(11) . . ?
B5 B9 H9 123.1(10) . . ?
B5 B9 B10 59.83(9) . . ?
B5 B9 B12 107.59(11) . . ?
B8 B9 H9 120.8(11) . . ?
B8 B9 B10 107.77(11) . . ?
B8 B9 B12 60.17(9) . . ?
B10 B9 H9 122.4(11) . . ?
B12 B9 H9 121.0(10) . . ?
B12 B9 B10 59.72(10) . . ?
B5 B10 B9 59.87(9) . . ?
B5 B10 H10 121.2(9) . . ?
B5 B10 B11 107.94(11) . . ?
B5 B10 B12 107.93(12) . . ?
B6 B10 B5 60.75(9) . . ?
B6 B10 B9 108.25(12) . . ?
B6 B10 H10 119.9(10) . . ?
B6 B10 B11 59.15(9) . . ?
B6 B10 B12 107.34(11) . . ?
B9 B10 H10 123.4(9) . . ?
B9 B10 B11 107.97(12) . . ?
B11 B10 H10 121.1(9) . . ?
B12 B10 B9 60.12(10) . . ?
B12 B10 H10 123.3(9) . . ?
B12 B10 B11 59.87(10) . . ?
C2 B11 B6 60.22(9) . . ?
C2 B11 B7 59.46(9) . . ?
C2 B11 B10 107.44(11) . . ?
C2 B11 H11 118.0(9) . . ?
C2 B11 B12 107.38(12) . . ?
B6 B11 B7 107.92(11) . . ?
B6 B11 B10 59.67(9) . . ?
B6 B11 H11 117.8(9) . . ?
B6 B11 B12 107.59(11) . . ?
B7 B11 B10 107.72(12) . . ?
B7 B11 H11 123.0(9) . . ?
B7 B11 B12 60.16(10) . . ?
B10 B11 H11 123.7(9) . . ?
B12 B11 B10 59.67(9) . . ?
B12 B11 H11 127.0(9) . . ?
N1 C11 C12 178.08(17) . . ?
B7 B12 B8 60.00(9) . . ?
B7 B12 B9 107.90(11) . . ?
B7 B12 B10 107.71(12) . . ?
B7 B12 B11 59.36(9) . . ?
B7 B12 H12 121.7(10) . . ?
B8 B12 H12 123.4(10) . . ?
B9 B12 B8 59.88(9) . . ?
B9 B12 H12 122.8(9) . . ?
B10 B12 B8 107.90(12) . . ?
B10 B12 B9 60.16(10) . . ?
B10 B12 B11 60.46(9) . . ?
B10 B12 H12 120.9(10) . . ?
B11 B12 B8 107.69(11) . . ?
B11 B12 B9 108.46(12) . . ?
B11 B12 H12 119.9(10) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C21 C22 176.58(16) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C31 C32 176.52(18) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C102 C101 P1 118.92(11) . . ?
C106 C101 P1 121.84(11) . . ?
C106 C101 C102 118.83(13) . . ?
C101 C102 H102 119.7 . . ?
C103 C102 C101 120.67(13) . . ?
C103 C102 H102 119.7 . . ?
C102 C103 H103 120.0 . . ?
C102 C103 C104 120.04(14) . . ?
C104 C103 H103 120.0 . . ?
C103 C104 H104 120.1 . . ?
C105 C104 C103 119.77(14) . . ?
C105 C104 H104 120.1 . . ?
C104 C105 H105 119.9 . . ?
C104 C105 C106 120.27(14) . . ?
C106 C105 H105 119.9 . . ?
C101 C106 C105 120.35(14) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C112 C111 P1 121.18(11) . . ?
C116 C111 P1 120.45(10) . . ?
C116 C111 C112 118.20(14) . . ?
C111 C112 H112 119.7 . . ?
C113 C112 C111 120.64(14) . . ?
C113 C112 H112 119.7 . . ?
C112 C113 H113 119.7 . . ?
C112 C113 C114 120.66(14) . . ?
C114 C113 H113 119.7 . . ?
C113 C114 H114 120.4 . . ?
C115 C114 C113 119.20(16) . . ?
C115 C114 H114 120.4 . . ?
C114 C115 H115 119.8 . . ?
C114 C115 C116 120.47(14) . . ?
C116 C115 H115 119.8 . . ?
C111 C116 H116 119.6 . . ?
C115 C116 C111 120.82(13) . . ?
C115 C116 H116 119.6 . . ?
C122 C121 P1 124.32(11) . . ?
C122 C121 C126 118.94(13) . . ?
C126 C121 P1 116.72(11) . . ?
C121 C122 H122 119.9 . . ?
C121 C122 C123 120.12(14) . . ?
C123 C122 H122 119.9 . . ?
C122 C123 H123 119.8 . . ?
C124 C123 C122 120.31(15) . . ?
C124 C123 H123 119.8 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.11(14) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.1 . . ?
C126 C125 C124 119.72(15) . . ?
C126 C125 H125 120.1 . . ?
C121 C126 H126 119.6 . . ?
C125 C126 C121 120.76(14) . . ?
C125 C126 H126 119.6 . . ?
C1 C1' C2' 116.53(11) . . ?
C1 C1' B3' 111.38(10) . . ?
C1 C1' B4' 123.05(12) . . ?
C1 C1' B5' 124.20(11) . . ?
C1 C1' B6' 117.38(11) . . ?
C2' C1' B3' 63.72(8) . . ?
C2' C1' B4' 108.81(11) . . ?
C2' C1' B5' 110.05(11) . . ?
C2' C1' B6' 61.85(8) . . ?
B4' C1' B3' 61.11(8) . . ?
B4' C1' B5' 62.91(9) . . ?
B4' C1' B6' 113.42(11) . . ?
B5' C1' B3' 115.81(11) . . ?
B5' C1' B6' 61.74(9) . . ?
B6' C1' B3' 118.23(10) . . ?
C1' C2' H2' 114.9(10) . . ?
C1' C2' B3' 65.21(9) . . ?
C1' C2' B6' 62.86(9) . . ?
C1' C2' B7' 113.86(12) . . ?
C1' C2' B11' 113.37(11) . . ?
B3' C2' H2' 115.2(10) . . ?
B6' C2' H2' 111.7(10) . . ?
B6' C2' B3' 120.37(11) . . ?
B7' C2' H2' 122.5(10) . . ?
B7' C2' B3' 62.80(9) . . ?
B7' C2' B6' 116.36(11) . . ?
B7' C2' B11' 64.16(9) . . ?
B11' C2' H2' 118.4(10) . . ?
B11' C2' B3' 118.45(11) . . ?
B11' C2' B6' 62.28(9) . . ?
C1' B3' Ru1 113.51(9) . . ?
C2' B3' Ru1 116.19(9) . . ?
C2' B3' C1' 51.06(7) . . ?
B4' B3' Ru1 128.34(10) . . ?
B4' B3' C1' 55.02(8) . . ?
B4' B3' C2' 94.30(10) . . ?
B4' B3' B7' 101.17(10) . . ?
B7' B3' Ru1 130.42(10) . . ?
B7' B3' C1' 95.34(9) . . ?
B7' B3' C2' 53.86(8) . . ?
B8' B3' Ru1 144.68(10) . . ?
B8' B3' C1' 97.71(9) . . ?
B8' B3' C2' 95.91(10) . . ?
B8' B3' B4' 58.04(9) . . ?
B8' B3' B7' 57.85(9) . . ?
C1' B4' B3' 63.87(9) . . ?
C1' B4' H4' 120.5(10) . . ?
C1' B4' B5' 58.68(9) . . ?
C1' B4' B8' 105.88(12) . . ?
C1' B4' B9' 104.75(11) . . ?
B3' B4' H4' 117.4(9) . . ?
B5' B4' B3' 114.57(12) . . ?
B5' B4' H4' 117.0(9) . . ?
B8' B4' B3' 60.38(9) . . ?
B8' B4' H4' 126.5(10) . . ?
B8' B4' B5' 108.76(11) . . ?
B8' B4' B9' 60.44(9) . . ?
B9' B4' B3' 111.92(11) . . ?
B9' B4' H4' 123.4(9) . . ?
B9' B4' B5' 59.79(9) . . ?
C1' B5' B4' 58.41(9) . . ?
C1' B5' H5' 118.3(9) . . ?
C1' B5' B6' 59.76(9) . . ?
C1' B5' B9' 104.53(10) . . ?
C1' B5' B10' 104.90(11) . . ?
B4' B5' H5' 117.0(9) . . ?
B6' B5' B4' 108.16(11) . . ?
B6' B5' H5' 122.1(10) . . ?
B6' B5' B9' 107.29(11) . . ?
B6' B5' B10' 59.00(9) . . ?
B9' B5' B4' 59.77(9) . . ?
B9' B5' H5' 125.7(10) . . ?
B9' B5' B10' 60.06(9) . . ?
B10' B5' B4' 107.79(11) . . ?
B10' B5' H5' 129.0(9) . . ?
C1' B6' B5' 58.50(9) . . ?
C1' B6' H6' 117.1(9) . . ?
C1' B6' B10' 105.26(12) . . ?
C1' B6' B11' 103.73(10) . . ?
C2' B6' C1' 55.29(8) . . ?
C2' B6' B5' 102.33(11) . . ?
C2' B6' H6' 118.4(9) . . ?
C2' B6' B10' 103.82(11) . . ?
C2' B6' B11' 58.03(8) . . ?
B5' B6' H6' 124.8(10) . . ?
B10' B6' B5' 60.71(10) . . ?
B10' B6' H6' 131.8(9) . . ?
B10' B6' B11' 60.59(9) . . ?
B11' B6' B5' 108.21(12) . . ?
B11' B6' H6' 124.2(10) . . ?
C2' B7' B3' 63.34(9) . . ?
C2' B7' H7' 116.9(9) . . ?
C2' B7' B8' 104.38(11) . . ?
C2' B7' B11' 58.45(9) . . ?
C2' B7' B12' 103.64(10) . . ?
B3' B7' H7' 115.9(9) . . ?
B8' B7' B3' 60.07(9) . . ?
B8' B7' H7' 130.7(9) . . ?
B8' B7' B11' 107.90(11) . . ?
B8' B7' B12' 60.46(9) . . ?
B11' B7' B3' 114.08(11) . . ?
B11' B7' H7' 115.9(9) . . ?
B12' B7' B3' 111.69(11) . . ?
B12' B7' H7' 127.2(9) . . ?
B12' B7' B11' 59.20(9) . . ?
B3' B8' H8' 117.5(9) . . ?
B4' B8' B3' 61.58(9) . . ?
B4' B8' B7' 106.95(12) . . ?
B4' B8' H8' 121.7(10) . . ?
B4' B8' B9' 60.12(9) . . ?
B4' B8' B12' 107.78(11) . . ?
B7' B8' B3' 62.08(9) . . ?
B7' B8' H8' 123.6(10) . . ?
B7' B8' B9' 107.57(11) . . ?
B7' B8' B12' 60.24(9) . . ?
B9' B8' B3' 112.66(11) . . ?
B9' B8' H8' 120.0(9) . . ?
B9' B8' B12' 59.78(9) . . ?
B12' B8' B3' 113.19(12) . . ?
B12' B8' H8' 120.9(9) . . ?
B4' B9' B5' 60.44(9) . . ?
B4' B9' B8' 59.44(9) . . ?
B4' B9' H9' 119.3(10) . . ?
B4' B9' B10' 108.32(12) . . ?
B4' B9' B12' 107.61(11) . . ?
B5' B9' B8' 108.48(11) . . ?
B5' B9' H9' 117.2(10) . . ?
B5' B9' B10' 60.06(9) . . ?
B5' B9' B12' 108.50(12) . . ?
B8' B9' H9' 123.8(9) . . ?
B10' B9' B8' 108.99(12) . . ?
B10' B9' H9' 121.1(9) . . ?
B12' B9' B8' 60.24(9) . . ?
B12' B9' H9' 125.7(10) . . ?
B12' B9' B10' 60.62(9) . . ?
B5' B10' B9' 59.88(9) . . ?
B5' B10' H10' 121.2(9) . . ?
B5' B10' B12' 107.57(11) . . ?
B6' B10' B5' 60.29(9) . . ?
B6' B10' B9' 108.16(11) . . ?
B6' B10' H10' 117.9(9) . . ?
B6' B10' B11' 60.19(9) . . ?
B6' B10' B12' 107.97(11) . . ?
B9' B10' H10' 125.1(9) . . ?
B9' B10' B12' 59.64(9) . . ?
B11' B10' B5' 107.57(11) . . ?
B11' B10' B9' 106.81(11) . . ?
B11' B10' H10' 120.9(9) . . ?
B11' B10' B12' 59.22(9) . . ?
B12' B10' H10' 124.5(9) . . ?
C2' B11' B6' 59.69(8) . . ?
C2' B11' B7' 57.39(8) . . ?
C2' B11' B10' 104.04(11) . . ?
C2' B11' H11' 117.6(10) . . ?
C2' B11' B12' 103.64(11) . . ?
B6' B11' B7' 108.55(11) . . ?
B6' B11' B10' 59.23(9) . . ?
B6' B11' H11' 116.5(10) . . ?
B7' B11' H11' 120.1(10) . . ?
B10' B11' B7' 108.71(12) . . ?
B10' B11' H11' 127.4(9) . . ?
B12' B11' B6' 108.65(12) . . ?
B12' B11' B7' 60.25(9) . . ?
B12' B11' B10' 61.02(9) . . ?
B12' B11' H11' 129.6(10) . . ?
B7' B12' B8' 59.30(9) . . ?
B7' B12' B10' 107.96(11) . . ?
B7' B12' H12' 121.4(9) . . ?
B8' B12' B10' 108.09(11) . . ?
B8' B12' H12' 123.6(10) . . ?
B9' B12' B7' 106.99(11) . . ?
B9' B12' B8' 59.98(9) . . ?
B9' B12' B10' 59.74(9) . . ?
B9' B12' H12' 124.1(10) . . ?
B10' B12' H12' 120.9(9) . . ?
B11' B12' B7' 60.55(9) . . ?
B11' B12' B8' 108.04(11) . . ?
B11' B12' B9' 107.33(11) . . ?
B11' B12' B10' 59.76(9) . . ?
B11' B12' H12' 119.4(10) . . ?

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 B3 B4 34.58(10) . . . . ?
C1 C2 B3 B7 135.76(11) . . . . ?
C1 C2 B3 B8 97.96(11) . . . . ?
C1 C2 B6 B5 -34.53(10) . . . . ?
C1 C2 B6 B10 -97.84(12) . . . . ?
C1 C2 B6 B11 -136.49(11) . . . . ?
C1 C2 B7 B3 -39.01(10) . . . . ?
C1 C2 B7 B8 -1.63(14) . . . . ?
C1 C2 B7 B11 100.17(11) . . . . ?
C1 C2 B7 B12 62.13(13) . . . . ?
C1 C2 B11 B6 38.13(10) . . . . ?
C1 C2 B11 B7 -100.38(11) . . . . ?
C1 C2 B11 B10 0.28(15) . . . . ?
C1 C2 B11 B12 -62.57(13) . . . . ?
C1 B3 B4 B5 33.84(10) . . . . ?
C1 B3 B4 B8 135.19(12) . . . . ?
C1 B3 B4 B9 97.12(12) . . . . ?
C1 B3 B7 C2 38.44(9) . . . . ?
C1 B3 B7 B8 -99.64(11) . . . . ?
C1 B3 B7 B11 2.05(14) . . . . ?
C1 B3 B7 B12 -61.98(14) . . . . ?
C1 B3 B8 B4 -39.01(10) . . . . ?
C1 B3 B8 B7 99.25(12) . . . . ?
C1 B3 B8 B9 -1.04(14) . . . . ?
C1 B3 B8 B12 62.15(13) . . . . ?
C1 B4 B5 B6 34.32(10) . . . . ?
C1 B4 B5 B9 134.55(11) . . . . ?
C1 B4 B5 B10 96.99(11) . . . . ?
C1 B4 B8 B3 38.50(10) . . . . ?
C1 B4 B8 B7 1.45(15) . . . . ?
C1 B4 B8 B9 -98.91(12) . . . . ?
C1 B4 B8 B12 -61.55(13) . . . . ?
C1 B4 B9 B5 -38.94(10) . . . . ?
C1 B4 B9 B8 98.92(11) . . . . ?
C1 B4 B9 B10 -1.66(14) . . . . ?
C1 B4 B9 B12 61.42(14) . . . . ?
C1 B5 B6 C2 34.86(10) . . . . ?
C1 B5 B6 B10 135.79(12) . . . . ?
C1 B5 B6 B11 97.68(12) . . . . ?
C1 B5 B9 B4 39.70(10) . . . . ?
C1 B5 B9 B8 2.23(14) . . . . ?
C1 B5 B9 B10 -98.48(11) . . . . ?
C1 B5 B9 B12 -61.24(14) . . . . ?
C1 B5 B10 B6 -37.93(11) . . . . ?
C1 B5 B10 B9 99.82(12) . . . . ?
C1 B5 B10 B11 -0.97(16) . . . . ?
C1 B5 B10 B12 62.31(14) . . . . ?
C1 B6 B10 B5 38.15(10) . . . . ?
C1 B6 B10 B9 0.39(14) . . . . ?
C1 B6 B10 B11 -100.07(12) . . . . ?
C1 B6 B10 B12 -63.09(13) . . . . ?
C1 B6 B11 C2 -38.06(10) . . . . ?
C1 B6 B11 B7 -1.22(14) . . . . ?
C1 B6 B11 B10 99.23(12) . . . . ?
C1 B6 B11 B12 62.29(13) . . . . ?
C1 C1' C2' B3' 102.00(12) . . . . ?
C1 C1' C2' B6' -108.41(13) . . . . ?
C1 C1' C2' B7' 143.00(11) . . . . ?
C1 C1' C2' B11' -146.15(12) . . . . ?
C1 C1' B3' Ru1 -4.49(14) . . . . ?
C1 C1' B3' C2' -109.98(12) . . . . ?
C1 C1' B3' B4' 116.93(13) . . . . ?
C1 C1' B3' B7' -143.16(11) . . . . ?
C1 C1' B3' B8' 158.63(11) . . . . ?
C1 C1' B4' B3' -97.92(12) . . . . ?
C1 C1' B4' B5' 114.86(13) . . . . ?
C1 C1' B4' B8' -142.53(11) . . . . ?
C1 C1' B4' B9' 154.57(11) . . . . ?
C1 C1' B5' B4' -113.14(15) . . . . ?
C1 C1' B5' B6' 105.42(14) . . . . ?
C1 C1' B5' B9' -152.80(13) . . . . ?
C1 C1' B5' B10' 144.88(13) . . . . ?
C1 C1' B6' C2' 107.07(13) . . . . ?
C1 C1' B6' B5' -116.12(12) . . . . ?
C1 C1' B6' B10' -156.49(11) . . . . ?
C1 C1' B6' B11' 140.72(12) . . . . ?
P1 C101 C102 C103 -170.34(10) . . . . ?
P1 C101 C106 C105 170.72(11) . . . . ?
P1 C111 C112 C113 -175.58(14) . . . . ?
P1 C111 C116 C115 175.08(12) . . . . ?
P1 C121 C122 C123 -179.77(12) . . . . ?
P1 C121 C126 C125 178.21(13) . . . . ?
Ru1 P1 C101 C102 64.63(11) . . . . ?
Ru1 P1 C101 C106 -108.00(11) . . . . ?
Ru1 P1 C111 C112 -153.39(11) . . . . ?
Ru1 P1 C111 C116 31.36(13) . . . . ?
Ru1 P1 C121 C122 -126.65(12) . . . . ?
Ru1 P1 C121 C126 54.90(13) . . . . ?
Ru1 C2 B3 C1 105.64(10) . . . . ?
Ru1 C2 B3 B4 140.22(9) . . . . ?
Ru1 C2 B3 B7 -118.60(11) . . . . ?
Ru1 C2 B3 B8 -156.41(9) . . . . ?
Ru1 C2 B6 C1 -106.98(10) . . . . ?
Ru1 C2 B6 B5 -141.51(9) . . . . ?
Ru1 C2 B6 B10 155.18(9) . . . . ?
Ru1 C2 B6 B11 116.53(11) . . . . ?
Ru1 C2 B7 B3 107.46(12) . . . . ?
Ru1 C2 B7 B8 144.85(10) . . . . ?
Ru1 C2 B7 B11 -113.35(12) . . . . ?
Ru1 C2 B7 B12 -151.39(10) . . . . ?
Ru1 C2 B11 B6 -103.99(12) . . . . ?
Ru1 C2 B11 B7 117.50(11) . . . . ?
Ru1 C2 B11 B10 -141.84(10) . . . . ?
Ru1 C2 B11 B12 155.31(9) . . . . ?
Ru1 B3' B4' C1' 93.87(12) . . . . ?
Ru1 B3' B4' B5' 124.44(12) . . . . ?
Ru1 B3' B4' B8' -137.11(13) . . . . ?
Ru1 B3' B4' B9' -169.91(10) . . . . ?
Ru1 B3' B7' C2' -95.50(13) . . . . ?
Ru1 B3' B7' B8' 136.93(14) . . . . ?
Ru1 B3' B7' B11' -125.53(12) . . . . ?
Ru1 B3' B7' B12' 169.67(10) . . . . ?
Ru1 B3' B8' B4' 112.60(19) . . . . ?
Ru1 B3' B8' B7' -115.95(18) . . . . ?
Ru1 B3' B8' B9' 145.48(15) . . . . ?
Ru1 B3' B8' B12' -149.01(15) . . . . ?
C2 C1 B3 B4 -141.17(11) . . . . ?
C2 C1 B3 B7 -38.50(9) . . . . ?
C2 C1 B3 B8 -101.86(11) . . . . ?
C2 C1 B4 B3 36.36(10) . . . . ?
C2 C1 B4 B5 -105.02(12) . . . . ?
C2 C1 B4 B8 -2.57(14) . . . . ?
C2 C1 B4 B9 -65.28(13) . . . . ?
C2 C1 B5 B4 103.79(12) . . . . ?
C2 C1 B5 B6 -37.14(11) . . . . ?
C2 C1 B5 B9 63.96(14) . . . . ?
C2 C1 B5 B10 1.20(15) . . . . ?
C2 C1 B6 B5 140.72(11) . . . . ?
C2 C1 B6 B10 101.92(11) . . . . ?
C2 C1 B6 B11 38.05(10) . . . . ?
C2 C1 C1' C2' -67.64(14) . . . . ?
C2 C1 C1' B3' 2.73(15) . . . . ?
C2 C1 C1' B4' 71.37(15) . . . . ?
C2 C1 C1' B5' 148.97(12) . . . . ?
C2 C1 C1' B6' -138.06(11) . . . . ?
C2 B3 B4 C1 -34.55(10) . . . . ?
C2 B3 B4 B5 -0.71(14) . . . . ?
C2 B3 B4 B8 100.65(12) . . . . ?
C2 B3 B4 B9 62.58(14) . . . . ?
C2 B3 B7 B8 -138.08(11) . . . . ?
C2 B3 B7 B11 -36.39(10) . . . . ?
C2 B3 B7 B12 -100.42(12) . . . . ?
C2 B3 B8 B4 -101.10(12) . . . . ?
C2 B3 B8 B7 37.16(10) . . . . ?
C2 B3 B8 B9 -63.13(13) . . . . ?
C2 B3 B8 B12 0.06(14) . . . . ?
C2 B6 B10 B5 100.39(12) . . . . ?
C2 B6 B10 B9 62.63(13) . . . . ?
C2 B6 B10 B11 -37.82(11) . . . . ?
C2 B6 B10 B12 -0.85(15) . . . . ?
C2 B6 B11 B7 36.84(10) . . . . ?
C2 B6 B11 B10 137.30(12) . . . . ?
C2 B6 B11 B12 100.35(12) . . . . ?
C2 B7 B8 B3 -37.51(11) . . . . ?
C2 B7 B8 B4 0.09(15) . . . . ?
C2 B7 B8 B9 63.31(14) . . . . ?
C2 B7 B8 B12 100.58(13) . . . . ?
C2 B7 B11 B6 -37.18(10) . . . . ?
C2 B7 B11 B10 -100.18(11) . . . . ?
C2 B7 B11 B12 -137.58(11) . . . . ?
C2 B7 B12 B8 -100.96(12) . . . . ?
C2 B7 B12 B9 -63.65(15) . . . . ?
C2 B7 B12 B10 -0.12(15) . . . . ?
C2 B7 B12 B11 37.62(10) . . . . ?
C2 B11 B12 B7 -37.50(10) . . . . ?
C2 B11 B12 B8 -0.54(15) . . . . ?
C2 B11 B12 B9 62.80(14) . . . . ?
C2 B11 B12 B10 100.41(12) . . . . ?
B3 C1 C2 Ru1 -111.06(10) . . . . ?
B3 C1 C2 B6 142.19(11) . . . . ?
B3 C1 C2 B7 39.43(10) . . . . ?
B3 C1 C2 B11 103.47(12) . . . . ?
B3 C1 B4 B5 -141.37(11) . . . . ?
B3 C1 B4 B8 -38.93(10) . . . . ?
B3 C1 B4 B9 -101.64(12) . . . . ?
B3 C1 B5 B4 36.79(11) . . . . ?
B3 C1 B5 B6 -104.14(12) . . . . ?
B3 C1 B5 B9 -3.04(15) . . . . ?
B3 C1 B5 B10 -65.80(14) . . . . ?
B3 C1 B6 C2 -35.42(10) . . . . ?
B3 C1 B6 B5 105.30(12) . . . . ?
B3 C1 B6 B10 66.50(13) . . . . ?
B3 C1 B6 B11 2.63(14) . . . . ?
B3 C1 C1' C2' 0.62(16) . . . . ?
B3 C1 C1' B3' 71.00(14) . . . . ?
B3 C1 C1' B4' 139.64(12) . . . . ?
B3 C1 C1' B5' -142.76(13) . . . . ?
B3 C1 C1' B6' -69.79(14) . . . . ?
B3 C2 B6 C1 34.06(10) . . . . ?
B3 C2 B6 B5 -0.47(14) . . . . ?
B3 C2 B6 B10 -63.78(13) . . . . ?
B3 C2 B6 B11 -102.43(12) . . . . ?
B3 C2 B7 B8 37.39(10) . . . . ?
B3 C2 B7 B11 139.19(11) . . . . ?
B3 C2 B7 B12 101.15(12) . . . . ?
B3 C2 B11 B6 101.28(11) . . . . ?
B3 C2 B11 B7 -37.23(10) . . . . ?
B3 C2 B11 B10 63.44(14) . . . . ?
B3 C2 B11 B12 0.59(14) . . . . ?
B3 B4 B5 C1 -33.91(10) . . . . ?
B3 B4 B5 B6 0.42(15) . . . . ?
B3 B4 B5 B9 100.65(12) . . . . ?
B3 B4 B5 B10 63.08(13) . . . . ?
B3 B4 B8 B7 -37.05(11) . . . . ?
B3 B4 B8 B9 -137.42(12) . . . . ?
B3 B4 B8 B12 -100.06(12) . . . . ?
B3 B4 B9 B5 -100.17(12) . . . . ?
B3 B4 B9 B8 37.68(11) . . . . ?
B3 B4 B9 B10 -62.90(14) . . . . ?
B3 B4 B9 B12 0.19(16) . . . . ?
B3 B7 B8 B4 37.59(11) . . . . ?
B3 B7 B8 B9 100.82(12) . . . . ?
B3 B7 B8 B12 138.09(12) . . . . ?
B3 B7 B11 C2 36.64(10) . . . . ?
B3 B7 B11 B6 -0.54(14) . . . . ?
B3 B7 B11 B10 -63.54(14) . . . . ?
B3 B7 B11 B12 -100.94(12) . . . . ?
B3 B7 B12 B8 -37.43(11) . . . . ?
B3 B7 B12 B9 -0.12(16) . . . . ?
B3 B7 B12 B10 63.41(15) . . . . ?
B3 B7 B12 B11 101.15(13) . . . . ?
B3 B8 B9 B4 -38.30(11) . . . . ?
B3 B8 B9 B5 -0.74(15) . . . . ?
B3 B8 B9 B10 62.40(14) . . . . ?
B3 B8 B9 B12 99.83(12) . . . . ?
B3 B8 B12 B7 36.98(11) . . . . ?
B3 B8 B12 B9 -101.20(12) . . . . ?
B3 B8 B12 B10 -63.55(13) . . . . ?
B3 B8 B12 B11 0.29(15) . . . . ?
B4 C1 C2 Ru1 -147.81(9) . . . . ?
B4 C1 C2 B3 -36.76(11) . . . . ?
B4 C1 C2 B6 105.43(12) . . . . ?
B4 C1 C2 B7 2.67(14) . . . . ?
B4 C1 C2 B11 66.71(14) . . . . ?
B4 C1 B3 C2 141.17(11) . . . . ?
B4 C1 B3 B7 102.67(11) . . . . ?
B4 C1 B3 B8 39.30(10) . . . . ?
B4 C1 B5 B6 -140.93(11) . . . . ?
B4 C1 B5 B9 -39.83(10) . . . . ?
B4 C1 B5 B10 -102.59(12) . . . . ?
B4 C1 B6 C2 -103.45(11) . . . . ?
B4 C1 B6 B5 37.28(11) . . . . ?
B4 C1 B6 B10 -1.53(14) . . . . ?
B4 C1 B6 B11 -65.40(13) . . . . ?
B4 C1 C1' C2' 75.01(15) . . . . ?
B4 C1 C1' B3' 145.38(12) . . . . ?
B4 C1 C1' B4' -145.98(12) . . . . ?
B4 C1 C1' B5' -68.38(18) . . . . ?
B4 C1 C1' B6' 4.59(18) . . . . ?
B4 B3 B7 C2 100.66(12) . . . . ?
B4 B3 B7 B8 -37.42(11) . . . . ?
B4 B3 B7 B11 64.27(14) . . . . ?
B4 B3 B7 B12 0.24(16) . . . . ?
B4 B3 B8 B7 138.25(12) . . . . ?
B4 B3 B8 B9 37.96(11) . . . . ?
B4 B3 B8 B12 101.16(13) . . . . ?
B4 B5 B6 C1 -34.83(10) . . . . ?
B4 B5 B6 C2 0.02(15) . . . . ?
B4 B5 B6 B10 100.96(13) . . . . ?
B4 B5 B6 B11 62.85(14) . . . . ?
B4 B5 B9 B8 -37.47(10) . . . . ?
B4 B5 B9 B10 -138.18(11) . . . . ?
B4 B5 B9 B12 -100.93(12) . . . . ?
B4 B5 B10 B6 -100.34(12) . . . . ?
B4 B5 B10 B9 37.40(10) . . . . ?
B4 B5 B10 B11 -63.38(14) . . . . ?
B4 B5 B10 B12 -0.11(14) . . . . ?
B4 B8 B9 B5 37.56(11) . . . . ?
B4 B8 B9 B10 100.70(12) . . . . ?
B4 B8 B9 B12 138.12(12) . . . . ?
B4 B8 B12 B7 100.86(12) . . . . ?
B4 B8 B12 B9 -37.33(11) . . . . ?
B4 B8 B12 B10 0.33(15) . . . . ?
B4 B8 B12 B11 64.17(14) . . . . ?
B4 B9 B10 B5 -37.34(10) . . . . ?
B4 B9 B10 B6 0.82(15) . . . . ?
B4 B9 B10 B11 63.38(14) . . . . ?
B4 B9 B10 B12 100.74(12) . . . . ?
B4 B9 B12 B7 -0.04(16) . . . . ?
B4 B9 B12 B8 37.31(11) . . . . ?
B4 B9 B12 B10 -100.60(13) . . . . ?
B4 B9 B12 B11 -62.86(15) . . . . ?
B5 C1 C2 Ru1 144.52(10) . . . . ?
B5 C1 C2 B3 -104.42(12) . . . . ?
B5 C1 C2 B6 37.77(11) . . . . ?
B5 C1 C2 B7 -64.99(14) . . . . ?
B5 C1 C2 B11 -0.95(15) . . . . ?
B5 C1 B3 C2 104.46(11) . . . . ?
B5 C1 B3 B4 -36.71(11) . . . . ?
B5 C1 B3 B7 65.96(13) . . . . ?
B5 C1 B3 B8 2.60(15) . . . . ?
B5 C1 B4 B3 141.37(11) . . . . ?
B5 C1 B4 B8 102.44(12) . . . . ?
B5 C1 B4 B9 39.74(10) . . . . ?
B5 C1 B6 C2 -140.72(11) . . . . ?
B5 C1 B6 B10 -38.80(10) . . . . ?
B5 C1 B6 B11 -102.67(12) . . . . ?
B5 C1 C1' C2' 151.83(12) . . . . ?
B5 C1 C1' B3' -137.79(12) . . . . ?
B5 C1 C1' B4' -69.15(16) . . . . ?
B5 C1 C1' B5' 8.4(2) . . . . ?
B5 C1 C1' B6' 81.42(16) . . . . ?
B5 B4 B8 B3 99.66(12) . . . . ?
B5 B4 B8 B7 62.61(14) . . . . ?
B5 B4 B8 B9 -37.76(10) . . . . ?
B5 B4 B8 B12 -0.39(14) . . . . ?
B5 B4 B9 B8 137.85(11) . . . . ?
B5 B4 B9 B10 37.28(11) . . . . ?
B5 B4 B9 B12 100.36(13) . . . . ?
B5 B6 B10 B9 -37.76(11) . . . . ?
B5 B6 B10 B11 -138.22(13) . . . . ?
B5 B6 B10 B12 -101.24(13) . . . . ?
B5 B6 B11 C2 -99.72(12) . . . . ?
B5 B6 B11 B7 -62.88(14) . . . . ?
B5 B6 B11 B10 37.57(11) . . . . ?
B5 B6 B11 B12 0.63(15) . . . . ?
B5 B9 B10 B6 38.16(10) . . . . ?
B5 B9 B10 B11 100.72(12) . . . . ?
B5 B9 B10 B12 138.08(11) . . . . ?
B5 B9 B12 B7 63.27(15) . . . . ?
B5 B9 B12 B8 100.62(12) . . . . ?
B5 B9 B12 B10 -37.30(11) . . . . ?
B5 B9 B12 B11 0.44(16) . . . . ?
B5 B10 B11 C2 0.43(16) . . . . ?
B5 B10 B11 B6 -37.66(12) . . . . ?
B5 B10 B11 B7 63.13(15) . . . . ?
B5 B10 B11 B12 100.74(13) . . . . ?
B5 B10 B12 B7 -63.49(14) . . . . ?
B5 B10 B12 B8 -0.14(14) . . . . ?
B5 B10 B12 B9 37.40(10) . . . . ?
B5 B10 B12 B11 -100.74(12) . . . . ?
B6 C1 C2 Ru1 106.75(11) . . . . ?
B6 C1 C2 B3 -142.19(11) . . . . ?
B6 C1 C2 B7 -102.76(12) . . . . ?
B6 C1 C2 B11 -38.72(11) . . . . ?
B6 C1 B3 C2 35.56(10) . . . . ?
B6 C1 B3 B4 -105.61(12) . . . . ?
B6 C1 B3 B7 -2.94(14) . . . . ?
B6 C1 B3 B8 -66.31(13) . . . . ?
B6 C1 B4 B3 103.66(12) . . . . ?
B6 C1 B4 B5 -37.72(11) . . . . ?
B6 C1 B4 B8 64.73(14) . . . . ?
B6 C1 B4 B9 2.02(14) . . . . ?
B6 C1 B5 B4 140.93(11) . . . . ?
B6 C1 B5 B9 101.10(12) . . . . ?
B6 C1 B5 B10 38.34(11) . . . . ?
B6 C1 C1' C2' -135.42(11) . . . . ?
B6 C1 C1' B3' -65.05(14) . . . . ?
B6 C1 C1' B4' 3.60(16) . . . . ?
B6 C1 C1' B5' 81.20(15) . . . . ?
B6 C1 C1' B6' 154.17(11) . . . . ?
B6 C2 B3 C1 -33.85(10) . . . . ?
B6 C2 B3 B4 0.73(14) . . . . ?
B6 C2 B3 B7 101.91(11) . . . . ?
B6 C2 B3 B8 64.11(13) . . . . ?
B6 C2 B7 B3 -101.56(11) . . . . ?
B6 C2 B7 B8 -64.17(14) . . . . ?
B6 C2 B7 B11 37.63(10) . . . . ?
B6 C2 B7 B12 -0.41(14) . . . . ?
B6 C2 B11 B7 -138.51(11) . . . . ?
B6 C2 B11 B10 -37.85(11) . . . . ?
B6 C2 B11 B12 -100.70(12) . . . . ?
B6 B5 B9 B4 100.87(12) . . . . ?
B6 B5 B9 B8 63.40(14) . . . . ?
B6 B5 B9 B10 -37.30(11) . . . . ?
B6 B5 B9 B12 -0.06(15) . . . . ?
B6 B5 B10 B9 137.74(12) . . . . ?
B6 B5 B10 B11 36.96(11) . . . . ?
B6 B5 B10 B12 100.23(12) . . . . ?
B6 B10 B11 C2 38.10(11) . . . . ?
B6 B10 B11 B7 100.79(12) . . . . ?
B6 B10 B11 B12 138.41(12) . . . . ?
B6 B10 B12 B7 0.60(15) . . . . ?
B6 B10 B12 B8 63.95(14) . . . . ?
B6 B10 B12 B9 101.48(12) . . . . ?
B6 B10 B12 B11 -36.66(11) . . . . ?
B6 B11 B12 B7 -100.97(12) . . . . ?
B6 B11 B12 B8 -64.00(14) . . . . ?
B6 B11 B12 B9 -0.66(16) . . . . ?
B6 B11 B12 B10 36.95(11) . . . . ?
B7 C2 B3 C1 -135.76(11) . . . . ?
B7 C2 B3 B4 -101.18(12) . . . . ?
B7 C2 B3 B8 -37.81(10) . . . . ?
B7 C2 B6 C1 98.63(11) . . . . ?
B7 C2 B6 B5 64.10(13) . . . . ?
B7 C2 B6 B10 0.79(14) . . . . ?
B7 C2 B6 B11 -37.87(11) . . . . ?
B7 C2 B11 B6 138.51(11) . . . . ?
B7 C2 B11 B10 100.66(13) . . . . ?
B7 C2 B11 B12 37.82(10) . . . . ?
B7 B3 B4 C1 -97.39(12) . . . . ?
B7 B3 B4 B5 -63.55(14) . . . . ?
B7 B3 B4 B8 37.80(11) . . . . ?
B7 B3 B4 B9 -0.27(16) . . . . ?
B7 B3 B8 B4 -138.25(12) . . . . ?
B7 B3 B8 B9 -100.29(13) . . . . ?
B7 B3 B8 B12 -37.10(11) . . . . ?
B7 B8 B9 B4 -100.99(12) . . . . ?
B7 B8 B9 B5 -63.43(14) . . . . ?
B7 B8 B9 B10 -0.29(15) . . . . ?
B7 B8 B9 B12 37.14(11) . . . . ?
B7 B8 B12 B9 -138.18(12) . . . . ?
B7 B8 B12 B10 -100.53(12) . . . . ?
B7 B8 B12 B11 -36.69(11) . . . . ?
B7 B11 B12 B8 36.96(11) . . . . ?
B7 B11 B12 B9 100.30(13) . . . . ?
B7 B11 B12 B10 137.91(12) . . . . ?
B8 B3 B4 C1 -135.19(12) . . . . ?
B8 B3 B4 B5 -101.35(12) . . . . ?
B8 B3 B4 B9 -38.07(11) . . . . ?
B8 B3 B7 C2 138.08(11) . . . . ?
B8 B3 B7 B11 101.69(12) . . . . ?
B8 B3 B7 B12 37.66(12) . . . . ?
B8 B4 B5 C1 -96.68(11) . . . . ?
B8 B4 B5 B6 -62.36(14) . . . . ?
B8 B4 B5 B9 37.87(10) . . . . ?
B8 B4 B5 B10 0.31(14) . . . . ?
B8 B4 B9 B5 -137.85(11) . . . . ?
B8 B4 B9 B10 -100.58(12) . . . . ?
B8 B4 B9 B12 -37.49(12) . . . . ?
B8 B7 B11 C2 100.15(12) . . . . ?
B8 B7 B11 B6 62.98(14) . . . . ?
B8 B7 B11 B10 -0.03(15) . . . . ?
B8 B7 B11 B12 -37.43(11) . . . . ?
B8 B7 B12 B9 37.31(11) . . . . ?
B8 B7 B12 B10 100.84(12) . . . . ?
B8 B7 B12 B11 138.58(12) . . . . ?
B8 B9 B10 B5 -100.45(12) . . . . ?
B8 B9 B10 B6 -62.30(14) . . . . ?
B8 B9 B10 B11 0.27(15) . . . . ?
B8 B9 B10 B12 37.63(11) . . . . ?
B8 B9 B12 B7 -37.36(11) . . . . ?
B8 B9 B12 B10 -137.92(12) . . . . ?
B8 B9 B12 B11 -100.18(13) . . . . ?
B9 B4 B5 C1 -134.55(11) . . . . ?
B9 B4 B5 B6 -100.23(12) . . . . ?
B9 B4 B5 B10 -37.56(10) . . . . ?
B9 B4 B8 B3 137.42(12) . . . . ?
B9 B4 B8 B7 100.37(13) . . . . ?
B9 B4 B8 B12 37.36(11) . . . . ?
B9 B5 B6 C1 -98.04(12) . . . . ?
B9 B5 B6 C2 -63.18(14) . . . . ?
B9 B5 B6 B10 37.75(11) . . . . ?
B9 B5 B6 B11 -0.36(15) . . . . ?
B9 B5 B10 B6 -137.74(12) . . . . ?
B9 B5 B10 B11 -100.78(13) . . . . ?
B9 B5 B10 B12 -37.51(10) . . . . ?
B9 B8 B12 B7 138.18(12) . . . . ?
B9 B8 B12 B10 37.65(11) . . . . ?
B9 B8 B12 B11 101.50(13) . . . . ?
B9 B10 B11 C2 -62.84(15) . . . . ?
B9 B10 B11 B6 -100.94(13) . . . . ?
B9 B10 B11 B7 -0.15(15) . . . . ?
B9 B10 B11 B12 37.47(11) . . . . ?
B9 B10 B12 B7 -100.88(12) . . . . ?
B9 B10 B12 B8 -37.53(11) . . . . ?
B9 B10 B12 B11 -138.14(12) . . . . ?
B10 B5 B6 C1 -135.79(12) . . . . ?
B10 B5 B6 C2 -100.93(12) . . . . ?
B10 B5 B6 B11 -38.11(11) . . . . ?
B10 B5 B9 B4 138.18(11) . . . . ?
B10 B5 B9 B8 100.71(12) . . . . ?
B10 B5 B9 B12 37.24(11) . . . . ?
B10 B6 B11 C2 -137.30(12) . . . . ?
B10 B6 B11 B7 -100.45(12) . . . . ?
B10 B6 B11 B12 -36.95(11) . . . . ?
B10 B9 B12 B7 100.56(13) . . . . ?
B10 B9 B12 B8 137.92(12) . . . . ?
B10 B9 B12 B11 37.74(11) . . . . ?
B10 B11 B12 B7 -137.91(12) . . . . ?
B10 B11 B12 B8 -100.95(12) . . . . ?
B10 B11 B12 B9 -37.61(11) . . . . ?
B11 C2 B3 C1 -98.36(11) . . . . ?
B11 C2 B3 B4 -63.78(13) . . . . ?
B11 C2 B3 B7 37.40(10) . . . . ?
B11 C2 B3 B8 -0.41(14) . . . . ?
B11 C2 B6 C1 136.49(11) . . . . ?
B11 C2 B6 B5 101.96(12) . . . . ?
B11 C2 B6 B10 38.65(11) . . . . ?
B11 C2 B7 B3 -139.19(11) . . . . ?
B11 C2 B7 B8 -101.80(12) . . . . ?
B11 C2 B7 B12 -38.04(10) . . . . ?
B11 B6 B10 B5 138.22(13) . . . . ?
B11 B6 B10 B9 100.45(13) . . . . ?
B11 B6 B10 B12 36.98(11) . . . . ?
B11 B7 B8 B3 -100.62(12) . . . . ?
B11 B7 B8 B4 -63.02(14) . . . . ?
B11 B7 B8 B9 0.20(15) . . . . ?
B11 B7 B8 B12 37.47(11) . . . . ?
B11 B7 B12 B8 -138.58(12) . . . . ?
B11 B7 B12 B9 -101.28(13) . . . . ?
B11 B7 B12 B10 -37.74(11) . . . . ?
B11 B10 B12 B7 37.26(11) . . . . ?
B11 B10 B12 B8 100.61(12) . . . . ?
B11 B10 B12 B9 138.14(12) . . . . ?
B12 B7 B8 B3 -138.09(12) . . . . ?
B12 B7 B8 B4 -100.50(13) . . . . ?
B12 B7 B8 B9 -37.27(11) . . . . ?
B12 B7 B11 C2 137.58(11) . . . . ?
B12 B7 B11 B6 100.40(12) . . . . ?
B12 B7 B11 B10 37.40(11) . . . . ?
B12 B8 B9 B4 -138.12(12) . . . . ?
B12 B8 B9 B5 -100.56(12) . . . . ?
B12 B8 B9 B10 -37.43(11) . . . . ?
B12 B9 B10 B5 -138.08(11) . . . . ?
B12 B9 B10 B6 -99.93(12) . . . . ?
B12 B9 B10 B11 -37.36(11) . . . . ?
B12 B10 B11 C2 -100.31(13) . . . . ?
B12 B10 B11 B6 -138.41(12) . . . . ?
B12 B10 B11 B7 -37.61(11) . . . . ?
C101 P1 C111 C112 78.73(13) . . . . ?
C101 P1 C111 C116 -96.51(12) . . . . ?
C101 P1 C121 C122 0.73(15) . . . . ?
C101 P1 C121 C126 -177.71(12) . . . . ?
C101 C102 C103 C104 -0.9(2) . . . . ?
C102 C101 C106 C105 -1.9(2) . . . . ?
C102 C103 C104 C105 -1.3(2) . . . . ?
C103 C104 C105 C106 1.8(2) . . . . ?
C104 C105 C106 C101 -0.2(2) . . . . ?
C106 C101 C102 C103 2.51(19) . . . . ?
C111 P1 C101 C102 -165.93(10) . . . . ?
C111 P1 C101 C106 21.44(12) . . . . ?
C111 P1 C121 C122 105.65(14) . . . . ?
C111 P1 C121 C126 -72.79(13) . . . . ?
C111 C112 C113 C114 0.3(3) . . . . ?
C112 C111 C116 C115 -0.3(2) . . . . ?
C112 C113 C114 C115 0.2(3) . . . . ?
C113 C114 C115 C116 -0.7(3) . . . . ?
C114 C115 C116 C111 0.8(2) . . . . ?
C116 C111 C112 C113 -0.2(2) . . . . ?
C121 P1 C101 C102 -62.40(12) . . . . ?
C121 P1 C101 C106 124.97(12) . . . . ?
C121 P1 C111 C112 -27.73(14) . . . . ?
C121 P1 C111 C116 157.03(12) . . . . ?
C121 C122 C123 C124 1.8(2) . . . . ?
C122 C121 C126 C125 -0.3(2) . . . . ?
C122 C123 C124 C125 -0.4(3) . . . . ?
C123 C124 C125 C126 -1.2(3) . . . . ?
C124 C125 C126 C121 1.6(3) . . . . ?
C126 C121 C122 C123 -1.4(2) . . . . ?
C1' C1 C2 Ru1 -0.11(15) . . . . ?
C1' C1 C2 B3 110.95(12) . . . . ?
C1' C1 C2 B6 -106.86(13) . . . . ?
C1' C1 C2 B7 150.38(11) . . . . ?
C1' C1 C2 B11 -145.58(12) . . . . ?
C1' C1 B3 C2 -101.55(12) . . . . ?
C1' C1 B3 B4 117.29(13) . . . . ?
C1' C1 B3 B7 -140.05(11) . . . . ?
C1' C1 B3 B8 156.59(11) . . . . ?
C1' C1 B4 B3 -106.41(14) . . . . ?
C1' C1 B4 B5 112.21(14) . . . . ?
C1' C1 B4 B8 -145.35(12) . . . . ?
C1' C1 B4 B9 151.95(12) . . . . ?
C1' C1 B5 B4 -115.81(14) . . . . ?
C1' C1 B5 B6 103.26(14) . . . . ?
C1' C1 B5 B9 -155.64(12) . . . . ?
C1' C1 B5 B10 141.60(13) . . . . ?
C1' C1 B6 C2 103.29(11) . . . . ?
C1' C1 B6 B5 -115.98(12) . . . . ?
C1' C1 B6 B10 -154.79(11) . . . . ?
C1' C1 B6 B11 141.34(11) . . . . ?
C1' C2' B3' Ru1 -100.03(10) . . . . ?
C1' C2' B3' B4' 36.88(9) . . . . ?
C1' C2' B3' B7' 137.58(11) . . . . ?
C1' C2' B3' B8' 95.15(10) . . . . ?
C1' C2' B6' B5' -36.68(10) . . . . ?
C1' C2' B6' B10' -99.17(12) . . . . ?
C1' C2' B6' B11' -140.60(12) . . . . ?
C1' C2' B7' B3' -42.04(10) . . . . ?
C1' C2' B7' B8' 3.12(14) . . . . ?
C1' C2' B7' B11' 105.53(12) . . . . ?
C1' C2' B7' B12' 65.64(13) . . . . ?
C1' C2' B11' B6' 37.97(11) . . . . ?
C1' C2' B11' B7' -106.28(13) . . . . ?
C1' C2' B11' B10' -2.83(15) . . . . ?
C1' C2' B11' B12' -65.87(13) . . . . ?
C1' B3' B4' B5' 30.57(10) . . . . ?
C1' B3' B4' B8' 129.02(11) . . . . ?
C1' B3' B4' B9' 96.22(12) . . . . ?
C1' B3' B7' C2' 31.80(9) . . . . ?
C1' B3' B7' B8' -95.77(10) . . . . ?
C1' B3' B7' B11' 1.77(14) . . . . ?
C1' B3' B7' B12' -63.03(13) . . . . ?
C1' B3' B8' B4' -39.97(9) . . . . ?
C1' B3' B8' B7' 91.48(10) . . . . ?
C1' B3' B8' B9' -7.09(14) . . . . ?
C1' B3' B8' B12' 58.42(13) . . . . ?
C1' B4' B5' B6' 34.53(10) . . . . ?
C1' B4' B5' B9' 134.36(12) . . . . ?
C1' B4' B5' B10' 96.88(12) . . . . ?
C1' B4' B8' B3' 46.49(10) . . . . ?
C1' B4' B8' B7' 2.67(13) . . . . ?
C1' B4' B8' B9' -98.22(12) . . . . ?
C1' B4' B8' B12' -60.77(13) . . . . ?
C1' B4' B9' B5' -39.17(10) . . . . ?
C1' B4' B9' B8' 100.13(12) . . . . ?
C1' B4' B9' B10' -1.55(14) . . . . ?
C1' B4' B9' B12' 62.52(13) . . . . ?
C1' B5' B6' C2' 35.16(9) . . . . ?
C1' B5' B6' B10' 134.23(11) . . . . ?
C1' B5' B6' B11' 95.25(11) . . . . ?
C1' B5' B9' B4' 38.99(11) . . . . ?
C1' B5' B9' B8' 2.69(15) . . . . ?
C1' B5' B9' B10' -99.05(12) . . . . ?
C1' B5' B9' B12' -61.21(13) . . . . ?
C1' B5' B10' B6' -39.84(10) . . . . ?
C1' B5' B10' B9' 98.41(11) . . . . ?
C1' B5' B10' B11' -1.20(14) . . . . ?
C1' B5' B10' B12' 61.23(14) . . . . ?
C1' B6' B10' B5' 39.29(9) . . . . ?
C1' B6' B10' B9' 1.98(14) . . . . ?
C1' B6' B10' B11' -97.39(11) . . . . ?
C1' B6' B10' B12' -61.09(14) . . . . ?
C1' B6' B11' C2' -32.49(10) . . . . ?
C1' B6' B11' B7' -1.21(15) . . . . ?
C1' B6' B11' B10' 99.97(12) . . . . ?
C1' B6' B11' B12' 62.74(13) . . . . ?
C2' C1' B3' Ru1 105.50(11) . . . . ?
C2' C1' B3' B4' -133.09(11) . . . . ?
C2' C1' B3' B7' -33.17(9) . . . . ?
C2' C1' B3' B8' -91.39(11) . . . . ?
C2' C1' B4' B3' 43.77(10) . . . . ?
C2' C1' B4' B5' -103.45(11) . . . . ?
C2' C1' B4' B8' -0.83(13) . . . . ?
C2' C1' B4' B9' -63.74(12) . . . . ?
C2' C1' B5' B4' 101.47(12) . . . . ?
C2' C1' B5' B6' -39.96(11) . . . . ?
C2' C1' B5' B9' 61.82(14) . . . . ?
C2' C1' B5' B10' -0.50(14) . . . . ?
C2' C1' B6' B5' 136.82(11) . . . . ?
C2' C1' B6' B10' 96.44(11) . . . . ?
C2' C1' B6' B11' 33.66(10) . . . . ?
C2' B3' B4' C1' -34.73(8) . . . . ?
C2' B3' B4' B5' -4.16(13) . . . . ?
C2' B3' B4' B8' 94.29(10) . . . . ?
C2' B3' B4' B9' 61.49(13) . . . . ?
C2' B3' B7' B8' -127.57(11) . . . . ?
C2' B3' B7' B11' -30.04(11) . . . . ?
C2' B3' B7' B12' -94.84(12) . . . . ?
C2' B3' B8' B4' -91.39(10) . . . . ?
C2' B3' B8' B7' 40.05(9) . . . . ?
C2' B3' B8' B9' -58.51(13) . . . . ?
C2' B3' B8' B12' 7.00(13) . . . . ?
C2' B6' B10' B5' 96.56(11) . . . . ?
C2' B6' B10' B9' 59.25(14) . . . . ?
C2' B6' B10' B11' -40.13(10) . . . . ?
C2' B6' B10' B12' -3.83(15) . . . . ?
C2' B6' B11' B7' 31.27(11) . . . . ?
C2' B6' B11' B10' 132.46(12) . . . . ?
C2' B6' B11' B12' 95.22(12) . . . . ?
C2' B7' B8' B3' -46.99(10) . . . . ?
C2' B7' B8' B4' -3.43(13) . . . . ?
C2' B7' B8' B9' 59.84(13) . . . . ?
C2' B7' B8' B12' 97.73(11) . . . . ?
C2' B7' B11' B6' -32.14(11) . . . . ?
C2' B7' B11' B10' -95.01(12) . . . . ?
C2' B7' B11' B12' -133.48(12) . . . . ?
C2' B7' B12' B8' -98.99(12) . . . . ?
C2' B7' B12' B9' -61.15(14) . . . . ?
C2' B7' B12' B10' 1.79(15) . . . . ?
C2' B7' B12' B11' 39.51(11) . . . . ?
C2' B11' B12' B7' -38.97(10) . . . . ?
C2' B11' B12' B8' -2.16(14) . . . . ?
C2' B11' B12' B9' 61.13(12) . . . . ?
C2' B11' B12' B10' 98.68(11) . . . . ?
B3' C1' C2' B6' 149.59(11) . . . . ?
B3' C1' C2' B7' 41.00(10) . . . . ?
B3' C1' C2' B11' 111.85(12) . . . . ?
B3' C1' B4' B5' -147.22(11) . . . . ?
B3' C1' B4' B8' -44.61(9) . . . . ?
B3' C1' B4' B9' -107.51(11) . . . . ?
B3' C1' B5' B4' 31.77(11) . . . . ?
B3' C1' B5' B6' -109.66(12) . . . . ?
B3' C1' B5' B9' -7.88(15) . . . . ?
B3' C1' B5' B10' -70.20(14) . . . . ?
B3' C1' B6' C2' -31.01(11) . . . . ?
B3' C1' B6' B5' 105.81(12) . . . . ?
B3' C1' B6' B10' 65.43(14) . . . . ?
B3' C1' B6' B11' 2.65(15) . . . . ?
B3' C2' B6' C1' 32.19(11) . . . . ?
B3' C2' B6' B5' -4.49(15) . . . . ?
B3' C2' B6' B10' -66.98(14) . . . . ?
B3' C2' B6' B11' -108.42(13) . . . . ?
B3' C2' B7' B8' 45.16(10) . . . . ?
B3' C2' B7' B11' 147.57(11) . . . . ?
B3' C2' B7' B12' 107.68(12) . . . . ?
B3' C2' B11' B6' 111.40(13) . . . . ?
B3' C2' B11' B7' -32.85(11) . . . . ?
B3' C2' B11' B10' 70.60(13) . . . . ?
B3' C2' B11' B12' 7.56(15) . . . . ?
B3' B4' B5' C1' -32.31(11) . . . . ?
B3' B4' B5' B6' 2.22(16) . . . . ?
B3' B4' B5' B9' 102.05(13) . . . . ?
B3' B4' B5' B10' 64.57(15) . . . . ?
B3' B4' B8' B7' -43.82(10) . . . . ?
B3' B4' B8' B9' -144.71(12) . . . . ?
B3' B4' B8' B12' -107.26(13) . . . . ?
B3' B4' B9' B5' -106.52(13) . . . . ?
B3' B4' B9' B8' 32.78(11) . . . . ?
B3' B4' B9' B10' -68.91(14) . . . . ?
B3' B4' B9' B12' -4.83(16) . . . . ?
B3' B7' B8' B4' 43.56(10) . . . . ?
B3' B7' B8' B9' 106.84(12) . . . . ?
B3' B7' B8' B12' 144.72(11) . . . . ?
B3' B7' B11' C2' 31.66(11) . . . . ?
B3' B7' B11' B6' -0.48(16) . . . . ?
B3' B7' B11' B10' -63.34(15) . . . . ?
B3' B7' B11' B12' -101.82(13) . . . . ?
B3' B7' B12' B8' -32.59(11) . . . . ?
B3' B7' B12' B9' 5.25(15) . . . . ?
B3' B7' B12' B10' 68.19(14) . . . . ?
B3' B7' B12' B11' 105.91(12) . . . . ?
B3' B8' B9' B4' -33.41(12) . . . . ?
B3' B8' B9' B5' 3.32(16) . . . . ?
B3' B8' B9' B10' 67.12(15) . . . . ?
B3' B8' B9' B12' 104.52(13) . . . . ?
B3' B8' B12' B7' 33.72(11) . . . . ?
B3' B8' B12' B9' -103.62(13) . . . . ?
B3' B8' B12' B10' -66.84(14) . . . . ?
B3' B8' B12' B11' -3.63(15) . . . . ?
B4' C1' C2' B3' -42.50(10) . . . . ?
B4' C1' C2' B6' 107.09(11) . . . . ?
B4' C1' C2' B7' -1.50(14) . . . . ?
B4' C1' C2' B11' 69.35(13) . . . . ?
B4' C1' B3' Ru1 -121.42(11) . . . . ?
B4' C1' B3' C2' 133.09(11) . . . . ?
B4' C1' B3' B7' 99.91(11) . . . . ?
B4' C1' B3' B8' 41.70(10) . . . . ?
B4' C1' B5' B6' -141.44(11) . . . . ?
B4' C1' B5' B9' -39.65(11) . . . . ?
B4' C1' B5' B10' -101.97(12) . . . . ?
B4' C1' B6' C2' -99.60(12) . . . . ?
B4' C1' B6' B5' 37.22(11) . . . . ?
B4' C1' B6' B10' -3.16(14) . . . . ?
B4' C1' B6' B11' -65.94(13) . . . . ?
B4' B3' B7' C2' 87.16(10) . . . . ?
B4' B3' B7' B8' -40.41(10) . . . . ?
B4' B3' B7' B11' 57.13(14) . . . . ?
B4' B3' B7' B12' -7.67(14) . . . . ?
B4' B3' B8' B7' 131.45(11) . . . . ?
B4' B3' B8' B9' 32.88(11) . . . . ?
B4' B3' B8' B12' 98.39(12) . . . . ?
B4' B5' B6' C1' -33.98(10) . . . . ?
B4' B5' B6' C2' 1.18(14) . . . . ?
B4' B5' B6' B10' 100.25(12) . . . . ?
B4' B5' B6' B11' 61.27(13) . . . . ?
B4' B5' B9' B8' -36.30(11) . . . . ?
B4' B5' B9' B10' -138.04(12) . . . . ?
B4' B5' B9' B12' -100.19(12) . . . . ?
B4' B5' B10' B6' -100.90(12) . . . . ?
B4' B5' B10' B9' 37.35(11) . . . . ?
B4' B5' B10' B11' -62.27(14) . . . . ?
B4' B5' B10' B12' 0.17(15) . . . . ?
B4' B8' B9' B5' 36.73(12) . . . . ?
B4' B8' B9' B10' 100.53(13) . . . . ?
B4' B8' B9' B12' 137.93(13) . . . . ?
B4' B8' B12' B7' 99.75(12) . . . . ?
B4' B8' B12' B9' -37.60(11) . . . . ?
B4' B8' B12' B10' -0.81(16) . . . . ?
B4' B8' B12' B11' 62.39(14) . . . . ?
B4' B9' B10' B5' -37.78(10) . . . . ?
B4' B9' B10' B6' -0.29(15) . . . . ?
B4' B9' B10' B11' 63.13(14) . . . . ?
B4' B9' B10' B12' 100.33(12) . . . . ?
B4' B9' B12' B7' -0.27(15) . . . . ?
B4' B9' B12' B8' 37.25(11) . . . . ?
B4' B9' B12' B10' -101.52(12) . . . . ?
B4' B9' B12' B11' -63.96(13) . . . . ?
B5' C1' C2' B3' -109.68(11) . . . . ?
B5' C1' C2' B6' 39.91(11) . . . . ?
B5' C1' C2' B7' -68.68(13) . . . . ?
B5' C1' C2' B11' 2.17(15) . . . . ?
B5' C1' B3' Ru1 -153.79(10) . . . . ?
B5' C1' B3' C2' 100.71(12) . . . . ?
B5' C1' B3' B4' -32.37(11) . . . . ?
B5' C1' B3' B7' 67.54(13) . . . . ?
B5' C1' B3' B8' 9.33(14) . . . . ?
B5' C1' B4' B3' 147.22(11) . . . . ?
B5' C1' B4' B8' 102.61(11) . . . . ?
B5' C1' B4' B9' 39.71(10) . . . . ?
B5' C1' B6' C2' -136.82(11) . . . . ?
B5' C1' B6' B10' -40.38(10) . . . . ?
B5' C1' B6' B11' -103.16(12) . . . . ?
B5' B4' B8' B3' 108.18(13) . . . . ?
B5' B4' B8' B7' 64.36(14) . . . . ?
B5' B4' B8' B9' -36.52(11) . . . . ?
B5' B4' B8' B12' 0.92(16) . . . . ?
B5' B4' B9' B8' 139.30(13) . . . . ?
B5' B4' B9' B10' 37.61(11) . . . . ?
B5' B4' B9' B12' 101.69(13) . . . . ?
B5' B6' B10' B9' -37.31(10) . . . . ?
B5' B6' B10' B11' -136.69(11) . . . . ?
B5' B6' B10' B12' -100.38(12) . . . . ?
B5' B6' B11' C2' -93.42(12) . . . . ?
B5' B6' B11' B7' -62.15(14) . . . . ?
B5' B6' B11' B10' 39.04(10) . . . . ?
B5' B6' B11' B12' 1.80(14) . . . . ?
B5' B9' B10' B6' 37.49(10) . . . . ?
B5' B9' B10' B11' 100.91(12) . . . . ?
B5' B9' B10' B12' 138.11(11) . . . . ?
B5' B9' B12' B7' 63.64(13) . . . . ?
B5' B9' B12' B8' 101.17(12) . . . . ?
B5' B9' B12' B10' -37.60(10) . . . . ?
B5' B9' B12' B11' -0.04(14) . . . . ?
B5' B10' B11' C2' 2.35(14) . . . . ?
B5' B10' B11' B6' -38.68(11) . . . . ?
B5' B10' B11' B7' 62.23(14) . . . . ?
B5' B10' B11' B12' 100.37(12) . . . . ?
B5' B10' B12' B7' -62.30(15) . . . . ?
B5' B10' B12' B8' 0.40(15) . . . . ?
B5' B10' B12' B9' 37.29(11) . . . . ?
B5' B10' B12' B11' -100.37(12) . . . . ?
B6' C1' C2' B3' -149.59(11) . . . . ?
B6' C1' C2' B7' -108.59(12) . . . . ?
B6' C1' C2' B11' -37.74(11) . . . . ?
B6' C1' B3' Ru1 135.93(11) . . . . ?
B6' C1' B3' C2' 30.43(11) . . . . ?
B6' C1' B3' B4' -102.65(13) . . . . ?
B6' C1' B3' B7' -2.74(14) . . . . ?
B6' C1' B3' B8' -60.95(14) . . . . ?
B6' C1' B4' B3' 110.47(11) . . . . ?
B6' C1' B4' B5' -36.75(11) . . . . ?
B6' C1' B4' B8' 65.86(13) . . . . ?
B6' C1' B4' B9' 2.96(14) . . . . ?
B6' C1' B5' B4' 141.44(11) . . . . ?
B6' C1' B5' B9' 101.78(12) . . . . ?
B6' C1' B5' B10' 39.46(10) . . . . ?
B6' C2' B3' Ru1 -131.51(11) . . . . ?
B6' C2' B3' C1' -31.47(11) . . . . ?
B6' C2' B3' B4' 5.40(14) . . . . ?
B6' C2' B3' B7' 106.10(13) . . . . ?
B6' C2' B3' B8' 63.68(13) . . . . ?
B6' C2' B7' B3' -112.32(13) . . . . ?
B6' C2' B7' B8' -67.15(14) . . . . ?
B6' C2' B7' B11' 35.25(12) . . . . ?
B6' C2' B7' B12' -4.64(16) . . . . ?
B6' C2' B11' B7' -144.25(12) . . . . ?
B6' C2' B11' B10' -40.80(11) . . . . ?
B6' C2' B11' B12' -103.84(12) . . . . ?
B6' B5' B9' B4' 101.33(12) . . . . ?
B6' B5' B9' B8' 65.03(14) . . . . ?
B6' B5' B9' B10' -36.71(10) . . . . ?
B6' B5' B9' B12' 1.14(14) . . . . ?
B6' B5' B10' B9' 138.25(11) . . . . ?
B6' B5' B10' B11' 38.63(10) . . . . ?
B6' B5' B10' B12' 101.07(12) . . . . ?
B6' B10' B11' C2' 41.03(10) . . . . ?
B6' B10' B11' B7' 100.91(12) . . . . ?
B6' B10' B11' B12' 139.05(12) . . . . ?
B6' B10' B12' B7' 1.35(16) . . . . ?
B6' B10' B12' B8' 64.05(15) . . . . ?
B6' B10' B12' B9' 100.94(12) . . . . ?
B6' B10' B12' B11' -36.72(11) . . . . ?
B6' B11' B12' B7' -101.18(12) . . . . ?
B6' B11' B12' B8' -64.37(13) . . . . ?
B6' B11' B12' B9' -1.08(14) . . . . ?
B6' B11' B12' B10' 36.47(10) . . . . ?
B7' C2' B3' Ru1 122.39(11) . . . . ?
B7' C2' B3' C1' -137.58(11) . . . . ?
B7' C2' B3' B4' -100.70(11) . . . . ?
B7' C2' B3' B8' -42.42(10) . . . . ?
B7' C2' B6' C1' 104.67(13) . . . . ?
B7' C2' B6' B5' 67.99(14) . . . . ?
B7' C2' B6' B10' 5.50(16) . . . . ?
B7' C2' B6' B11' -35.93(12) . . . . ?
B7' C2' B11' B6' 144.25(12) . . . . ?
B7' C2' B11' B10' 103.45(12) . . . . ?
B7' C2' B11' B12' 40.41(10) . . . . ?
B7' B3' B4' C1' -88.71(10) . . . . ?
B7' B3' B4' B5' -58.14(14) . . . . ?
B7' B3' B4' B8' 40.30(10) . . . . ?
B7' B3' B4' B9' 7.50(14) . . . . ?
B7' B3' B8' B4' -131.45(11) . . . . ?
B7' B3' B8' B9' -98.57(13) . . . . ?
B7' B3' B8' B12' -33.06(10) . . . . ?
B7' B8' B9' B4' -99.83(12) . . . . ?
B7' B8' B9' B5' -63.10(14) . . . . ?
B7' B8' B9' B10' 0.70(15) . . . . ?
B7' B8' B9' B12' 38.10(11) . . . . ?
B7' B8' B12' B9' -137.35(12) . . . . ?
B7' B8' B12' B10' -100.56(12) . . . . ?
B7' B8' B12' B11' -37.35(10) . . . . ?
B7' B11' B12' B8' 36.81(10) . . . . ?
B7' B11' B12' B9' 100.10(12) . . . . ?
B7' B11' B12' B10' 137.65(12) . . . . ?
B8' B3' B4' C1' -129.02(11) . . . . ?
B8' B3' B4' B5' -98.45(13) . . . . ?
B8' B3' B4' B9' -32.80(11) . . . . ?
B8' B3' B7' C2' 127.57(11) . . . . ?
B8' B3' B7' B11' 97.53(13) . . . . ?
B8' B3' B7' B12' 32.73(11) . . . . ?
B8' B4' B5' C1' -97.56(12) . . . . ?
B8' B4' B5' B6' -63.03(14) . . . . ?
B8' B4' B5' B9' 36.80(11) . . . . ?
B8' B4' B5' B10' -0.68(16) . . . . ?
B8' B4' B9' B5' -139.30(13) . . . . ?
B8' B4' B9' B10' -101.69(13) . . . . ?
B8' B4' B9' B12' -37.61(11) . . . . ?
B8' B7' B11' C2' 96.20(12) . . . . ?
B8' B7' B11' B6' 64.06(14) . . . . ?
B8' B7' B11' B10' 1.20(15) . . . . ?
B8' B7' B11' B12' -37.28(11) . . . . ?
B8' B7' B12' B9' 37.84(11) . . . . ?
B8' B7' B12' B10' 100.78(12) . . . . ?
B8' B7' B12' B11' 138.51(12) . . . . ?
B8' B9' B10' B5' -100.87(12) . . . . ?
B8' B9' B10' B6' -63.38(14) . . . . ?
B8' B9' B10' B11' 0.04(15) . . . . ?
B8' B9' B10' B12' 37.23(11) . . . . ?
B8' B9' B12' B7' -37.53(11) . . . . ?
B8' B9' B12' B10' -138.77(12) . . . . ?
B8' B9' B12' B11' -101.21(12) . . . . ?
B9' B4' B5' C1' -134.36(12) . . . . ?
B9' B4' B5' B6' -99.83(12) . . . . ?
B9' B4' B5' B10' -37.48(11) . . . . ?
B9' B4' B8' B3' 144.71(12) . . . . ?
B9' B4' B8' B7' 100.89(12) . . . . ?
B9' B4' B8' B12' 37.45(11) . . . . ?
B9' B5' B6' C1' -97.05(11) . . . . ?
B9' B5' B6' C2' -61.89(13) . . . . ?
B9' B5' B6' B10' 37.18(10) . . . . ?
B9' B5' B6' B11' -1.80(14) . . . . ?
B9' B5' B10' B6' -138.25(11) . . . . ?
B9' B5' B10' B11' -99.62(12) . . . . ?
B9' B5' B10' B12' -37.18(11) . . . . ?
B9' B8' B12' B7' 137.35(12) . . . . ?
B9' B8' B12' B10' 36.79(11) . . . . ?
B9' B8' B12' B11' 99.99(12) . . . . ?
B9' B10' B11' C2' -60.63(13) . . . . ?
B9' B10' B11' B6' -101.66(12) . . . . ?
B9' B10' B11' B7' -0.75(15) . . . . ?
B9' B10' B11' B12' 37.38(11) . . . . ?
B9' B10' B12' B7' -99.59(12) . . . . ?
B9' B10' B12' B8' -36.89(11) . . . . ?
B9' B10' B12' B11' -137.66(12) . . . . ?
B10' B5' B6' C1' -134.23(11) . . . . ?
B10' B5' B6' C2' -99.07(11) . . . . ?
B10' B5' B6' B11' -38.98(10) . . . . ?
B10' B5' B9' B4' 138.04(12) . . . . ?
B10' B5' B9' B8' 101.74(13) . . . . ?
B10' B5' B9' B12' 37.85(10) . . . . ?
B10' B6' B11' C2' -132.46(12) . . . . ?
B10' B6' B11' B7' -101.19(13) . . . . ?
B10' B6' B11' B12' -37.24(10) . . . . ?
B10' B9' B12' B7' 101.24(12) . . . . ?
B10' B9' B12' B8' 138.77(12) . . . . ?
B10' B9' B12' B11' 37.56(10) . . . . ?
B10' B11' B12' B7' -137.65(12) . . . . ?
B10' B11' B12' B8' -100.84(12) . . . . ?
B10' B11' B12' B9' -37.55(10) . . . . ?
B11' C2' B3' Ru1 155.68(10) . . . . ?
B11' C2' B3' C1' -104.28(12) . . . . ?
B11' C2' B3' B4' -67.40(13) . . . . ?
B11' C2' B3' B7' 33.30(11) . . . . ?
B11' C2' B3' B8' -9.13(14) . . . . ?
B11' C2' B6' C1' 140.60(12) . . . . ?
B11' C2' B6' B5' 103.93(12) . . . . ?
B11' C2' B6' B10' 41.44(11) . . . . ?
B11' C2' B7' B3' -147.57(11) . . . . ?
B11' C2' B7' B8' -102.41(12) . . . . ?
B11' C2' B7' B12' -39.89(11) . . . . ?
B11' B6' B10' B5' 136.69(11) . . . . ?
B11' B6' B10' B9' 99.37(12) . . . . ?
B11' B6' B10' B12' 36.30(11) . . . . ?
B11' B7' B8' B3' -107.99(12) . . . . ?
B11' B7' B8' B4' -64.43(13) . . . . ?
B11' B7' B8' B9' -1.15(15) . . . . ?
B11' B7' B8' B12' 36.73(10) . . . . ?
B11' B7' B12' B8' -138.51(12) . . . . ?
B11' B7' B12' B9' -100.67(12) . . . . ?
B11' B7' B12' B10' -37.72(11) . . . . ?
B11' B10' B12' B7' 38.07(11) . . . . ?
B11' B10' B12' B8' 100.76(12) . . . . ?
B11' B10' B12' B9' 137.66(12) . . . . ?
B12' B7' B8' B3' -144.72(11) . . . . ?
B12' B7' B8' B4' -101.16(11) . . . . ?
B12' B7' B8' B9' -37.89(10) . . . . ?
B12' B7' B11' C2' 133.48(12) . . . . ?
B12' B7' B11' B6' 101.34(13) . . . . ?
B12' B7' B11' B10' 38.48(11) . . . . ?
B12' B8' B9' B4' -137.93(13) . . . . ?
B12' B8' B9' B5' -101.20(13) . . . . ?
B12' B8' B9' B10' -37.40(11) . . . . ?
B12' B9' B10' B5' -138.11(11) . . . . ?
B12' B9' B10' B6' -100.61(12) . . . . ?
B12' B9' B10' B11' -37.20(10) . . . . ?
B12' B10' B11' C2' -98.01(12) . . . . ?
B12' B10' B11' B6' -139.05(12) . . . . ?
B12' B10' B11' B7' -38.14(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5269
_database_code_depnum_ccdc_archive 'CCDC 1418095'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H44 B20 O2 P2 Ru'
_chemical_formula_sum            'C32 H44 B20 O2 P2 Ru'
_chemical_formula_weight         839.88
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.704(3)
_cell_length_b                   12.184(3)
_cell_length_c                   16.339(4)
_cell_angle_alpha                104.475(7)
_cell_angle_beta                 106.328(6)
_cell_angle_gamma                98.443(7)
_cell_volume                     2105.1(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      30.117
_cell_measurement_theta_min      2.597
_shelx_estimated_absorpt_T_max   0.910
_shelx_estimated_absorpt_T_min   0.831
_exptl_absorpt_coefficient_mu    0.480
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0590 before and 0.0489 after correction.
The Ratio of minimum to maximum transmission is 0.9102.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47883
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.629
_diffrn_reflns_theta_min         2.550
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9985
_reflns_number_total             12386
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         12386
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0346
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+0.9728P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0830
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C100(H10A,H10B), C200(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C114(H114), C115(H115), C116(H116), C122(H122),
 C123(H123), C124(H124), C125(H125), C126(H126), C212(H212), C213(H213),
 C214(H214), C215(H215), C216(H216), C222(H222), C223(H223), C224(H224),
 C225(H225), C226(H226)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1' C 0.06041(15) 0.00210(15) 0.79512(12) 0.0142(3) Uani 1 1 d . . . . .
P1 P 0.41924(4) 0.15866(4) 0.69449(3) 0.01411(9) Uani 1 1 d . . . . .
Ru1 Ru 0.30969(2) 0.00411(2) 0.72915(2) 0.01164(4) Uani 1 1 d . . . . .
C2' C 0.00642(18) 0.02127(19) 0.69282(14) 0.0224(4) Uani 1 1 d . . . . .
H2' H -0.012(2) -0.059(2) 0.6287(15) 0.027 Uiso 1 1 d R . . . .
P2 P 0.45052(4) -0.10472(4) 0.68182(3) 0.01397(9) Uani 1 1 d . . . . .
B3' B 0.16393(18) 0.09042(17) 0.76044(13) 0.0123(4) Uani 1 1 d . . . . .
B4' B 0.1571(2) 0.13147(19) 0.87132(14) 0.0179(4) Uani 1 1 d . . . . .
H4' H 0.230(2) 0.1249(19) 0.9222(15) 0.021 Uiso 1 1 d R . . . .
B5' B 0.00421(19) 0.08520(19) 0.87209(14) 0.0178(4) Uani 1 1 d . . . . .
H5' H -0.007(2) 0.0544(19) 0.9239(15) 0.021 Uiso 1 1 d R . . . .
B6' B -0.09235(19) 0.01290(19) 0.75728(14) 0.0167(4) Uani 1 1 d . . . . .
H6' H -0.163(2) -0.0662(19) 0.7375(14) 0.020 Uiso 1 1 d R . . . .
B7' B 0.06492(19) 0.16447(18) 0.69858(14) 0.0163(4) Uani 1 1 d . . . . .
H7' H 0.0836(19) 0.1786(18) 0.6402(14) 0.020 Uiso 1 1 d R . . . .
B8' B 0.1587(2) 0.23592(19) 0.81226(15) 0.0186(4) Uani 1 1 d . . . . .
H8' H 0.241(2) 0.3008(19) 0.8334(14) 0.022 Uiso 1 1 d R . . . .
B9' B 0.0626(2) 0.2338(2) 0.88215(15) 0.0203(4) Uani 1 1 d . . . . .
H9' H 0.082(2) 0.3001(19) 0.9451(15) 0.024 Uiso 1 1 d R . . . .
B10' B -0.0918(2) 0.16048(19) 0.81103(15) 0.0198(4) Uani 1 1 d . . . . .
H10' H -0.168(2) 0.1849(19) 0.8310(15) 0.024 Uiso 1 1 d R . . . .
B11' B -0.09119(19) 0.11800(19) 0.69686(15) 0.0185(4) Uani 1 1 d . . . . .
H11' H -0.167(2) 0.1077(19) 0.6372(15) 0.022 Uiso 1 1 d R . . . .
B12' B 0.0035(2) 0.2551(2) 0.77397(15) 0.0210(4) Uani 1 1 d . . . . .
H12' H -0.010(2) 0.337(2) 0.7681(15) 0.025 Uiso 1 1 d R . . . .
C100 C 0.50225(17) 0.08710(16) 0.62162(12) 0.0169(4) Uani 1 1 d . . . . .
H10A H 0.4437 0.0443 0.5609 0.020 Uiso 1 1 calc R . . . .
H10B H 0.5643 0.1470 0.6162 0.020 Uiso 1 1 calc R . . . .
C101 C 0.42065(17) 0.05383(16) 0.85438(12) 0.0164(4) Uani 1 1 d . . . . .
O101 O 0.48669(13) 0.07897(13) 0.92688(9) 0.0266(3) Uani 1 1 d . . . . .
C102 C 0.19519(16) -0.03502(15) 0.60683(12) 0.0149(3) Uani 1 1 d . . . . .
O102 O 0.12930(13) -0.04726(13) 0.53606(9) 0.0250(3) Uani 1 1 d . . . . .
C111 C 0.33647(16) 0.24365(16) 0.62877(12) 0.0161(3) Uani 1 1 d . . . . .
C112 C 0.32348(18) 0.35489(17) 0.67249(14) 0.0209(4) Uani 1 1 d . . . . .
H112 H 0.3594 0.3870 0.7357 0.025 Uiso 1 1 calc R . . . .
C113 C 0.2575(2) 0.41829(19) 0.62258(15) 0.0290(5) Uani 1 1 d . . . . .
H113 H 0.2477 0.4920 0.6526 0.035 Uiso 1 1 calc R . . . .
C114 C 0.2062(2) 0.37299(19) 0.52862(15) 0.0280(5) Uani 1 1 d . . . . .
H114 H 0.1634 0.4166 0.4951 0.034 Uiso 1 1 calc R . . . .
C115 C 0.21886(18) 0.26257(19) 0.48481(14) 0.0231(4) Uani 1 1 d . . . . .
H115 H 0.1848 0.2318 0.4214 0.028 Uiso 1 1 calc R . . . .
C116 C 0.28161(17) 0.19740(18) 0.53425(13) 0.0194(4) Uani 1 1 d . . . . .
H116 H 0.2873 0.1219 0.5042 0.023 Uiso 1 1 calc R . . . .
C121 C 0.53937(17) 0.27288(16) 0.79017(13) 0.0175(4) Uani 1 1 d . . . . .
C122 C 0.51572(19) 0.31454(17) 0.87166(13) 0.0225(4) Uani 1 1 d . . . . .
H122 H 0.4396 0.2830 0.8766 0.027 Uiso 1 1 calc R . . . .
C123 C 0.6040(2) 0.40230(18) 0.94541(15) 0.0282(5) Uani 1 1 d . . . . .
H123 H 0.5871 0.4301 0.9995 0.034 Uiso 1 1 calc R . . . .
C124 C 0.7168(2) 0.44818(18) 0.93848(16) 0.0319(5) Uani 1 1 d . . . . .
H124 H 0.7770 0.5063 0.9883 0.038 Uiso 1 1 calc R . . . .
C125 C 0.7407(2) 0.40855(19) 0.85846(17) 0.0315(5) Uani 1 1 d . . . . .
H125 H 0.8169 0.4405 0.8540 0.038 Uiso 1 1 calc R . . . .
C126 C 0.65253(18) 0.32142(17) 0.78415(15) 0.0236(4) Uani 1 1 d . . . . .
H126 H 0.6696 0.2954 0.7299 0.028 Uiso 1 1 calc R . . . .
C200 C 0.56569(16) 0.00144(16) 0.66331(12) 0.0159(3) Uani 1 1 d . . . . .
H20A H 0.6306 0.0455 0.7211 0.019 Uiso 1 1 calc R . . . .
H20B H 0.6044 -0.0411 0.6227 0.019 Uiso 1 1 calc R . . . .
C211 C 0.39363(18) -0.22408(16) 0.57287(12) 0.0177(4) Uani 1 1 d . . . . .
C212 C 0.26798(19) -0.26652(17) 0.52217(14) 0.0257(4) Uani 1 1 d . . . . .
H212 H 0.2090 -0.2341 0.5437 0.031 Uiso 1 1 calc R . . . .
C213 C 0.2291(2) -0.35679(19) 0.43976(16) 0.0358(6) Uani 1 1 d . . . . .
H213 H 0.1446 -0.3823 0.4052 0.043 Uiso 1 1 calc R . . . .
C214 C 0.3143(2) -0.40905(19) 0.40863(15) 0.0333(5) Uani 1 1 d . . . . .
H214 H 0.2876 -0.4708 0.3538 0.040 Uiso 1 1 calc R . . . .
C215 C 0.4397(2) -0.36933(19) 0.45921(15) 0.0305(5) Uani 1 1 d . . . . .
H215 H 0.4980 -0.4045 0.4388 0.037 Uiso 1 1 calc R . . . .
C216 C 0.47859(19) -0.27744(18) 0.54012(14) 0.0236(4) Uani 1 1 d . . . . .
H216 H 0.5635 -0.2506 0.5735 0.028 Uiso 1 1 calc R . . . .
C221 C 0.54935(16) -0.17063(17) 0.75666(12) 0.0163(3) Uani 1 1 d . . . . .
C222 C 0.65012(17) -0.09824(18) 0.83180(12) 0.0192(4) Uani 1 1 d . . . . .
H222 H 0.6656 -0.0159 0.8446 0.023 Uiso 1 1 calc R . . . .
C223 C 0.72749(18) -0.14807(19) 0.88761(13) 0.0235(4) Uani 1 1 d . . . . .
H223 H 0.7960 -0.0991 0.9368 0.028 Uiso 1 1 calc R . . . .
C224 C 0.7042(2) -0.2692(2) 0.87103(14) 0.0274(5) Uani 1 1 d . . . . .
H224 H 0.7568 -0.3021 0.9087 0.033 Uiso 1 1 calc R . . . .
C225 C 0.6023(2) -0.34186(19) 0.79808(14) 0.0262(4) Uani 1 1 d . . . . .
H225 H 0.5851 -0.4238 0.7875 0.031 Uiso 1 1 calc R . . . .
C226 C 0.52583(18) -0.29291(17) 0.74062(13) 0.0201(4) Uani 1 1 d . . . . .
H226 H 0.4582 -0.3424 0.6909 0.024 Uiso 1 1 calc R . . . .
C1 C 0.08990(16) -0.11604(16) 0.79798(12) 0.0153(3) Uani 1 1 d . . . . .
C2 C 0.22227(17) -0.13715(16) 0.76953(13) 0.0182(4) Uani 1 1 d . . . . .
B3 B 0.07512(19) -0.2236(2) 0.69953(15) 0.0189(4) Uani 1 1 d . . . . .
H3 H 0.039(2) -0.2145(19) 0.6342(15) 0.023 Uiso 1 1 d R . . . .
B4 B -0.0189(2) -0.2468(2) 0.76730(15) 0.0203(4) Uani 1 1 d . . . . .
H4 H -0.118(2) -0.2483(19) 0.7433(15) 0.024 Uiso 1 1 d R . . . .
B5 B 0.0723(2) -0.1742(2) 0.88276(15) 0.0187(4) Uani 1 1 d . . . . .
H5 H 0.038(2) -0.1236(19) 0.9327(15) 0.022 Uiso 1 1 d R . . . .
B6 B 0.21799(19) -0.11166(19) 0.88141(14) 0.0154(4) Uani 1 1 d . . . . .
H6 H 0.2629(19) -0.0354(19) 0.9257(14) 0.019 Uiso 1 1 d R . . . .
B7 B 0.2015(2) -0.28941(19) 0.72691(15) 0.0200(4) Uani 1 1 d . . . . .
H7 H 0.241(2) -0.3165(19) 0.6746(15) 0.024 Uiso 1 1 d R . . . .
B8 B 0.0528(2) -0.3590(2) 0.72358(17) 0.0252(5) Uani 1 1 d . . . . .
H8 H 0.000(2) -0.435(2) 0.6717(16) 0.030 Uiso 1 1 d R . . . .
B9 B 0.0510(2) -0.3287(2) 0.83739(17) 0.0254(5) Uani 1 1 d . . . . .
H9 H -0.003(2) -0.385(2) 0.8589(16) 0.031 Uiso 1 1 d R . . . .
B10 B 0.2007(2) -0.2398(2) 0.91045(16) 0.0219(4) Uani 1 1 d . . . . .
H10 H 0.245(2) -0.2307(19) 0.9818(15) 0.026 Uiso 1 1 d R . . . .
B11 B 0.2925(2) -0.21624(19) 0.84138(15) 0.0179(4) Uani 1 1 d . . . . .
H11 H 0.393(2) -0.1922(18) 0.8678(14) 0.021 Uiso 1 1 d R . . . .
B12 B 0.1880(2) -0.3555(2) 0.81242(17) 0.0241(5) Uani 1 1 d . . . . .
H12 H 0.220(2) -0.434(2) 0.8147(15) 0.029 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1' C2' 1.701(3) . ?
C1' B3' 1.804(3) . ?
C1' B4' 1.737(3) . ?
C1' B5' 1.750(3) . ?
C1' B6' 1.756(3) . ?
C1' C1 1.537(3) . ?
P1 Ru1 2.3964(6) . ?
P1 C100 1.8714(19) . ?
P1 C111 1.8518(19) . ?
P1 C121 1.8600(19) . ?
Ru1 P2 2.4328(6) . ?
Ru1 B3' 2.242(2) . ?
Ru1 C101 1.9737(19) . ?
Ru1 C102 1.9615(19) . ?
Ru1 C2 2.2078(19) . ?
C2' H2' 1.18(2) . ?
C2' B3' 1.806(3) . ?
C2' B6' 1.777(3) . ?
C2' B7' 1.747(3) . ?
C2' B11' 1.760(3) . ?
P2 C200 1.8692(19) . ?
P2 C211 1.8661(19) . ?
P2 C221 1.8565(19) . ?
B3' B4' 1.783(3) . ?
B3' B7' 1.812(3) . ?
B3' B8' 1.782(3) . ?
B4' H4' 1.04(2) . ?
B4' B5' 1.800(3) . ?
B4' B8' 1.780(3) . ?
B4' B9' 1.792(3) . ?
B5' H5' 1.04(2) . ?
B5' B6' 1.806(3) . ?
B5' B9' 1.788(3) . ?
B5' B10' 1.797(3) . ?
B6' H6' 1.08(2) . ?
B6' B10' 1.791(3) . ?
B6' B11' 1.802(3) . ?
B7' H7' 1.08(2) . ?
B7' B8' 1.782(3) . ?
B7' B11' 1.822(3) . ?
B7' B12' 1.818(3) . ?
B8' H8' 1.06(2) . ?
B8' B9' 1.816(3) . ?
B8' B12' 1.818(3) . ?
B9' H9' 1.08(2) . ?
B9' B10' 1.800(3) . ?
B9' B12' 1.807(3) . ?
B10' H10' 1.08(2) . ?
B10' B11' 1.809(3) . ?
B10' B12' 1.814(3) . ?
B11' H11' 1.08(2) . ?
B11' B12' 1.796(3) . ?
B12' H12' 1.05(2) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C100 C200 1.550(3) . ?
C101 O101 1.153(2) . ?
C102 O102 1.154(2) . ?
C111 C112 1.417(3) . ?
C111 C116 1.420(3) . ?
C112 H112 0.9500 . ?
C112 C113 1.412(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.408(3) . ?
C114 H114 0.9500 . ?
C114 C115 1.407(3) . ?
C115 H115 0.9500 . ?
C115 C116 1.407(3) . ?
C116 H116 0.9500 . ?
C121 C122 1.420(3) . ?
C121 C126 1.409(3) . ?
C122 H122 0.9500 . ?
C122 C123 1.412(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.402(3) . ?
C124 H124 0.9500 . ?
C124 C125 1.397(4) . ?
C125 H125 0.9500 . ?
C125 C126 1.413(3) . ?
C126 H126 0.9500 . ?
C200 H20A 0.9900 . ?
C200 H20B 0.9900 . ?
C211 C212 1.412(3) . ?
C211 C216 1.419(3) . ?
C212 H212 0.9500 . ?
C212 C213 1.413(3) . ?
C213 H213 0.9500 . ?
C213 C214 1.403(4) . ?
C214 H214 0.9500 . ?
C214 C215 1.407(3) . ?
C215 H215 0.9500 . ?
C215 C216 1.407(3) . ?
C216 H216 0.9500 . ?
C221 C222 1.420(3) . ?
C221 C226 1.417(3) . ?
C222 H222 0.9500 . ?
C222 C223 1.412(3) . ?
C223 H223 0.9500 . ?
C223 C224 1.402(3) . ?
C224 H224 0.9500 . ?
C224 C225 1.410(3) . ?
C225 H225 0.9500 . ?
C225 C226 1.415(3) . ?
C226 H226 0.9500 . ?
C1 C2 1.773(3) . ?
C1 B3 1.749(3) . ?
C1 B4 1.749(3) . ?
C1 B5 1.753(3) . ?
C1 B6 1.703(3) . ?
C2 B3 1.772(3) . ?
C2 B6 1.792(3) . ?
C2 B7 1.764(3) . ?
C2 B11 1.799(3) . ?
B3 H3 1.07(2) . ?
B3 B4 1.808(3) . ?
B3 B7 1.786(3) . ?
B3 B8 1.789(3) . ?
B4 H4 1.11(2) . ?
B4 B5 1.799(3) . ?
B4 B8 1.808(3) . ?
B4 B9 1.806(3) . ?
B5 H5 1.10(2) . ?
B5 B6 1.772(3) . ?
B5 B9 1.792(3) . ?
B5 B10 1.804(3) . ?
B6 H6 0.98(2) . ?
B6 B10 1.742(3) . ?
B6 B11 1.744(3) . ?
B7 H7 1.09(2) . ?
B7 B8 1.800(3) . ?
B7 B11 1.787(3) . ?
B7 B12 1.809(3) . ?
B8 H8 1.05(2) . ?
B8 B9 1.810(4) . ?
B8 B12 1.809(4) . ?
B9 H9 1.06(2) . ?
B9 B10 1.813(4) . ?
B9 B12 1.816(3) . ?
B10 H10 1.10(2) . ?
B10 B11 1.806(3) . ?
B10 B12 1.803(3) . ?
B11 H11 1.10(2) . ?
B11 B12 1.806(3) . ?
B12 H12 1.08(2) . ?

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' B3' 61.96(11) . . ?
C2' C1' B4' 109.40(15) . . ?
C2' C1' B5' 111.06(14) . . ?
C2' C1' B6' 61.86(11) . . ?
B4' C1' B3' 60.42(11) . . ?
B4' C1' B5' 62.14(12) . . ?
B4' C1' B6' 112.52(14) . . ?
B5' C1' B3' 112.81(14) . . ?
B5' C1' B6' 62.00(12) . . ?
B6' C1' B3' 114.31(14) . . ?
C1 C1' C2' 117.60(14) . . ?
C1 C1' B3' 114.11(13) . . ?
C1 C1' B4' 120.79(15) . . ?
C1 C1' B5' 123.59(15) . . ?
C1 C1' B6' 120.26(15) . . ?
C100 P1 Ru1 105.45(6) . . ?
C111 P1 Ru1 120.82(6) . . ?
C111 P1 C100 103.24(8) . . ?
C111 P1 C121 103.37(9) . . ?
C121 P1 Ru1 116.79(7) . . ?
C121 P1 C100 105.48(9) . . ?
P1 Ru1 P2 84.43(2) . . ?
B3' Ru1 P1 98.25(5) . . ?
B3' Ru1 P2 173.90(5) . . ?
C101 Ru1 P1 92.84(6) . . ?
C101 Ru1 P2 90.11(5) . . ?
C101 Ru1 B3' 95.21(7) . . ?
C101 Ru1 C2 83.07(7) . . ?
C102 Ru1 P1 85.65(6) . . ?
C102 Ru1 P2 93.56(5) . . ?
C102 Ru1 B3' 81.22(7) . . ?
C102 Ru1 C101 175.87(7) . . ?
C102 Ru1 C2 98.56(7) . . ?
C2 Ru1 P1 175.48(5) . . ?
C2 Ru1 P2 93.63(5) . . ?
C2 Ru1 B3' 84.09(7) . . ?
C1' C2' H2' 118.0(11) . . ?
C1' C2' B3' 61.84(11) . . ?
C1' C2' B6' 60.61(11) . . ?
C1' C2' B7' 110.03(15) . . ?
C1' C2' B11' 109.49(15) . . ?
B3' C2' H2' 117.8(11) . . ?
B6' C2' H2' 117.3(12) . . ?
B6' C2' B3' 113.17(15) . . ?
B7' C2' H2' 122.5(11) . . ?
B7' C2' B3' 61.29(11) . . ?
B7' C2' B6' 112.59(15) . . ?
B7' C2' B11' 62.59(12) . . ?
B11' C2' H2' 121.9(11) . . ?
B11' C2' B3' 112.89(15) . . ?
B11' C2' B6' 61.26(12) . . ?
C200 P2 Ru1 106.26(6) . . ?
C211 P2 Ru1 119.55(6) . . ?
C211 P2 C200 102.29(9) . . ?
C221 P2 Ru1 121.80(6) . . ?
C221 P2 C200 102.17(8) . . ?
C221 P2 C211 101.92(9) . . ?
C1' B3' Ru1 112.95(11) . . ?
C1' B3' C2' 56.21(10) . . ?
C1' B3' B7' 102.76(13) . . ?
C2' B3' Ru1 118.00(12) . . ?
C2' B3' B7' 57.76(11) . . ?
B4' B3' C1' 57.93(11) . . ?
B4' B3' Ru1 121.13(12) . . ?
B4' B3' C2' 102.85(14) . . ?
B4' B3' B7' 106.29(14) . . ?
B7' B3' Ru1 130.65(12) . . ?
B8' B3' C1' 103.91(14) . . ?
B8' B3' Ru1 134.94(13) . . ?
B8' B3' C2' 103.58(14) . . ?
B8' B3' B4' 59.91(12) . . ?
B8' B3' B7' 59.46(12) . . ?
C1' B4' B3' 61.65(11) . . ?
C1' B4' H4' 117.2(12) . . ?
C1' B4' B5' 59.28(11) . . ?
C1' B4' B8' 106.81(15) . . ?
C1' B4' B9' 105.95(15) . . ?
B3' B4' H4' 117.5(12) . . ?
B3' B4' B5' 111.46(15) . . ?
B3' B4' B9' 110.31(15) . . ?
B5' B4' H4' 118.2(12) . . ?
B8' B4' B3' 60.01(12) . . ?
B8' B4' H4' 126.7(12) . . ?
B8' B4' B5' 109.17(15) . . ?
B8' B4' B9' 61.10(13) . . ?
B9' B4' H4' 126.3(12) . . ?
B9' B4' B5' 59.69(12) . . ?
C1' B5' B4' 58.58(11) . . ?
C1' B5' H5' 118.2(12) . . ?
C1' B5' B6' 59.16(11) . . ?
C1' B5' B9' 105.60(15) . . ?
C1' B5' B10' 105.60(15) . . ?
B4' B5' H5' 118.5(12) . . ?
B4' B5' B6' 107.34(14) . . ?
B6' B5' H5' 121.4(12) . . ?
B9' B5' B4' 59.94(12) . . ?
B9' B5' H5' 125.6(12) . . ?
B9' B5' B6' 107.84(15) . . ?
B9' B5' B10' 60.29(13) . . ?
B10' B5' B4' 107.78(16) . . ?
B10' B5' H5' 127.7(12) . . ?
B10' B5' B6' 59.62(12) . . ?
C1' B6' C2' 57.54(11) . . ?
C1' B6' B5' 58.84(11) . . ?
C1' B6' H6' 117.0(11) . . ?
C1' B6' B10' 105.59(14) . . ?
C1' B6' B11' 105.15(14) . . ?
C2' B6' B5' 105.11(14) . . ?
C2' B6' H6' 118.5(12) . . ?
C2' B6' B10' 105.90(15) . . ?
C2' B6' B11' 58.89(12) . . ?
B5' B6' H6' 122.8(11) . . ?
B10' B6' B5' 59.93(12) . . ?
B10' B6' H6' 129.8(11) . . ?
B10' B6' B11' 60.46(13) . . ?
B11' B6' B5' 107.88(15) . . ?
B11' B6' H6' 125.4(11) . . ?
C2' B7' B3' 60.96(11) . . ?
C2' B7' H7' 117.6(11) . . ?
C2' B7' B8' 106.01(15) . . ?
C2' B7' B11' 59.04(12) . . ?
C2' B7' B12' 105.37(15) . . ?
B3' B7' H7' 116.5(11) . . ?
B3' B7' B11' 109.75(15) . . ?
B3' B7' B12' 108.88(15) . . ?
B8' B7' B3' 59.43(12) . . ?
B8' B7' H7' 125.8(12) . . ?
B8' B7' B11' 107.81(15) . . ?
B8' B7' B12' 60.63(12) . . ?
B11' B7' H7' 121.4(11) . . ?
B12' B7' H7' 128.1(11) . . ?
B12' B7' B11' 59.12(12) . . ?
B3' B8' B7' 61.11(12) . . ?
B3' B8' H8' 116.5(12) . . ?
B3' B8' B9' 109.30(15) . . ?
B3' B8' B12' 110.25(15) . . ?
B4' B8' B3' 60.08(12) . . ?
B4' B8' B7' 107.70(15) . . ?
B4' B8' H8' 116.6(12) . . ?
B4' B8' B9' 59.79(13) . . ?
B4' B8' B12' 107.49(16) . . ?
B7' B8' H8' 125.0(12) . . ?
B7' B8' B9' 108.21(15) . . ?
B7' B8' B12' 60.65(12) . . ?
B9' B8' H8' 121.3(12) . . ?
B9' B8' B12' 59.65(13) . . ?
B12' B8' H8' 126.9(12) . . ?
B4' B9' B8' 59.11(12) . . ?
B4' B9' H9' 120.4(12) . . ?
B4' B9' B10' 107.97(15) . . ?
B4' B9' B12' 107.42(15) . . ?
B5' B9' B4' 60.37(12) . . ?
B5' B9' B8' 108.12(15) . . ?
B5' B9' H9' 119.2(12) . . ?
B5' B9' B10' 60.11(12) . . ?
B5' B9' B12' 108.51(15) . . ?
B8' B9' H9' 122.8(12) . . ?
B10' B9' B8' 108.44(15) . . ?
B10' B9' H9' 121.9(12) . . ?
B10' B9' B12' 60.38(13) . . ?
B12' B9' B8' 60.23(13) . . ?
B12' B9' H9' 124.0(12) . . ?
B5' B10' B9' 59.60(13) . . ?
B5' B10' H10' 119.8(12) . . ?
B5' B10' B11' 107.97(15) . . ?
B5' B10' B12' 107.80(15) . . ?
B6' B10' B5' 60.44(12) . . ?
B6' B10' B9' 107.95(15) . . ?
B6' B10' H10' 123.0(12) . . ?
B6' B10' B11' 60.08(12) . . ?
B6' B10' B12' 107.88(15) . . ?
B9' B10' H10' 119.4(12) . . ?
B9' B10' B11' 107.30(15) . . ?
B9' B10' B12' 60.00(13) . . ?
B11' B10' H10' 124.9(12) . . ?
B11' B10' B12' 59.42(13) . . ?
B12' B10' H10' 122.1(12) . . ?
C2' B11' B6' 59.85(12) . . ?
C2' B11' B7' 58.37(11) . . ?
C2' B11' B10' 105.86(15) . . ?
C2' B11' H11' 119.1(12) . . ?
C2' B11' B12' 105.80(15) . . ?
B6' B11' B7' 108.01(14) . . ?
B6' B11' B10' 59.46(12) . . ?
B6' B11' H11' 120.7(12) . . ?
B7' B11' H11' 119.3(12) . . ?
B10' B11' B7' 108.24(15) . . ?
B10' B11' H11' 126.4(12) . . ?
B12' B11' B6' 108.19(15) . . ?
B12' B11' B7' 60.33(12) . . ?
B12' B11' B10' 60.42(13) . . ?
B12' B11' H11' 125.1(12) . . ?
B7' B12' H12' 120.9(12) . . ?
B8' B12' B7' 58.71(12) . . ?
B8' B12' H12' 119.5(13) . . ?
B9' B12' B7' 107.04(15) . . ?
B9' B12' B8' 60.12(12) . . ?
B9' B12' B10' 59.62(13) . . ?
B9' B12' H12' 121.5(12) . . ?
B10' B12' B7' 108.20(15) . . ?
B10' B12' B8' 107.74(16) . . ?
B10' B12' H12' 124.0(13) . . ?
B11' B12' B7' 60.54(12) . . ?
B11' B12' B8' 107.41(15) . . ?
B11' B12' B9' 107.58(16) . . ?
B11' B12' B10' 60.16(12) . . ?
B11' B12' H12' 123.8(12) . . ?
P1 C100 H10A 109.8 . . ?
P1 C100 H10B 109.8 . . ?
H10A C100 H10B 108.2 . . ?
C200 C100 P1 109.42(12) . . ?
C200 C100 H10A 109.8 . . ?
C200 C100 H10B 109.8 . . ?
O101 C101 Ru1 177.46(16) . . ?
O102 C102 Ru1 173.76(15) . . ?
C112 C111 P1 120.38(14) . . ?
C112 C111 C116 118.73(17) . . ?
C116 C111 P1 120.85(14) . . ?
C111 C112 H112 119.8 . . ?
C113 C112 C111 120.36(19) . . ?
C113 C112 H112 119.8 . . ?
C112 C113 H113 119.8 . . ?
C114 C113 C112 120.46(19) . . ?
C114 C113 H113 119.8 . . ?
C113 C114 H114 120.3 . . ?
C115 C114 C113 119.43(19) . . ?
C115 C114 H114 120.3 . . ?
C114 C115 H115 119.8 . . ?
C116 C115 C114 120.49(19) . . ?
C116 C115 H115 119.8 . . ?
C111 C116 H116 119.8 . . ?
C115 C116 C111 120.49(18) . . ?
C115 C116 H116 119.8 . . ?
C122 C121 P1 119.09(15) . . ?
C126 C121 P1 122.25(15) . . ?
C126 C121 C122 118.65(18) . . ?
C121 C122 H122 119.6 . . ?
C123 C122 C121 120.7(2) . . ?
C123 C122 H122 119.6 . . ?
C122 C123 H123 120.2 . . ?
C124 C123 C122 119.7(2) . . ?
C124 C123 H123 120.2 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 C123 120.1(2) . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 119.7 . . ?
C124 C125 C126 120.6(2) . . ?
C126 C125 H125 119.7 . . ?
C121 C126 C125 120.2(2) . . ?
C121 C126 H126 119.9 . . ?
C125 C126 H126 119.9 . . ?
P2 C200 H20A 109.7 . . ?
P2 C200 H20B 109.7 . . ?
C100 C200 P2 109.85(12) . . ?
C100 C200 H20A 109.7 . . ?
C100 C200 H20B 109.7 . . ?
H20A C200 H20B 108.2 . . ?
C212 C211 P2 122.58(15) . . ?
C212 C211 C216 118.03(18) . . ?
C216 C211 P2 119.37(15) . . ?
C211 C212 H212 119.7 . . ?
C211 C212 C213 120.6(2) . . ?
C213 C212 H212 119.7 . . ?
C212 C213 H213 119.7 . . ?
C214 C213 C212 120.5(2) . . ?
C214 C213 H213 119.7 . . ?
C213 C214 H214 120.2 . . ?
C213 C214 C215 119.5(2) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 120.1 . . ?
C216 C215 C214 119.9(2) . . ?
C216 C215 H215 120.1 . . ?
C211 C216 H216 119.3 . . ?
C215 C216 C211 121.4(2) . . ?
C215 C216 H216 119.3 . . ?
C222 C221 P2 120.02(14) . . ?
C226 C221 P2 121.16(14) . . ?
C226 C221 C222 118.82(17) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 C221 120.27(19) . . ?
C223 C222 H222 119.9 . . ?
C222 C223 H223 119.7 . . ?
C224 C223 C222 120.61(19) . . ?
C224 C223 H223 119.7 . . ?
C223 C224 H224 120.2 . . ?
C223 C224 C225 119.67(19) . . ?
C225 C224 H224 120.2 . . ?
C224 C225 H225 119.9 . . ?
C224 C225 C226 120.1(2) . . ?
C226 C225 H225 119.9 . . ?
C221 C226 H226 119.8 . . ?
C225 C226 C221 120.48(19) . . ?
C225 C226 H226 119.8 . . ?
C1' C1 C2 113.43(14) . . ?
C1' C1 B3 120.78(15) . . ?
C1' C1 B4 125.08(15) . . ?
C1' C1 B5 120.83(15) . . ?
C1' C1 B6 116.21(15) . . ?
B3 C1 C2 60.42(11) . . ?
B3 C1 B5 112.62(15) . . ?
B4 C1 C2 112.40(14) . . ?
B4 C1 B3 62.26(12) . . ?
B4 C1 B5 61.83(12) . . ?
B5 C1 C2 113.75(14) . . ?
B6 C1 C2 62.04(11) . . ?
B6 C1 B3 110.04(14) . . ?
B6 C1 B4 111.03(15) . . ?
B6 C1 B5 61.67(12) . . ?
C1 C2 Ru1 115.33(11) . . ?
C1 C2 B6 57.05(10) . . ?
C1 C2 B11 104.23(13) . . ?
B3 C2 Ru1 119.03(12) . . ?
B3 C2 C1 59.10(11) . . ?
B3 C2 B6 105.00(14) . . ?
B3 C2 B11 108.16(15) . . ?
B6 C2 Ru1 120.81(12) . . ?
B6 C2 B11 58.09(11) . . ?
B7 C2 Ru1 129.80(13) . . ?
B7 C2 C1 105.74(14) . . ?
B7 C2 B3 60.65(12) . . ?
B7 C2 B6 105.08(14) . . ?
B7 C2 B11 60.19(12) . . ?
B11 C2 Ru1 129.08(12) . . ?
C1 B3 C2 60.48(11) . . ?
C1 B3 H3 122.9(12) . . ?
C1 B3 B4 58.87(12) . . ?
C1 B3 B7 105.88(15) . . ?
C1 B3 B8 105.74(15) . . ?
C2 B3 H3 118.2(12) . . ?
C2 B3 B4 109.67(15) . . ?
C2 B3 B7 59.45(12) . . ?
C2 B3 B8 108.73(15) . . ?
B4 B3 H3 122.7(12) . . ?
B7 B3 H3 121.5(12) . . ?
B7 B3 B4 108.84(16) . . ?
B7 B3 B8 60.49(13) . . ?
B8 B3 H3 124.0(12) . . ?
B8 B3 B4 60.36(13) . . ?
C1 B4 B3 58.87(12) . . ?
C1 B4 H4 119.8(12) . . ?
C1 B4 B5 59.20(12) . . ?
C1 B4 B8 104.92(15) . . ?
C1 B4 B9 105.30(15) . . ?
B3 B4 H4 120.3(12) . . ?
B3 B4 B8 59.30(13) . . ?
B5 B4 B3 107.75(15) . . ?
B5 B4 H4 120.5(11) . . ?
B5 B4 B8 107.59(16) . . ?
B5 B4 B9 59.64(13) . . ?
B8 B4 H4 125.8(12) . . ?
B9 B4 B3 107.44(16) . . ?
B9 B4 H4 126.0(12) . . ?
B9 B4 B8 60.10(14) . . ?
C1 B5 B4 58.96(12) . . ?
C1 B5 H5 117.4(12) . . ?
C1 B5 B6 57.77(11) . . ?
C1 B5 B9 105.68(15) . . ?
C1 B5 B10 104.89(14) . . ?
B4 B5 H5 124.0(11) . . ?
B4 B5 B10 108.42(16) . . ?
B6 B5 B4 105.64(14) . . ?
B6 B5 H5 117.1(12) . . ?
B6 B5 B9 105.67(15) . . ?
B6 B5 B10 58.31(12) . . ?
B9 B5 B4 60.36(13) . . ?
B9 B5 H5 130.5(12) . . ?
B9 B5 B10 60.54(13) . . ?
B10 B5 H5 124.0(11) . . ?
C1 B6 C2 60.91(11) . . ?
C1 B6 B5 60.56(12) . . ?
C1 B6 H6 117.8(12) . . ?
C1 B6 B10 109.88(16) . . ?
C1 B6 B11 109.79(15) . . ?
C2 B6 H6 117.9(13) . . ?
B5 B6 C2 111.91(15) . . ?
B5 B6 H6 118.1(13) . . ?
B10 B6 C2 112.15(15) . . ?
B10 B6 B5 61.77(13) . . ?
B10 B6 H6 122.5(13) . . ?
B10 B6 B11 62.40(13) . . ?
B11 B6 C2 61.15(11) . . ?
B11 B6 B5 112.61(16) . . ?
B11 B6 H6 122.3(12) . . ?
C2 B7 B3 59.90(12) . . ?
C2 B7 H7 114.3(12) . . ?
C2 B7 B8 108.58(15) . . ?
C2 B7 B11 60.88(12) . . ?
C2 B7 B12 109.38(15) . . ?
B3 B7 H7 116.3(12) . . ?
B3 B7 B8 59.86(13) . . ?
B3 B7 B11 108.10(15) . . ?
B3 B7 B12 108.08(16) . . ?
B8 B7 H7 124.4(12) . . ?
B8 B7 B12 60.13(14) . . ?
B11 B7 H7 122.7(12) . . ?
B11 B7 B8 108.30(16) . . ?
B11 B7 B12 60.27(13) . . ?
B12 B7 H7 128.7(12) . . ?
B3 B8 B4 60.34(13) . . ?
B3 B8 B7 59.66(13) . . ?
B3 B8 H8 119.4(13) . . ?
B3 B8 B9 108.08(16) . . ?
B3 B8 B12 107.96(16) . . ?
B4 B8 H8 120.9(13) . . ?
B4 B8 B9 59.88(13) . . ?
B4 B8 B12 108.26(17) . . ?
B7 B8 B4 108.17(16) . . ?
B7 B8 H8 120.8(13) . . ?
B7 B8 B9 108.28(17) . . ?
B7 B8 B12 60.18(13) . . ?
B9 B8 H8 123.5(13) . . ?
B12 B8 H8 123.4(13) . . ?
B12 B8 B9 60.26(14) . . ?
B4 B9 B8 60.02(13) . . ?
B4 B9 H9 120.3(13) . . ?
B4 B9 B10 107.74(16) . . ?
B4 B9 B12 108.04(16) . . ?
B5 B9 B4 60.00(13) . . ?
B5 B9 B8 107.82(16) . . ?
B5 B9 H9 119.0(13) . . ?
B5 B9 B10 60.05(13) . . ?
B5 B9 B12 107.95(16) . . ?
B8 B9 H9 123.9(13) . . ?
B8 B9 B10 107.19(16) . . ?
B8 B9 B12 59.84(14) . . ?
B10 B9 H9 121.8(13) . . ?
B10 B9 B12 59.56(13) . . ?
B12 B9 H9 124.3(13) . . ?
B5 B10 B9 59.41(13) . . ?
B5 B10 H10 117.1(12) . . ?
B5 B10 B11 108.23(15) . . ?
B6 B10 B5 59.91(12) . . ?
B6 B10 B9 106.03(16) . . ?
B6 B10 H10 115.8(12) . . ?
B6 B10 B11 58.84(12) . . ?
B6 B10 B12 105.99(16) . . ?
B9 B10 H10 127.1(12) . . ?
B11 B10 B9 108.06(17) . . ?
B11 B10 H10 120.6(12) . . ?
B12 B10 B5 108.04(16) . . ?
B12 B10 B9 60.31(14) . . ?
B12 B10 H10 129.2(12) . . ?
B12 B10 B11 60.05(13) . . ?
C2 B11 B10 108.89(15) . . ?
C2 B11 H11 115.5(12) . . ?
C2 B11 B12 107.99(15) . . ?
B6 B11 C2 60.76(11) . . ?
B6 B11 B7 106.16(15) . . ?
B6 B11 B10 58.76(12) . . ?
B6 B11 H11 116.3(11) . . ?
B6 B11 B12 105.79(15) . . ?
B7 B11 C2 58.93(12) . . ?
B7 B11 B10 108.17(16) . . ?
B7 B11 H11 125.5(11) . . ?
B7 B11 B12 60.47(13) . . ?
B10 B11 H11 122.3(11) . . ?
B12 B11 B10 59.88(13) . . ?
B12 B11 H11 129.9(11) . . ?
B7 B12 B9 107.61(16) . . ?
B7 B12 H12 119.9(13) . . ?
B8 B12 B7 59.69(13) . . ?
B8 B12 B9 59.90(14) . . ?
B8 B12 H12 120.9(13) . . ?
B9 B12 H12 123.3(13) . . ?
B10 B12 B7 107.36(16) . . ?
B10 B12 B8 107.69(16) . . ?
B10 B12 B9 60.13(13) . . ?
B10 B12 B11 60.07(13) . . ?
B10 B12 H12 124.0(12) . . ?
B11 B12 B7 59.26(13) . . ?
B11 B12 B8 107.14(16) . . ?
B11 B12 B9 107.95(16) . . ?
B11 B12 H12 121.7(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
C1' C2' B3' Ru1 100.11(13) . . . . ?
C1' C2' B3' B4' -36.10(13) . . . . ?
C1' C2' B3' B7' -137.42(15) . . . . ?
C1' C2' B3' B8' -97.81(14) . . . . ?
C1' C2' B6' B5' 36.19(13) . . . . ?
C1' C2' B6' B10' 98.63(15) . . . . ?
C1' C2' B6' B11' 138.22(15) . . . . ?
C1' C2' B7' B3' 39.42(13) . . . . ?
C1' C2' B7' B8' -0.71(19) . . . . ?
C1' C2' B7' B11' -102.18(16) . . . . ?
C1' C2' B7' B12' -63.96(17) . . . . ?
C1' C2' B11' B6' -38.01(14) . . . . ?
C1' C2' B11' B7' 103.05(16) . . . . ?
C1' C2' B11' B10' 1.10(19) . . . . ?
C1' C2' B11' B12' 64.16(18) . . . . ?
C1' B3' B4' B5' -33.30(14) . . . . ?
C1' B3' B4' B8' -133.70(14) . . . . ?
C1' B3' B4' B9' -97.66(16) . . . . ?
C1' B3' B7' C2' -35.21(12) . . . . ?
C1' B3' B7' B8' 98.78(14) . . . . ?
C1' B3' B7' B11' -0.74(18) . . . . ?
C1' B3' B7' B12' 62.29(17) . . . . ?
C1' B3' B8' B4' 39.13(13) . . . . ?
C1' B3' B8' B7' -96.78(14) . . . . ?
C1' B3' B8' B9' 3.88(18) . . . . ?
C1' B3' B8' B12' -59.92(18) . . . . ?
C1' B4' B5' B6' -34.90(14) . . . . ?
C1' B4' B5' B9' -135.86(16) . . . . ?
C1' B4' B5' B10' -97.76(16) . . . . ?
C1' B4' B8' B3' -41.65(13) . . . . ?
C1' B4' B8' B7' -1.90(19) . . . . ?
C1' B4' B8' B9' 99.27(15) . . . . ?
C1' B4' B8' B12' 62.07(18) . . . . ?
C1' B4' B9' B5' 38.51(14) . . . . ?
C1' B4' B9' B8' -100.71(16) . . . . ?
C1' B4' B9' B10' 0.4(2) . . . . ?
C1' B4' B9' B12' -63.28(18) . . . . ?
C1' B5' B6' C2' -35.60(13) . . . . ?
C1' B5' B6' B10' -135.48(16) . . . . ?
C1' B5' B6' B11' -97.23(15) . . . . ?
C1' B5' B9' B4' -38.10(13) . . . . ?
C1' B5' B9' B8' -1.96(19) . . . . ?
C1' B5' B9' B10' 99.33(15) . . . . ?
C1' B5' B9' B12' 61.85(18) . . . . ?
C1' B5' B10' B6' 38.68(14) . . . . ?
C1' B5' B10' B9' -99.33(16) . . . . ?
C1' B5' B10' B11' 0.58(19) . . . . ?
C1' B5' B10' B12' -62.19(18) . . . . ?
C1' B6' B10' B5' -38.53(14) . . . . ?
C1' B6' B10' B9' -1.2(2) . . . . ?
C1' B6' B10' B11' 98.84(15) . . . . ?
C1' B6' B10' B12' 62.21(18) . . . . ?
C1' B6' B11' C2' 35.62(13) . . . . ?
C1' B6' B11' B7' 1.38(18) . . . . ?
C1' B6' B11' B10' -99.59(15) . . . . ?
C1' B6' B11' B12' -62.46(17) . . . . ?
C1' C1 C2 Ru1 -3.26(18) . . . . ?
C1' C1 C2 B3 -113.28(16) . . . . ?
C1' C1 C2 B6 108.36(17) . . . . ?
C1' C1 C2 B7 -153.63(15) . . . . ?
C1' C1 C2 B11 143.85(15) . . . . ?
C1' C1 B3 C2 101.19(17) . . . . ?
C1' C1 B3 B4 -116.27(18) . . . . ?
C1' C1 B3 B7 140.99(16) . . . . ?
C1' C1 B3 B8 -155.87(16) . . . . ?
C1' C1 B4 B3 109.70(19) . . . . ?
C1' C1 B4 B5 -109.54(19) . . . . ?
C1' C1 B4 B8 148.62(17) . . . . ?
C1' C1 B4 B9 -148.90(17) . . . . ?
C1' C1 B5 B4 116.08(18) . . . . ?
C1' C1 B5 B6 -105.22(18) . . . . ?
C1' C1 B5 B9 155.88(16) . . . . ?
C1' C1 B5 B10 -141.12(16) . . . . ?
C1' C1 B6 C2 -103.91(16) . . . . ?
C1' C1 B6 B5 112.56(17) . . . . ?
C1' C1 B6 B10 151.16(16) . . . . ?
C1' C1 B6 B11 -142.01(16) . . . . ?
P1 C100 C200 P2 55.05(15) . . . . ?
P1 C111 C112 C113 -178.27(16) . . . . ?
P1 C111 C116 C115 180.00(15) . . . . ?
P1 C121 C122 C123 -179.17(15) . . . . ?
P1 C121 C126 C125 179.59(15) . . . . ?
Ru1 P1 C100 C200 -46.31(13) . . . . ?
Ru1 P1 C111 C112 99.93(15) . . . . ?
Ru1 P1 C111 C116 -78.07(16) . . . . ?
Ru1 P1 C121 C122 -41.24(16) . . . . ?
Ru1 P1 C121 C126 140.04(14) . . . . ?
Ru1 P2 C200 C100 -37.38(13) . . . . ?
Ru1 P2 C211 C212 -9.78(19) . . . . ?
Ru1 P2 C211 C216 172.12(13) . . . . ?
Ru1 P2 C221 C222 -71.55(16) . . . . ?
Ru1 P2 C221 C226 108.08(15) . . . . ?
Ru1 B3' B4' C1' -99.15(14) . . . . ?
Ru1 B3' B4' B5' -132.45(14) . . . . ?
Ru1 B3' B4' B8' 127.14(15) . . . . ?
Ru1 B3' B4' B9' 163.19(12) . . . . ?
Ru1 B3' B7' C2' 100.95(17) . . . . ?
Ru1 B3' B7' B8' -125.07(18) . . . . ?
Ru1 B3' B7' B11' 135.42(15) . . . . ?
Ru1 B3' B7' B12' -161.55(14) . . . . ?
Ru1 B3' B8' B4' -105.42(18) . . . . ?
Ru1 B3' B8' B7' 118.67(18) . . . . ?
Ru1 B3' B8' B9' -140.67(15) . . . . ?
Ru1 B3' B8' B12' 155.53(14) . . . . ?
Ru1 C2 B3 C1 -103.78(13) . . . . ?
Ru1 C2 B3 B4 -137.35(13) . . . . ?
Ru1 C2 B3 B7 121.86(15) . . . . ?
Ru1 C2 B3 B8 158.33(13) . . . . ?
Ru1 C2 B6 C1 101.95(14) . . . . ?
Ru1 C2 B6 B5 135.87(13) . . . . ?
Ru1 C2 B6 B10 -156.88(13) . . . . ?
Ru1 C2 B6 B11 -119.56(15) . . . . ?
Ru1 C2 B7 B3 -104.83(17) . . . . ?
Ru1 C2 B7 B8 -141.01(15) . . . . ?
Ru1 C2 B7 B11 117.93(17) . . . . ?
Ru1 C2 B7 B12 155.01(14) . . . . ?
Ru1 C2 B11 B6 105.76(16) . . . . ?
Ru1 C2 B11 B7 -119.02(17) . . . . ?
Ru1 C2 B11 B10 140.69(15) . . . . ?
Ru1 C2 B11 B12 -155.83(13) . . . . ?
C2' C1' B3' Ru1 -109.27(13) . . . . ?
C2' C1' B3' B4' 137.32(15) . . . . ?
C2' C1' B3' B7' 35.93(13) . . . . ?
C2' C1' B3' B8' 97.20(15) . . . . ?
C2' C1' B4' B3' -39.37(13) . . . . ?
C2' C1' B4' B5' 104.16(15) . . . . ?
C2' C1' B4' B8' 1.48(18) . . . . ?
C2' C1' B4' B9' 65.46(17) . . . . ?
C2' C1' B5' B4' -101.49(16) . . . . ?
C2' C1' B5' B6' 39.01(14) . . . . ?
C2' C1' B5' B9' -62.74(18) . . . . ?
C2' C1' B5' B10' 0.10(19) . . . . ?
C2' C1' B6' B5' -138.23(16) . . . . ?
C2' C1' B6' B10' -99.18(16) . . . . ?
C2' C1' B6' B11' -36.23(14) . . . . ?
C2' C1' C1 C2 71.41(19) . . . . ?
C2' C1' C1 B3 3.0(2) . . . . ?
C2' C1' C1 B4 -72.9(2) . . . . ?
C2' C1' C1 B5 -148.26(16) . . . . ?
C2' C1' C1 B6 140.54(15) . . . . ?
C2' B3' B4' C1' 35.30(12) . . . . ?
C2' B3' B4' B5' 2.00(19) . . . . ?
C2' B3' B4' B8' -98.41(14) . . . . ?
C2' B3' B4' B9' -62.36(18) . . . . ?
C2' B3' B7' B8' 133.99(15) . . . . ?
C2' B3' B7' B11' 34.47(14) . . . . ?
C2' B3' B7' B12' 97.50(16) . . . . ?
C2' B3' B8' B4' 97.15(15) . . . . ?
C2' B3' B8' B7' -38.76(13) . . . . ?
C2' B3' B8' B9' 61.90(17) . . . . ?
C2' B3' B8' B12' -1.90(19) . . . . ?
C2' B6' B10' B5' -98.53(15) . . . . ?
C2' B6' B10' B9' -61.19(19) . . . . ?
C2' B6' B10' B11' 38.84(13) . . . . ?
C2' B6' B10' B12' 2.21(19) . . . . ?
C2' B6' B11' B7' -34.24(14) . . . . ?
C2' B6' B11' B10' -135.21(15) . . . . ?
C2' B6' B11' B12' -98.08(16) . . . . ?
C2' B7' B8' B3' 40.88(13) . . . . ?
C2' B7' B8' B4' 1.61(19) . . . . ?
C2' B7' B8' B9' -61.58(18) . . . . ?
C2' B7' B8' B12' -98.91(16) . . . . ?
C2' B7' B11' B6' 34.85(14) . . . . ?
C2' B7' B11' B10' 97.76(16) . . . . ?
C2' B7' B11' B12' 135.96(16) . . . . ?
C2' B7' B12' B8' 100.00(16) . . . . ?
C2' B7' B12' B9' 62.74(18) . . . . ?
C2' B7' B12' B10' -0.12(19) . . . . ?
C2' B7' B12' B11' -38.19(14) . . . . ?
C2' B11' B12' B7' 37.96(14) . . . . ?
C2' B11' B12' B8' 1.3(2) . . . . ?
C2' B11' B12' B9' -62.06(18) . . . . ?
C2' B11' B12' B10' -99.56(16) . . . . ?
P2 C211 C212 C213 179.73(17) . . . . ?
P2 C211 C216 C215 178.71(16) . . . . ?
P2 C221 C222 C223 -178.35(14) . . . . ?
P2 C221 C226 C225 179.73(15) . . . . ?
B3' C1' C2' B6' -144.47(15) . . . . ?
B3' C1' C2' B7' -39.17(13) . . . . ?
B3' C1' C2' B11' -106.17(16) . . . . ?
B3' C1' B4' B5' 143.53(15) . . . . ?
B3' C1' B4' B8' 40.85(13) . . . . ?
B3' C1' B4' B9' 104.83(16) . . . . ?
B3' C1' B5' B4' -34.11(14) . . . . ?
B3' C1' B5' B6' 106.39(15) . . . . ?
B3' C1' B5' B9' 4.64(19) . . . . ?
B3' C1' B5' B10' 67.48(17) . . . . ?
B3' C1' B6' C2' 34.25(14) . . . . ?
B3' C1' B6' B5' -103.98(15) . . . . ?
B3' C1' B6' B10' -64.93(18) . . . . ?
B3' C1' B6' B11' -1.98(19) . . . . ?
B3' C1' C1 C2 1.73(19) . . . . ?
B3' C1' C1 B3 -66.67(19) . . . . ?
B3' C1' C1 B4 -142.56(16) . . . . ?
B3' C1' C1 B5 142.06(15) . . . . ?
B3' C1' C1 B6 70.86(18) . . . . ?
B3' C2' B6' C1' -33.87(14) . . . . ?
B3' C2' B6' B5' 2.3(2) . . . . ?
B3' C2' B6' B10' 64.76(18) . . . . ?
B3' C2' B6' B11' 104.35(16) . . . . ?
B3' C2' B7' B8' -40.13(13) . . . . ?
B3' C2' B7' B11' -141.60(15) . . . . ?
B3' C2' B7' B12' -103.37(15) . . . . ?
B3' C2' B11' B6' -104.81(16) . . . . ?
B3' C2' B11' B7' 36.25(14) . . . . ?
B3' C2' B11' B10' -65.70(18) . . . . ?
B3' C2' B11' B12' -2.6(2) . . . . ?
B3' B4' B5' C1' 34.20(14) . . . . ?
B3' B4' B5' B6' -0.7(2) . . . . ?
B3' B4' B5' B9' -101.66(17) . . . . ?
B3' B4' B5' B10' -63.56(19) . . . . ?
B3' B4' B8' B7' 39.75(14) . . . . ?
B3' B4' B8' B9' 140.92(15) . . . . ?
B3' B4' B8' B12' 103.73(16) . . . . ?
B3' B4' B9' B5' 103.62(17) . . . . ?
B3' B4' B9' B8' -35.60(14) . . . . ?
B3' B4' B9' B10' 65.6(2) . . . . ?
B3' B4' B9' B12' 1.8(2) . . . . ?
B3' B7' B8' B4' -39.27(14) . . . . ?
B3' B7' B8' B9' -102.46(16) . . . . ?
B3' B7' B8' B12' -139.79(16) . . . . ?
B3' B7' B11' C2' -35.24(14) . . . . ?
B3' B7' B11' B6' -0.39(19) . . . . ?
B3' B7' B11' B10' 62.52(18) . . . . ?
B3' B7' B11' B12' 100.72(16) . . . . ?
B3' B7' B12' B8' 35.98(14) . . . . ?
B3' B7' B12' B9' -1.3(2) . . . . ?
B3' B7' B12' B10' -64.14(18) . . . . ?
B3' B7' B12' B11' -102.21(16) . . . . ?
B3' B8' B9' B4' 35.37(14) . . . . ?
B3' B8' B9' B5' -1.3(2) . . . . ?
B3' B8' B9' B10' -64.97(19) . . . . ?
B3' B8' B9' B12' -102.70(16) . . . . ?
B3' B8' B12' B7' -37.05(15) . . . . ?
B3' B8' B12' B9' 101.08(17) . . . . ?
B3' B8' B12' B10' 63.87(19) . . . . ?
B3' B8' B12' B11' 0.4(2) . . . . ?
B4' C1' C2' B3' 38.69(13) . . . . ?
B4' C1' C2' B6' -105.79(15) . . . . ?
B4' C1' C2' B7' -0.49(19) . . . . ?
B4' C1' C2' B11' -67.49(18) . . . . ?
B4' C1' B3' Ru1 113.41(13) . . . . ?
B4' C1' B3' C2' -137.32(15) . . . . ?
B4' C1' B3' B7' -101.39(15) . . . . ?
B4' C1' B3' B8' -40.12(13) . . . . ?
B4' C1' B5' B6' 140.50(15) . . . . ?
B4' C1' B5' B9' 38.74(14) . . . . ?
B4' C1' B5' B10' 101.59(16) . . . . ?
B4' C1' B6' C2' 100.73(16) . . . . ?
B4' C1' B6' B5' -37.50(14) . . . . ?
B4' C1' B6' B10' 1.55(19) . . . . ?
B4' C1' B6' B11' 64.50(18) . . . . ?
B4' C1' C1 C2 -67.00(19) . . . . ?
B4' C1' C1 B3 -135.40(16) . . . . ?
B4' C1' C1 B4 148.71(17) . . . . ?
B4' C1' C1 B5 73.3(2) . . . . ?
B4' C1' C1 B6 2.1(2) . . . . ?
B4' B3' B7' C2' -95.14(15) . . . . ?
B4' B3' B7' B8' 38.84(14) . . . . ?
B4' B3' B7' B11' -60.67(18) . . . . ?
B4' B3' B7' B12' 2.36(19) . . . . ?
B4' B3' B8' B7' -135.91(15) . . . . ?
B4' B3' B8' B9' -35.25(14) . . . . ?
B4' B3' B8' B12' -99.06(17) . . . . ?
B4' B5' B6' C1' 34.66(14) . . . . ?
B4' B5' B6' C2' -0.94(19) . . . . ?
B4' B5' B6' B10' -100.82(17) . . . . ?
B4' B5' B6' B11' -62.57(18) . . . . ?
B4' B5' B9' B8' 36.14(14) . . . . ?
B4' B5' B9' B10' 137.43(16) . . . . ?
B4' B5' B9' B12' 99.95(16) . . . . ?
B4' B5' B10' B6' 100.07(16) . . . . ?
B4' B5' B10' B9' -37.94(14) . . . . ?
B4' B5' B10' B11' 61.96(19) . . . . ?
B4' B5' B10' B12' -0.81(19) . . . . ?
B4' B8' B9' B5' -36.68(15) . . . . ?
B4' B8' B9' B10' -100.34(17) . . . . ?
B4' B8' B9' B12' -138.07(16) . . . . ?
B4' B8' B12' B7' -100.87(16) . . . . ?
B4' B8' B12' B9' 37.26(15) . . . . ?
B4' B8' B12' B10' 0.0(2) . . . . ?
B4' B8' B12' B11' -63.39(19) . . . . ?
B4' B9' B10' B5' 38.18(14) . . . . ?
B4' B9' B10' B6' 0.5(2) . . . . ?
B4' B9' B10' B11' -62.89(19) . . . . ?
B4' B9' B10' B12' -100.23(16) . . . . ?
B4' B9' B12' B7' -0.3(2) . . . . ?
B4' B9' B12' B8' -36.94(15) . . . . ?
B4' B9' B12' B10' 101.17(16) . . . . ?
B4' B9' B12' B11' 63.42(19) . . . . ?
B5' C1' C2' B3' 105.40(15) . . . . ?
B5' C1' C2' B6' -39.07(14) . . . . ?
B5' C1' C2' B7' 66.23(18) . . . . ?
B5' C1' C2' B11' -0.8(2) . . . . ?
B5' C1' B3' Ru1 148.16(12) . . . . ?
B5' C1' B3' C2' -102.57(16) . . . . ?
B5' C1' B3' B4' 34.75(14) . . . . ?
B5' C1' B3' B7' -66.64(17) . . . . ?
B5' C1' B3' B8' -5.37(18) . . . . ?
B5' C1' B4' B3' -143.53(15) . . . . ?
B5' C1' B4' B8' -102.68(16) . . . . ?
B5' C1' B4' B9' -38.70(14) . . . . ?
B5' C1' B6' C2' 138.23(16) . . . . ?
B5' C1' B6' B10' 39.05(14) . . . . ?
B5' C1' B6' B11' 102.00(16) . . . . ?
B5' C1' C1 C2 -142.09(15) . . . . ?
B5' C1' C1 B3 149.51(16) . . . . ?
B5' C1' C1 B4 73.6(2) . . . . ?
B5' C1' C1 B5 -1.8(2) . . . . ?
B5' C1' C1 B6 -73.0(2) . . . . ?
B5' B4' B8' B3' -104.27(16) . . . . ?
B5' B4' B8' B7' -64.52(18) . . . . ?
B5' B4' B8' B9' 36.65(14) . . . . ?
B5' B4' B8' B12' -0.5(2) . . . . ?
B5' B4' B9' B8' -139.23(16) . . . . ?
B5' B4' B9' B10' -38.07(15) . . . . ?
B5' B4' B9' B12' -101.79(16) . . . . ?
B5' B6' B10' B9' 37.34(15) . . . . ?
B5' B6' B10' B11' 137.37(15) . . . . ?
B5' B6' B10' B12' 100.74(16) . . . . ?
B5' B6' B11' C2' 97.20(15) . . . . ?
B5' B6' B11' B7' 62.95(18) . . . . ?
B5' B6' B11' B10' -38.02(14) . . . . ?
B5' B6' B11' B12' -0.88(19) . . . . ?
B5' B9' B10' B6' -37.71(15) . . . . ?
B5' B9' B10' B11' -101.07(16) . . . . ?
B5' B9' B10' B12' -138.41(15) . . . . ?
B5' B9' B12' B7' -64.12(19) . . . . ?
B5' B9' B12' B8' -100.74(16) . . . . ?
B5' B9' B12' B10' 37.36(14) . . . . ?
B5' B9' B12' B11' -0.4(2) . . . . ?
B5' B10' B11' C2' -1.0(2) . . . . ?
B5' B10' B11' B6' 38.27(14) . . . . ?
B5' B10' B11' B7' -62.31(19) . . . . ?
B5' B10' B11' B12' -100.47(17) . . . . ?
B5' B10' B12' B7' 62.52(19) . . . . ?
B5' B10' B12' B8' 0.5(2) . . . . ?
B5' B10' B12' B9' -36.96(14) . . . . ?
B5' B10' B12' B11' 100.76(16) . . . . ?
B6' C1' C2' B3' 144.47(15) . . . . ?
B6' C1' C2' B7' 105.30(16) . . . . ?
B6' C1' C2' B11' 38.30(14) . . . . ?
B6' C1' B3' Ru1 -143.48(12) . . . . ?
B6' C1' B3' C2' -34.21(14) . . . . ?
B6' C1' B3' B4' 103.11(16) . . . . ?
B6' C1' B3' B7' 1.71(18) . . . . ?
B6' C1' B3' B8' 62.99(17) . . . . ?
B6' C1' B4' B3' -106.09(15) . . . . ?
B6' C1' B4' B5' 37.45(14) . . . . ?
B6' C1' B4' B8' -65.23(18) . . . . ?
B6' C1' B4' B9' -1.26(19) . . . . ?
B6' C1' B5' B4' -140.50(15) . . . . ?
B6' C1' B5' B9' -101.75(16) . . . . ?
B6' C1' B5' B10' -38.90(14) . . . . ?
B6' C1' C1 C2 143.28(15) . . . . ?
B6' C1' C1 B3 74.9(2) . . . . ?
B6' C1' C1 B4 -1.0(2) . . . . ?
B6' C1' C1 B5 -76.4(2) . . . . ?
B6' C1' C1 B6 -147.59(15) . . . . ?
B6' C2' B3' C1' 33.42(13) . . . . ?
B6' C2' B3' Ru1 133.53(13) . . . . ?
B6' C2' B3' B4' -2.68(19) . . . . ?
B6' C2' B3' B7' -104.00(17) . . . . ?
B6' C2' B3' B8' -64.39(18) . . . . ?
B6' C2' B7' B3' 104.95(16) . . . . ?
B6' C2' B7' B8' 64.82(18) . . . . ?
B6' C2' B7' B11' -36.65(14) . . . . ?
B6' C2' B7' B12' 1.58(19) . . . . ?
B6' C2' B11' B7' 141.06(15) . . . . ?
B6' C2' B11' B10' 39.11(14) . . . . ?
B6' C2' B11' B12' 102.17(16) . . . . ?
B6' B5' B9' B4' -100.11(15) . . . . ?
B6' B5' B9' B8' -63.97(18) . . . . ?
B6' B5' B9' B10' 37.32(14) . . . . ?
B6' B5' B9' B12' -0.16(19) . . . . ?
B6' B5' B10' B9' -138.01(16) . . . . ?
B6' B5' B10' B11' -38.11(14) . . . . ?
B6' B5' B10' B12' -100.88(16) . . . . ?
B6' B10' B11' C2' -39.29(14) . . . . ?
B6' B10' B11' B7' -100.58(16) . . . . ?
B6' B10' B11' B12' -138.74(15) . . . . ?
B6' B10' B12' B7' -1.3(2) . . . . ?
B6' B10' B12' B8' -63.37(19) . . . . ?
B6' B10' B12' B9' -100.81(16) . . . . ?
B6' B10' B12' B11' 36.91(14) . . . . ?
B6' B11' B12' B7' 100.80(16) . . . . ?
B6' B11' B12' B8' 64.14(19) . . . . ?
B6' B11' B12' B9' 0.78(19) . . . . ?
B6' B11' B12' B10' -36.72(14) . . . . ?
B7' C2' B3' C1' 137.42(15) . . . . ?
B7' C2' B3' Ru1 -122.47(14) . . . . ?
B7' C2' B3' B4' 101.32(15) . . . . ?
B7' C2' B3' B8' 39.61(14) . . . . ?
B7' C2' B6' C1' -101.04(16) . . . . ?
B7' C2' B6' B5' -64.85(18) . . . . ?
B7' C2' B6' B10' -2.41(19) . . . . ?
B7' C2' B6' B11' 37.18(15) . . . . ?
B7' C2' B11' B6' -141.06(15) . . . . ?
B7' C2' B11' B10' -101.95(16) . . . . ?
B7' C2' B11' B12' -38.89(14) . . . . ?
B7' B3' B4' C1' 95.07(14) . . . . ?
B7' B3' B4' B5' 61.77(19) . . . . ?
B7' B3' B4' B8' -38.63(14) . . . . ?
B7' B3' B4' B9' -2.6(2) . . . . ?
B7' B3' B8' B4' 135.91(15) . . . . ?
B7' B3' B8' B9' 100.66(16) . . . . ?
B7' B3' B8' B12' 36.86(15) . . . . ?
B7' B8' B9' B4' 100.30(16) . . . . ?
B7' B8' B9' B5' 63.63(19) . . . . ?
B7' B8' B9' B10' 0.0(2) . . . . ?
B7' B8' B9' B12' -37.77(15) . . . . ?
B7' B8' B12' B9' 138.13(16) . . . . ?
B7' B8' B12' B10' 100.91(16) . . . . ?
B7' B8' B12' B11' 37.47(15) . . . . ?
B7' B11' B12' B8' -36.66(14) . . . . ?
B7' B11' B12' B9' -100.02(16) . . . . ?
B7' B11' B12' B10' -137.52(15) . . . . ?
B8' B3' B4' C1' 133.70(14) . . . . ?
B8' B3' B4' B5' 100.40(17) . . . . ?
B8' B3' B4' B9' 36.05(15) . . . . ?
B8' B3' B7' C2' -133.99(15) . . . . ?
B8' B3' B7' B11' -99.52(16) . . . . ?
B8' B3' B7' B12' -36.49(15) . . . . ?
B8' B4' B5' C1' 98.61(16) . . . . ?
B8' B4' B5' B6' 63.70(19) . . . . ?
B8' B4' B5' B9' -37.25(15) . . . . ?
B8' B4' B5' B10' 0.8(2) . . . . ?
B8' B4' B9' B5' 139.23(16) . . . . ?
B8' B4' B9' B10' 101.16(17) . . . . ?
B8' B4' B9' B12' 37.44(15) . . . . ?
B8' B7' B11' C2' -98.35(16) . . . . ?
B8' B7' B11' B6' -63.49(18) . . . . ?
B8' B7' B11' B10' -0.6(2) . . . . ?
B8' B7' B11' B12' 37.61(15) . . . . ?
B8' B7' B12' B9' -37.25(15) . . . . ?
B8' B7' B12' B10' -100.11(17) . . . . ?
B8' B7' B12' B11' -138.19(16) . . . . ?
B8' B9' B10' B5' 100.75(16) . . . . ?
B8' B9' B10' B6' 63.0(2) . . . . ?
B8' B9' B10' B11' -0.3(2) . . . . ?
B8' B9' B10' B12' -37.66(15) . . . . ?
B8' B9' B12' B7' 36.63(14) . . . . ?
B8' B9' B12' B10' 138.11(16) . . . . ?
B8' B9' B12' B11' 100.36(16) . . . . ?
B9' B4' B5' C1' 135.86(16) . . . . ?
B9' B4' B5' B6' 100.95(16) . . . . ?
B9' B4' B5' B10' 38.10(14) . . . . ?
B9' B4' B8' B3' -140.92(15) . . . . ?
B9' B4' B8' B7' -101.17(16) . . . . ?
B9' B4' B8' B12' -37.20(14) . . . . ?
B9' B5' B6' C1' 97.87(16) . . . . ?
B9' B5' B6' C2' 62.27(18) . . . . ?
B9' B5' B6' B10' -37.61(14) . . . . ?
B9' B5' B6' B11' 0.64(19) . . . . ?
B9' B5' B10' B6' 138.01(16) . . . . ?
B9' B5' B10' B11' 99.91(17) . . . . ?
B9' B5' B10' B12' 37.14(14) . . . . ?
B9' B8' B12' B7' -138.13(16) . . . . ?
B9' B8' B12' B10' -37.21(14) . . . . ?
B9' B8' B12' B11' -100.65(17) . . . . ?
B9' B10' B11' C2' 61.84(19) . . . . ?
B9' B10' B11' B6' 101.13(16) . . . . ?
B9' B10' B11' B7' 0.6(2) . . . . ?
B9' B10' B11' B12' -37.60(15) . . . . ?
B9' B10' B12' B7' 99.48(16) . . . . ?
B9' B10' B12' B8' 37.44(14) . . . . ?
B9' B10' B12' B11' 137.72(16) . . . . ?
B10' B5' B6' C1' 135.48(16) . . . . ?
B10' B5' B6' C2' 99.88(16) . . . . ?
B10' B5' B6' B11' 38.26(14) . . . . ?
B10' B5' B9' B4' -137.43(16) . . . . ?
B10' B5' B9' B8' -101.29(17) . . . . ?
B10' B5' B9' B12' -37.48(14) . . . . ?
B10' B6' B11' C2' 135.21(15) . . . . ?
B10' B6' B11' B7' 100.97(16) . . . . ?
B10' B6' B11' B12' 37.14(14) . . . . ?
B10' B9' B12' B7' -101.48(16) . . . . ?
B10' B9' B12' B8' -138.11(16) . . . . ?
B10' B9' B12' B11' -37.74(14) . . . . ?
B10' B11' B12' B7' 137.52(15) . . . . ?
B10' B11' B12' B8' 100.86(17) . . . . ?
B10' B11' B12' B9' 37.50(14) . . . . ?
B11' C2' B3' C1' 100.65(16) . . . . ?
B11' C2' B3' Ru1 -159.24(12) . . . . ?
B11' C2' B3' B4' 64.55(18) . . . . ?
B11' C2' B3' B7' -36.77(14) . . . . ?
B11' C2' B3' B8' 2.84(19) . . . . ?
B11' C2' B6' C1' -138.22(15) . . . . ?
B11' C2' B6' B5' -102.03(16) . . . . ?
B11' C2' B6' B10' -39.59(14) . . . . ?
B11' C2' B7' B3' 141.60(15) . . . . ?
B11' C2' B7' B8' 101.47(16) . . . . ?
B11' C2' B7' B12' 38.23(14) . . . . ?
B11' B6' B10' B5' -137.37(15) . . . . ?
B11' B6' B10' B9' -100.03(17) . . . . ?
B11' B6' B10' B12' -36.63(14) . . . . ?
B11' B7' B8' B3' 102.85(15) . . . . ?
B11' B7' B8' B4' 63.58(18) . . . . ?
B11' B7' B8' B9' 0.4(2) . . . . ?
B11' B7' B8' B12' -36.94(14) . . . . ?
B11' B7' B12' B8' 138.19(16) . . . . ?
B11' B7' B12' B9' 100.93(17) . . . . ?
B11' B7' B12' B10' 38.07(14) . . . . ?
B11' B10' B12' B7' -38.24(14) . . . . ?
B11' B10' B12' B8' -100.29(16) . . . . ?
B11' B10' B12' B9' -137.72(16) . . . . ?
B12' B7' B8' B3' 139.79(16) . . . . ?
B12' B7' B8' B4' 100.52(16) . . . . ?
B12' B7' B8' B9' 37.33(15) . . . . ?
B12' B7' B11' C2' -135.96(16) . . . . ?
B12' B7' B11' B6' -101.10(16) . . . . ?
B12' B7' B11' B10' -38.20(15) . . . . ?
B12' B8' B9' B4' 138.07(16) . . . . ?
B12' B8' B9' B5' 101.40(17) . . . . ?
B12' B8' B9' B10' 37.73(15) . . . . ?
B12' B9' B10' B5' 138.41(15) . . . . ?
B12' B9' B10' B6' 100.70(17) . . . . ?
B12' B9' B10' B11' 37.34(14) . . . . ?
B12' B10' B11' C2' 99.45(16) . . . . ?
B12' B10' B11' B6' 138.74(15) . . . . ?
B12' B10' B11' B7' 38.16(14) . . . . ?
C100 P1 C111 C112 -142.74(16) . . . . ?
C100 P1 C111 C116 39.26(17) . . . . ?
C100 P1 C121 C122 -157.95(15) . . . . ?
C100 P1 C121 C126 23.33(18) . . . . ?
C111 P1 C100 C200 -173.98(13) . . . . ?
C111 P1 C121 C122 93.98(16) . . . . ?
C111 P1 C121 C126 -84.74(16) . . . . ?
C111 C112 C113 C114 -1.5(3) . . . . ?
C112 C111 C116 C115 2.0(3) . . . . ?
C112 C113 C114 C115 1.4(3) . . . . ?
C113 C114 C115 C116 0.3(3) . . . . ?
C114 C115 C116 C111 -2.0(3) . . . . ?
C116 C111 C112 C113 -0.2(3) . . . . ?
C121 P1 C100 C200 77.86(14) . . . . ?
C121 P1 C111 C112 -33.00(17) . . . . ?
C121 P1 C111 C116 149.00(15) . . . . ?
C121 C122 C123 C124 -0.6(3) . . . . ?
C122 C121 C126 C125 0.9(3) . . . . ?
C122 C123 C124 C125 1.1(3) . . . . ?
C123 C124 C125 C126 -0.6(3) . . . . ?
C124 C125 C126 C121 -0.4(3) . . . . ?
C126 C121 C122 C123 -0.4(3) . . . . ?
C200 P2 C211 C212 -126.70(17) . . . . ?
C200 P2 C211 C216 55.20(17) . . . . ?
C200 P2 C221 C222 46.53(17) . . . . ?
C200 P2 C221 C226 -133.84(15) . . . . ?
C211 P2 C200 C100 88.72(14) . . . . ?
C211 P2 C221 C222 152.07(15) . . . . ?
C211 P2 C221 C226 -28.30(17) . . . . ?
C211 C212 C213 C214 2.6(4) . . . . ?
C212 C211 C216 C215 0.5(3) . . . . ?
C212 C213 C214 C215 -1.3(4) . . . . ?
C213 C214 C215 C216 -0.3(3) . . . . ?
C214 C215 C216 C211 0.7(3) . . . . ?
C216 C211 C212 C213 -2.1(3) . . . . ?
C221 P2 C200 C100 -166.02(12) . . . . ?
C221 P2 C211 C212 127.85(17) . . . . ?
C221 P2 C211 C216 -50.26(17) . . . . ?
C221 C222 C223 C224 -1.6(3) . . . . ?
C222 C221 C226 C225 -0.6(3) . . . . ?
C222 C223 C224 C225 -0.2(3) . . . . ?
C223 C224 C225 C226 1.6(3) . . . . ?
C224 C225 C226 C221 -1.2(3) . . . . ?
C226 C221 C222 C223 2.0(3) . . . . ?
C1 C1' C2' B3' -104.11(16) . . . . ?
C1 C1' C2' B6' 111.42(17) . . . . ?
C1 C1' C2' B7' -143.28(15) . . . . ?
C1 C1' C2' B11' 149.72(15) . . . . ?
C1 C1' B3' Ru1 0.41(18) . . . . ?
C1 C1' B3' C2' 109.68(16) . . . . ?
C1 C1' B3' B4' -113.00(16) . . . . ?
C1 C1' B3' B7' 145.60(14) . . . . ?
C1 C1' B3' B8' -153.12(14) . . . . ?
C1 C1' B4' B3' 102.04(17) . . . . ?
C1 C1' B4' B5' -114.42(18) . . . . ?
C1 C1' B4' B8' 142.89(16) . . . . ?
C1 C1' B4' B9' -153.13(16) . . . . ?
C1 C1' B5' B4' 110.12(18) . . . . ?
C1 C1' B5' B6' -109.39(18) . . . . ?
C1 C1' B5' B9' 148.86(16) . . . . ?
C1 C1' B5' B10' -148.29(16) . . . . ?
C1 C1' B6' C2' -107.23(17) . . . . ?
C1 C1' B6' B5' 114.53(18) . . . . ?
C1 C1' B6' B10' 153.58(16) . . . . ?
C1 C1' B6' B11' -143.46(16) . . . . ?
C1 C2 B3 B4 -33.57(14) . . . . ?
C1 C2 B3 B7 -134.36(15) . . . . ?
C1 C2 B3 B8 -97.89(16) . . . . ?
C1 C2 B6 B5 33.91(14) . . . . ?
C1 C2 B6 B10 101.16(17) . . . . ?
C1 C2 B6 B11 138.48(15) . . . . ?
C1 C2 B7 B3 39.59(13) . . . . ?
C1 C2 B7 B8 3.42(19) . . . . ?
C1 C2 B7 B11 -97.64(14) . . . . ?
C1 C2 B7 B12 -60.56(18) . . . . ?
C1 C2 B11 B6 -35.02(13) . . . . ?
C1 C2 B11 B7 100.20(14) . . . . ?
C1 C2 B11 B10 -0.09(19) . . . . ?
C1 C2 B11 B12 63.39(17) . . . . ?
C1 B3 B4 B5 -34.78(14) . . . . ?
C1 B3 B4 B8 -135.09(16) . . . . ?
C1 B3 B4 B9 -97.67(16) . . . . ?
C1 B3 B7 C2 -40.30(13) . . . . ?
C1 B3 B7 B8 99.39(16) . . . . ?
C1 B3 B7 B11 -1.7(2) . . . . ?
C1 B3 B7 B12 62.07(19) . . . . ?
C1 B3 B8 B4 38.89(14) . . . . ?
C1 B3 B8 B7 -99.62(15) . . . . ?
C1 B3 B8 B9 1.4(2) . . . . ?
C1 B3 B8 B12 -62.32(19) . . . . ?
C1 B4 B5 B6 -35.44(13) . . . . ?
C1 B4 B5 B9 -134.85(16) . . . . ?
C1 B4 B5 B10 -96.64(16) . . . . ?
C1 B4 B8 B3 -38.71(14) . . . . ?
C1 B4 B8 B7 -1.7(2) . . . . ?
C1 B4 B8 B9 99.31(17) . . . . ?
C1 B4 B8 B12 62.00(19) . . . . ?
C1 B4 B9 B5 39.15(14) . . . . ?
C1 B4 B9 B8 -98.66(16) . . . . ?
C1 B4 B9 B10 1.3(2) . . . . ?
C1 B4 B9 B12 -61.58(19) . . . . ?
C1 B5 B6 C2 -34.05(13) . . . . ?
C1 B5 B6 B10 -138.25(16) . . . . ?
C1 B5 B6 B11 -100.73(16) . . . . ?
C1 B5 B9 B4 -39.12(14) . . . . ?
C1 B5 B9 B8 -1.5(2) . . . . ?
C1 B5 B9 B10 98.51(16) . . . . ?
C1 B5 B9 B12 61.8(2) . . . . ?
C1 B5 B10 B6 35.65(14) . . . . ?
C1 B5 B10 B9 -99.85(16) . . . . ?
C1 B5 B10 B11 0.8(2) . . . . ?
C1 B5 B10 B12 -62.76(19) . . . . ?
C1 B6 B10 B5 -38.07(14) . . . . ?
C1 B6 B10 B9 0.8(2) . . . . ?
C1 B6 B10 B11 102.55(16) . . . . ?
C1 B6 B10 B12 63.83(18) . . . . ?
C1 B6 B11 C2 37.99(13) . . . . ?
C1 B6 B11 B7 -0.9(2) . . . . ?
C1 B6 B11 B10 -102.69(17) . . . . ?
C1 B6 B11 B12 -64.10(18) . . . . ?
C2 C1 B3 B4 142.54(15) . . . . ?
C2 C1 B3 B7 39.80(13) . . . . ?
C2 C1 B3 B8 102.93(16) . . . . ?
C2 C1 B4 B3 -34.90(14) . . . . ?
C2 C1 B4 B5 105.86(15) . . . . ?
C2 C1 B4 B8 4.0(2) . . . . ?
C2 C1 B4 B9 66.50(18) . . . . ?
C2 C1 B5 B4 -103.70(16) . . . . ?
C2 C1 B5 B6 35.00(14) . . . . ?
C2 C1 B5 B9 -63.90(19) . . . . ?
C2 C1 B5 B10 -0.9(2) . . . . ?
C2 C1 B6 B5 -143.53(15) . . . . ?
C2 C1 B6 B10 -104.93(16) . . . . ?
C2 C1 B6 B11 -38.10(14) . . . . ?
C2 B3 B4 C1 34.20(14) . . . . ?
C2 B3 B4 B5 -0.6(2) . . . . ?
C2 B3 B4 B8 -100.89(17) . . . . ?
C2 B3 B4 B9 -63.47(19) . . . . ?
C2 B3 B7 B8 139.69(16) . . . . ?
C2 B3 B7 B11 38.61(14) . . . . ?
C2 B3 B7 B12 102.37(16) . . . . ?
C2 B3 B8 B4 102.47(16) . . . . ?
C2 B3 B8 B7 -36.04(14) . . . . ?
C2 B3 B8 B9 64.98(19) . . . . ?
C2 B3 B8 B12 1.3(2) . . . . ?
C2 B6 B10 B5 -103.81(17) . . . . ?
C2 B6 B10 B9 -64.92(19) . . . . ?
C2 B6 B10 B11 36.81(15) . . . . ?
C2 B6 B10 B12 -1.9(2) . . . . ?
C2 B6 B11 B7 -38.91(14) . . . . ?
C2 B6 B11 B10 -140.68(16) . . . . ?
C2 B6 B11 B12 -102.09(16) . . . . ?
C2 B7 B8 B3 36.19(15) . . . . ?
C2 B7 B8 B4 -1.1(2) . . . . ?
C2 B7 B8 B9 -64.5(2) . . . . ?
C2 B7 B8 B12 -102.16(17) . . . . ?
C2 B7 B11 B6 39.78(14) . . . . ?
C2 B7 B11 B10 101.54(15) . . . . ?
C2 B7 B11 B12 139.08(15) . . . . ?
C2 B7 B12 B8 100.80(17) . . . . ?
C2 B7 B12 B9 63.5(2) . . . . ?
C2 B7 B12 B10 0.1(2) . . . . ?
C2 B7 B12 B11 -37.34(14) . . . . ?
C2 B11 B12 B7 36.15(14) . . . . ?
C2 B11 B12 B8 -0.9(2) . . . . ?
C2 B11 B12 B9 -64.1(2) . . . . ?
C2 B11 B12 B10 -101.84(16) . . . . ?
B3 C1 C2 Ru1 110.02(14) . . . . ?
B3 C1 C2 B6 -138.36(15) . . . . ?
B3 C1 C2 B7 -40.35(14) . . . . ?
B3 C1 C2 B11 -102.87(15) . . . . ?
B3 C1 B4 B5 140.76(15) . . . . ?
B3 C1 B4 B8 38.92(15) . . . . ?
B3 C1 B4 B9 101.40(16) . . . . ?
B3 C1 B5 B4 -37.33(14) . . . . ?
B3 C1 B5 B6 101.36(16) . . . . ?
B3 C1 B5 B9 2.5(2) . . . . ?
B3 C1 B5 B10 65.47(18) . . . . ?
B3 C1 B6 C2 37.96(14) . . . . ?
B3 C1 B6 B5 -105.57(16) . . . . ?
B3 C1 B6 B10 -66.97(18) . . . . ?
B3 C1 B6 B11 -0.1(2) . . . . ?
B3 C2 B6 C1 -36.17(13) . . . . ?
B3 C2 B6 B5 -2.26(19) . . . . ?
B3 C2 B6 B10 64.99(18) . . . . ?
B3 C2 B6 B11 102.31(15) . . . . ?
B3 C2 B7 B8 -36.17(15) . . . . ?
B3 C2 B7 B11 -137.23(15) . . . . ?
B3 C2 B7 B12 -100.15(17) . . . . ?
B3 C2 B11 B6 -96.70(15) . . . . ?
B3 C2 B11 B7 38.52(14) . . . . ?
B3 C2 B11 B10 -61.77(19) . . . . ?
B3 C2 B11 B12 1.71(19) . . . . ?
B3 B4 B5 C1 34.65(14) . . . . ?
B3 B4 B5 B6 -0.8(2) . . . . ?
B3 B4 B5 B9 -100.20(17) . . . . ?
B3 B4 B5 B10 -61.99(19) . . . . ?
B3 B4 B8 B7 36.99(15) . . . . ?
B3 B4 B8 B9 138.02(17) . . . . ?
B3 B4 B8 B12 100.70(17) . . . . ?
B3 B4 B9 B5 100.74(16) . . . . ?
B3 B4 B9 B8 -37.07(15) . . . . ?
B3 B4 B9 B10 62.9(2) . . . . ?
B3 B4 B9 B12 0.0(2) . . . . ?
B3 B7 B8 B4 -37.29(15) . . . . ?
B3 B7 B8 B9 -100.68(17) . . . . ?
B3 B7 B8 B12 -138.35(17) . . . . ?
B3 B7 B11 C2 -38.17(14) . . . . ?
B3 B7 B11 B6 1.6(2) . . . . ?
B3 B7 B11 B10 63.37(19) . . . . ?
B3 B7 B11 B12 100.91(17) . . . . ?
B3 B7 B12 B8 37.19(15) . . . . ?
B3 B7 B12 B9 -0.2(2) . . . . ?
B3 B7 B12 B10 -63.53(19) . . . . ?
B3 B7 B12 B11 -100.95(16) . . . . ?
B3 B8 B9 B4 37.69(15) . . . . ?
B3 B8 B9 B5 0.0(2) . . . . ?
B3 B8 B9 B10 -63.3(2) . . . . ?
B3 B8 B9 B12 -100.78(17) . . . . ?
B3 B8 B12 B7 -37.08(15) . . . . ?
B3 B8 B12 B9 100.99(18) . . . . ?
B3 B8 B12 B10 63.1(2) . . . . ?
B3 B8 B12 B11 -0.2(2) . . . . ?
B4 C1 C2 Ru1 145.63(13) . . . . ?
B4 C1 C2 B3 35.61(15) . . . . ?
B4 C1 C2 B6 -102.75(16) . . . . ?
B4 C1 C2 B7 -4.74(19) . . . . ?
B4 C1 C2 B11 -67.26(17) . . . . ?
B4 C1 B3 C2 -142.54(15) . . . . ?
B4 C1 B3 B7 -102.74(17) . . . . ?
B4 C1 B3 B8 -39.60(14) . . . . ?
B4 C1 B5 B6 138.70(15) . . . . ?
B4 C1 B5 B9 39.80(15) . . . . ?
B4 C1 B5 B10 102.80(16) . . . . ?
B4 C1 B6 C2 104.96(15) . . . . ?
B4 C1 B6 B5 -38.57(14) . . . . ?
B4 C1 B6 B10 0.0(2) . . . . ?
B4 C1 B6 B11 66.87(18) . . . . ?
B4 B3 B7 C2 -102.22(16) . . . . ?
B4 B3 B7 B8 37.47(15) . . . . ?
B4 B3 B7 B11 -63.60(19) . . . . ?
B4 B3 B7 B12 0.2(2) . . . . ?
B4 B3 B8 B7 -138.51(17) . . . . ?
B4 B3 B8 B9 -37.49(15) . . . . ?
B4 B3 B8 B12 -101.21(18) . . . . ?
B4 B5 B6 C1 35.96(14) . . . . ?
B4 B5 B6 C2 1.92(19) . . . . ?
B4 B5 B6 B10 -102.29(17) . . . . ?
B4 B5 B6 B11 -64.76(19) . . . . ?
B4 B5 B9 B8 37.67(15) . . . . ?
B4 B5 B9 B10 137.63(16) . . . . ?
B4 B5 B9 B12 100.88(18) . . . . ?
B4 B5 B10 B6 97.37(16) . . . . ?
B4 B5 B10 B9 -38.13(15) . . . . ?
B4 B5 B10 B11 62.51(19) . . . . ?
B4 B5 B10 B12 -1.0(2) . . . . ?
B4 B8 B9 B5 -37.66(15) . . . . ?
B4 B8 B9 B10 -100.94(17) . . . . ?
B4 B8 B9 B12 -138.47(17) . . . . ?
B4 B8 B12 B7 -100.91(17) . . . . ?
B4 B8 B12 B9 37.15(15) . . . . ?
B4 B8 B12 B10 -0.8(2) . . . . ?
B4 B8 B12 B11 -64.0(2) . . . . ?
B4 B9 B10 B5 37.79(14) . . . . ?
B4 B9 B10 B6 -1.3(2) . . . . ?
B4 B9 B10 B11 -63.13(19) . . . . ?
B4 B9 B10 B12 -100.90(18) . . . . ?
B4 B9 B12 B7 0.1(2) . . . . ?
B4 B9 B12 B8 -37.16(16) . . . . ?
B4 B9 B12 B10 100.39(17) . . . . ?
B4 B9 B12 B11 62.6(2) . . . . ?
B5 C1 C2 Ru1 -146.48(13) . . . . ?
B5 C1 C2 B3 103.50(17) . . . . ?
B5 C1 C2 B6 -34.86(15) . . . . ?
B5 C1 C2 B7 63.15(18) . . . . ?
B5 C1 C2 B11 0.62(19) . . . . ?
B5 C1 B3 C2 -105.37(15) . . . . ?
B5 C1 B3 B4 37.16(15) . . . . ?
B5 C1 B3 B7 -65.57(18) . . . . ?
B5 C1 B3 B8 -2.44(19) . . . . ?
B5 C1 B4 B3 -140.76(15) . . . . ?
B5 C1 B4 B8 -101.85(17) . . . . ?
B5 C1 B4 B9 -39.36(14) . . . . ?
B5 C1 B6 C2 143.53(15) . . . . ?
B5 C1 B6 B10 38.60(15) . . . . ?
B5 C1 B6 B11 105.43(17) . . . . ?
B5 B4 B8 B3 -100.58(16) . . . . ?
B5 B4 B8 B7 -63.6(2) . . . . ?
B5 B4 B8 B9 37.44(15) . . . . ?
B5 B4 B8 B12 0.1(2) . . . . ?
B5 B4 B9 B8 -137.81(16) . . . . ?
B5 B4 B9 B10 -37.81(15) . . . . ?
B5 B4 B9 B12 -100.73(17) . . . . ?
B5 B6 B10 B9 38.89(15) . . . . ?
B5 B6 B10 B11 140.62(16) . . . . ?
B5 B6 B10 B12 101.90(17) . . . . ?
B5 B6 B11 C2 103.41(16) . . . . ?
B5 B6 B11 B7 64.50(19) . . . . ?
B5 B6 B11 B10 -37.27(15) . . . . ?
B5 B6 B11 B12 1.3(2) . . . . ?
B5 B9 B10 B6 -39.13(14) . . . . ?
B5 B9 B10 B11 -100.92(16) . . . . ?
B5 B9 B10 B12 -138.69(16) . . . . ?
B5 B9 B12 B7 -63.3(2) . . . . ?
B5 B9 B12 B8 -100.59(18) . . . . ?
B5 B9 B12 B10 36.96(15) . . . . ?
B5 B9 B12 B11 -0.8(2) . . . . ?
B5 B10 B11 C2 -0.4(2) . . . . ?
B5 B10 B11 B6 35.31(15) . . . . ?
B5 B10 B11 B7 -62.94(19) . . . . ?
B5 B10 B11 B12 -100.74(18) . . . . ?
B5 B10 B12 B7 64.01(19) . . . . ?
B5 B10 B12 B8 1.1(2) . . . . ?
B5 B10 B12 B9 -36.70(15) . . . . ?
B5 B10 B12 B11 101.08(16) . . . . ?
B6 C1 C2 Ru1 -111.62(14) . . . . ?
B6 C1 C2 B3 138.36(15) . . . . ?
B6 C1 C2 B7 98.01(15) . . . . ?
B6 C1 C2 B11 35.49(14) . . . . ?
B6 C1 B3 C2 -38.66(14) . . . . ?
B6 C1 B3 B4 103.88(16) . . . . ?
B6 C1 B3 B7 1.14(19) . . . . ?
B6 C1 B3 B8 64.27(18) . . . . ?
B6 C1 B4 B3 -102.27(16) . . . . ?
B6 C1 B4 B5 38.49(14) . . . . ?
B6 C1 B4 B8 -63.35(19) . . . . ?
B6 C1 B4 B9 -0.87(19) . . . . ?
B6 C1 B5 B4 -138.70(15) . . . . ?
B6 C1 B5 B9 -98.90(16) . . . . ?
B6 C1 B5 B10 -35.89(14) . . . . ?
B6 C2 B3 C1 35.25(13) . . . . ?
B6 C2 B3 B4 1.69(19) . . . . ?
B6 C2 B3 B7 -99.11(15) . . . . ?
B6 C2 B3 B8 -62.63(18) . . . . ?
B6 C2 B7 B3 98.97(15) . . . . ?
B6 C2 B7 B8 62.80(18) . . . . ?
B6 C2 B7 B11 -38.26(13) . . . . ?
B6 C2 B7 B12 -1.18(19) . . . . ?
B6 C2 B11 B7 135.22(16) . . . . ?
B6 C2 B11 B10 34.93(15) . . . . ?
B6 C2 B11 B12 98.41(16) . . . . ?
B6 B5 B9 B4 -99.35(15) . . . . ?
B6 B5 B9 B8 -61.68(19) . . . . ?
B6 B5 B9 B10 38.28(14) . . . . ?
B6 B5 B9 B12 1.5(2) . . . . ?
B6 B5 B10 B9 -135.50(17) . . . . ?
B6 B5 B10 B11 -34.86(15) . . . . ?
B6 B5 B10 B12 -98.41(17) . . . . ?
B6 B10 B11 C2 -35.75(15) . . . . ?
B6 B10 B11 B7 -98.25(16) . . . . ?
B6 B10 B11 B12 -136.05(16) . . . . ?
B6 B10 B12 B7 1.1(2) . . . . ?
B6 B10 B12 B8 -61.83(19) . . . . ?
B6 B10 B12 B9 -99.63(17) . . . . ?
B6 B10 B12 B11 38.15(14) . . . . ?
B6 B11 B12 B7 99.92(16) . . . . ?
B6 B11 B12 B8 62.85(19) . . . . ?
B6 B11 B12 B9 -0.3(2) . . . . ?
B6 B11 B12 B10 -38.07(14) . . . . ?
B7 C2 B3 C1 134.36(15) . . . . ?
B7 C2 B3 B4 100.79(17) . . . . ?
B7 C2 B3 B8 36.48(15) . . . . ?
B7 C2 B6 C1 -99.21(15) . . . . ?
B7 C2 B6 B5 -65.30(18) . . . . ?
B7 C2 B6 B10 1.95(19) . . . . ?
B7 C2 B6 B11 39.27(14) . . . . ?
B7 C2 B11 B6 -135.22(16) . . . . ?
B7 C2 B11 B10 -100.29(17) . . . . ?
B7 C2 B11 B12 -36.81(15) . . . . ?
B7 B3 B4 C1 97.57(16) . . . . ?
B7 B3 B4 B5 62.78(19) . . . . ?
B7 B3 B4 B8 -37.53(15) . . . . ?
B7 B3 B4 B9 -0.1(2) . . . . ?
B7 B3 B8 B4 138.51(17) . . . . ?
B7 B3 B8 B9 101.02(18) . . . . ?
B7 B3 B8 B12 37.30(15) . . . . ?
B7 B8 B9 B4 100.83(17) . . . . ?
B7 B8 B9 B5 63.2(2) . . . . ?
B7 B8 B9 B10 -0.1(2) . . . . ?
B7 B8 B9 B12 -37.63(15) . . . . ?
B7 B8 B12 B9 138.06(17) . . . . ?
B7 B8 B12 B10 100.16(17) . . . . ?
B7 B8 B12 B11 36.88(15) . . . . ?
B7 B11 B12 B8 -37.07(15) . . . . ?
B7 B11 B12 B9 -100.21(18) . . . . ?
B7 B11 B12 B10 -137.99(16) . . . . ?
B8 B3 B4 C1 135.09(16) . . . . ?
B8 B3 B4 B5 100.31(17) . . . . ?
B8 B3 B4 B9 37.43(16) . . . . ?
B8 B3 B7 C2 -139.69(16) . . . . ?
B8 B3 B7 B11 -101.07(17) . . . . ?
B8 B3 B7 B12 -37.31(16) . . . . ?
B8 B4 B5 C1 97.20(16) . . . . ?
B8 B4 B5 B6 61.77(18) . . . . ?
B8 B4 B5 B9 -37.64(15) . . . . ?
B8 B4 B5 B10 0.6(2) . . . . ?
B8 B4 B9 B5 137.81(16) . . . . ?
B8 B4 B9 B10 100.00(18) . . . . ?
B8 B4 B9 B12 37.08(16) . . . . ?
B8 B7 B11 C2 -101.53(16) . . . . ?
B8 B7 B11 B6 -61.75(19) . . . . ?
B8 B7 B11 B10 0.0(2) . . . . ?
B8 B7 B11 B12 37.55(15) . . . . ?
B8 B7 B12 B9 -37.34(16) . . . . ?
B8 B7 B12 B10 -100.72(17) . . . . ?
B8 B7 B12 B11 -138.14(16) . . . . ?
B8 B9 B10 B5 101.04(17) . . . . ?
B8 B9 B10 B6 61.9(2) . . . . ?
B8 B9 B10 B11 0.1(2) . . . . ?
B8 B9 B10 B12 -37.65(15) . . . . ?
B8 B9 B12 B7 37.25(15) . . . . ?
B8 B9 B12 B10 137.55(17) . . . . ?
B8 B9 B12 B11 99.80(17) . . . . ?
B9 B4 B5 C1 134.85(16) . . . . ?
B9 B4 B5 B6 99.41(16) . . . . ?
B9 B4 B5 B10 38.21(15) . . . . ?
B9 B4 B8 B3 -138.02(17) . . . . ?
B9 B4 B8 B7 -101.03(18) . . . . ?
B9 B4 B8 B12 -37.32(16) . . . . ?
B9 B5 B6 C1 98.91(16) . . . . ?
B9 B5 B6 C2 64.87(18) . . . . ?
B9 B5 B6 B10 -39.34(15) . . . . ?
B9 B5 B6 B11 -1.8(2) . . . . ?
B9 B5 B10 B6 135.50(17) . . . . ?
B9 B5 B10 B11 100.63(18) . . . . ?
B9 B5 B10 B12 37.09(15) . . . . ?
B9 B8 B12 B7 -138.06(17) . . . . ?
B9 B8 B12 B10 -37.91(15) . . . . ?
B9 B8 B12 B11 -101.18(17) . . . . ?
B9 B10 B11 C2 62.42(19) . . . . ?
B9 B10 B11 B6 98.17(17) . . . . ?
B9 B10 B11 B7 -0.1(2) . . . . ?
B9 B10 B11 B12 -37.88(15) . . . . ?
B9 B10 B12 B7 100.71(17) . . . . ?
B9 B10 B12 B8 37.80(16) . . . . ?
B9 B10 B12 B11 137.78(16) . . . . ?
B10 B5 B6 C1 138.25(16) . . . . ?
B10 B5 B6 C2 104.20(17) . . . . ?
B10 B5 B6 B11 37.53(15) . . . . ?
B10 B5 B9 B4 -137.63(16) . . . . ?
B10 B5 B9 B8 -99.96(18) . . . . ?
B10 B5 B9 B12 -36.74(15) . . . . ?
B10 B6 B11 C2 140.68(16) . . . . ?
B10 B6 B11 B7 101.77(17) . . . . ?
B10 B6 B11 B12 38.59(15) . . . . ?
B10 B9 B12 B7 -100.30(17) . . . . ?
B10 B9 B12 B8 -137.55(17) . . . . ?
B10 B9 B12 B11 -37.75(15) . . . . ?
B10 B11 B12 B7 137.99(16) . . . . ?
B10 B11 B12 B8 100.92(17) . . . . ?
B10 B11 B12 B9 37.77(15) . . . . ?
B11 C2 B3 C1 96.05(15) . . . . ?
B11 C2 B3 B4 62.48(18) . . . . ?
B11 C2 B3 B7 -38.32(14) . . . . ?
B11 C2 B3 B8 -1.84(19) . . . . ?
B11 C2 B6 C1 -138.48(15) . . . . ?
B11 C2 B6 B5 -104.57(17) . . . . ?
B11 C2 B6 B10 -37.32(15) . . . . ?
B11 C2 B7 B3 137.23(15) . . . . ?
B11 C2 B7 B8 101.06(17) . . . . ?
B11 C2 B7 B12 37.08(15) . . . . ?
B11 B6 B10 B5 -140.62(16) . . . . ?
B11 B6 B10 B9 -101.73(17) . . . . ?
B11 B6 B10 B12 -38.72(15) . . . . ?
B11 B7 B8 B3 100.75(16) . . . . ?
B11 B7 B8 B4 63.5(2) . . . . ?
B11 B7 B8 B9 0.1(2) . . . . ?
B11 B7 B8 B12 -37.61(15) . . . . ?
B11 B7 B12 B8 138.14(16) . . . . ?
B11 B7 B12 B9 100.80(17) . . . . ?
B11 B7 B12 B10 37.43(15) . . . . ?
B11 B10 B12 B7 -37.07(14) . . . . ?
B11 B10 B12 B8 -99.98(17) . . . . ?
B11 B10 B12 B9 -137.78(16) . . . . ?
B12 B7 B8 B3 138.35(16) . . . . ?
B12 B7 B8 B4 101.07(18) . . . . ?
B12 B7 B8 B9 37.67(16) . . . . ?
B12 B7 B11 C2 -139.08(15) . . . . ?
B12 B7 B11 B6 -99.30(16) . . . . ?
B12 B7 B11 B10 -37.54(15) . . . . ?
B12 B8 B9 B4 138.47(17) . . . . ?
B12 B8 B9 B5 100.81(18) . . . . ?
B12 B8 B9 B10 37.53(15) . . . . ?
B12 B9 B10 B5 138.69(16) . . . . ?
B12 B9 B10 B6 99.56(17) . . . . ?
B12 B9 B10 B11 37.77(15) . . . . ?
B12 B10 B11 C2 100.30(17) . . . . ?
B12 B10 B11 B6 136.05(16) . . . . ?
B12 B10 B11 B7 37.80(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5259
_database_code_depnum_ccdc_archive 'CCDC 1418096'
_audit_update_record             
;
2015-08-11 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-07-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H50 B20 N2 P2 Ru, 3(C2 H3 N)'
_chemical_formula_sum            'C40 H59 B20 N5 P2 Ru'
_chemical_formula_weight         989.13
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.5530(9)
_cell_length_b                   19.6096(8)
_cell_length_c                   23.5945(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.465(2)
_cell_angle_gamma                90
_cell_volume                     9941.8(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9911
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.890
_cell_measurement_theta_min      2.466
_shelx_estimated_absorpt_T_max   0.892
_shelx_estimated_absorpt_T_min   0.800
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.7123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0783 before and 0.0488 after correction.
The Ratio of minimum to maximum transmission is 0.9548.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4064
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            107261
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.099
_diffrn_reflns_theta_min         2.250
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11576
_reflns_number_total             14488
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     714
_refine_ls_number_reflns         14488
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0351
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0499P)²+15.3671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1023
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N6S) = Uanis(N3S)
Uanis(N12T) = Uanis(N12S)
3. Others
 Sof(C1S)=Sof(H1SA)=Sof(H1SB)=Sof(H1SC)=Sof(C2S)=Sof(N3S)=1-FVAR(1)
 Sof(C4S)=Sof(H4SA)=Sof(H4SB)=Sof(H4SC)=Sof(C5S)=Sof(N6S)=FVAR(1)
 Sof(C11T)=Sof(N12T)=1-FVAR(2)
 Sof(C10S)=Sof(N12S)=FVAR(2)
4.a Secondary CH2 refined with riding coordinates:
 C100(H10A,H10B), C200(H20A,H20B)
4.b Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C202(H202), C203(H203),
 C204(H204), C205(H205), C206(H206), C212(H212), C213(H213), C214(H214),
 C215(H215), C216(H216)
4.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C22(H22A,H22B,H22C), C10S(H10C,H10D,H10E), C7S(H7SA,H7SB,
 H7SC), C1S(H1SA,H1SB,H1SC), C4S(H4SA,H4SB,H4SC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.85584(9) 0.33973(10) 0.87689(8) 0.0190(3) Uani 1 1 d . . . . .
N1 N 0.77242(8) 0.50507(9) 0.82066(7) 0.0213(3) Uani 1 1 d . . . . .
P1 P 0.65420(2) 0.48470(2) 0.87794(2) 0.01841(10) Uani 1 1 d . . . . .
Ru1 Ru 0.72502(2) 0.41682(2) 0.82618(2) 0.01523(5) Uani 1 1 d . . . . .
C2 C 0.79409(9) 0.39183(10) 0.89499(8) 0.0192(4) Uani 1 1 d . . . . .
N2 N 0.67734(7) 0.33116(8) 0.83656(7) 0.0192(3) Uani 1 1 d . . . . .
P2 P 0.65627(2) 0.44600(3) 0.74788(2) 0.01820(10) Uani 1 1 d . . . . .
B3 B 0.80136(10) 0.30753(11) 0.91886(9) 0.0200(4) Uani 1 1 d . . . . .
H3 H 0.7666(11) 0.2703(12) 0.9037(10) 0.024 Uiso 1 1 d R . . . .
B4 B 0.88196(10) 0.28588(12) 0.93133(10) 0.0223(4) Uani 1 1 d . . . . .
H4 H 0.8984(11) 0.2385(13) 0.9216(10) 0.027 Uiso 1 1 d R . . . .
B5 B 0.92526(10) 0.35886(12) 0.91405(10) 0.0222(4) Uani 1 1 d . . . . .
H5 H 0.9668(11) 0.3534(12) 0.8935(10) 0.027 Uiso 1 1 d R . . . .
B6 B 0.87018(10) 0.42311(11) 0.89153(9) 0.0204(4) Uani 1 1 d . . . . .
H6 H 0.8799(11) 0.4550(13) 0.8570(10) 0.025 Uiso 1 1 d R . . . .
B7 B 0.78384(10) 0.37303(11) 0.96571(9) 0.0200(4) Uani 1 1 d . . . . .
H7 H 0.7369(11) 0.3774(12) 0.9785(10) 0.024 Uiso 1 1 d R . . . .
B8 B 0.83736(10) 0.30720(12) 0.98892(9) 0.0221(4) Uani 1 1 d . . . . .
H8 H 0.8246(11) 0.2668(13) 1.0209(10) 0.027 Uiso 1 1 d R . . . .
B9 B 0.91430(11) 0.34016(12) 0.98631(10) 0.0237(4) Uani 1 1 d . . . . .
H9 H 0.9531(11) 0.3228(13) 1.0137(11) 0.028 Uiso 1 1 d R . . . .
B10 B 0.90765(11) 0.42568(12) 0.96064(10) 0.0223(4) Uani 1 1 d . . . . .
H10 H 0.9403(11) 0.4652(13) 0.9705(10) 0.027 Uiso 1 1 d R . . . .
B11 B 0.82665(10) 0.44544(12) 0.94826(9) 0.0198(4) Uani 1 1 d . . . . .
H11 H 0.8085(11) 0.4945(12) 0.9510(10) 0.024 Uiso 1 1 d R . . . .
C11 C 0.79816(10) 0.55600(11) 0.82210(9) 0.0286(4) Uani 1 1 d . . . . .
B12 B 0.85358(11) 0.39380(12) 1.00760(9) 0.0225(4) Uani 1 1 d . . . . .
H12 H 0.8527(12) 0.4141(12) 1.0517(11) 0.027 Uiso 1 1 d R . . . .
C12 C 0.83264(14) 0.62033(14) 0.82445(15) 0.0544(8) Uani 1 1 d . . . . .
H12A H 0.8624 0.6204 0.7951 0.082 Uiso 1 1 calc GR . . . .
H12B H 0.8551 0.6253 0.8620 0.082 Uiso 1 1 calc GR . . . .
H12C H 0.8035 0.6584 0.8178 0.082 Uiso 1 1 calc GR . . . .
C21 C 0.64958(9) 0.28218(10) 0.84263(8) 0.0221(4) Uani 1 1 d . . . . .
C22 C 0.61277(11) 0.22141(12) 0.85244(11) 0.0348(5) Uani 1 1 d . . . . .
H22A H 0.6032 0.1975 0.8163 0.052 Uiso 1 1 calc GR . . . .
H22B H 0.5739 0.2348 0.8684 0.052 Uiso 1 1 calc GR . . . .
H22C H 0.6365 0.1912 0.8791 0.052 Uiso 1 1 calc GR . . . .
C100 C 0.61373(10) 0.53852(10) 0.82250(8) 0.0221(4) Uani 1 1 d . . . . .
H10A H 0.5789 0.5634 0.8382 0.027 Uiso 1 1 calc R . . . .
H10B H 0.6429 0.5723 0.8082 0.027 Uiso 1 1 calc R . . . .
C101 C 0.68238(9) 0.54566(10) 0.93273(8) 0.0216(4) Uani 1 1 d . . . . .
C102 C 0.70262(11) 0.61101(11) 0.91947(9) 0.0303(5) Uani 1 1 d . . . . .
H102 H 0.6981 0.6264 0.8812 0.036 Uiso 1 1 calc R . . . .
C103 C 0.72921(13) 0.65372(12) 0.96163(11) 0.0389(6) Uani 1 1 d . . . . .
H103 H 0.7424 0.6982 0.9521 0.047 Uiso 1 1 calc R . . . .
C104 C 0.73655(13) 0.63153(12) 1.01754(10) 0.0375(5) Uani 1 1 d . . . . .
H104 H 0.7551 0.6606 1.0463 0.045 Uiso 1 1 calc R . . . .
C105 C 0.71674(11) 0.56673(12) 1.03149(9) 0.0303(5) Uani 1 1 d . . . . .
H105 H 0.7220 0.5513 1.0697 0.036 Uiso 1 1 calc R . . . .
C106 C 0.68936(10) 0.52451(11) 0.98960(8) 0.0244(4) Uani 1 1 d . . . . .
H106 H 0.6751 0.4806 0.9996 0.029 Uiso 1 1 calc R . . . .
C111 C 0.58971(9) 0.44470(10) 0.91174(8) 0.0212(4) Uani 1 1 d . . . . .
C112 C 0.53206(11) 0.47666(13) 0.91352(10) 0.0336(5) Uani 1 1 d . . . . .
H112 H 0.5252 0.5195 0.8954 0.040 Uiso 1 1 calc R . . . .
C113 C 0.48469(11) 0.44681(14) 0.94136(11) 0.0384(6) Uani 1 1 d . . . . .
H113 H 0.4457 0.4693 0.9422 0.046 Uiso 1 1 calc R . . . .
C114 C 0.49401(11) 0.38447(13) 0.96794(9) 0.0323(5) Uani 1 1 d . . . . .
H114 H 0.4614 0.3639 0.9868 0.039 Uiso 1 1 calc R . . . .
C115 C 0.55068(11) 0.35222(12) 0.96707(9) 0.0294(4) Uani 1 1 d . . . . .
H115 H 0.5573 0.3096 0.9857 0.035 Uiso 1 1 calc R . . . .
C116 C 0.59824(10) 0.38198(11) 0.93902(8) 0.0245(4) Uani 1 1 d . . . . .
H116 H 0.6371 0.3592 0.9384 0.029 Uiso 1 1 calc R . . . .
C200 C 0.58896(9) 0.49128(11) 0.77424(8) 0.0225(4) Uani 1 1 d . . . . .
H20A H 0.5673 0.5182 0.7432 0.027 Uiso 1 1 calc R . . . .
H20B H 0.5591 0.4581 0.7884 0.027 Uiso 1 1 calc R . . . .
C201 C 0.68035(10) 0.50676(10) 0.69440(8) 0.0229(4) Uani 1 1 d . . . . .
C202 C 0.74286(11) 0.52328(11) 0.69096(9) 0.0269(4) Uani 1 1 d . . . . .
H202 H 0.7737 0.5029 0.7165 0.032 Uiso 1 1 calc R . . . .
C203 C 0.76057(14) 0.56960(12) 0.65022(10) 0.0378(6) Uani 1 1 d . . . . .
H203 H 0.8033 0.5807 0.6484 0.045 Uiso 1 1 calc R . . . .
C204 C 0.71610(16) 0.59929(12) 0.61261(10) 0.0437(7) Uani 1 1 d . . . . .
H204 H 0.7282 0.6311 0.5852 0.052 Uiso 1 1 calc R . . . .
C205 C 0.65411(15) 0.58261(12) 0.61506(10) 0.0410(6) Uani 1 1 d . . . . .
H205 H 0.6237 0.6026 0.5888 0.049 Uiso 1 1 calc R . . . .
C206 C 0.63581(12) 0.53672(11) 0.65569(9) 0.0309(5) Uani 1 1 d . . . . .
H206 H 0.5930 0.5257 0.6572 0.037 Uiso 1 1 calc R . . . .
C211 C 0.62048(9) 0.37780(10) 0.70359(8) 0.0213(4) Uani 1 1 d . . . . .
C212 C 0.64109(10) 0.36358(11) 0.65009(9) 0.0256(4) Uani 1 1 d . . . . .
H212 H 0.6709 0.3926 0.6348 0.031 Uiso 1 1 calc R . . . .
C213 C 0.61850(11) 0.30736(12) 0.61887(9) 0.0299(5) Uani 1 1 d . . . . .
H213 H 0.6330 0.2984 0.5826 0.036 Uiso 1 1 calc R . . . .
C214 C 0.57535(11) 0.26487(12) 0.64014(10) 0.0318(5) Uani 1 1 d . . . . .
H214 H 0.5600 0.2266 0.6187 0.038 Uiso 1 1 calc R . . . .
C215 C 0.55423(11) 0.27817(12) 0.69327(10) 0.0320(5) Uani 1 1 d . . . . .
H215 H 0.5244 0.2488 0.7082 0.038 Uiso 1 1 calc R . . . .
C216 C 0.57656(10) 0.33428(11) 0.72469(9) 0.0259(4) Uani 1 1 d . . . . .
H216 H 0.5617 0.3430 0.7609 0.031 Uiso 1 1 calc R . . . .
C1' C 0.85157(9) 0.32060(10) 0.81412(8) 0.0189(3) Uani 1 1 d . . . . .
C2' C 0.79644(10) 0.26787(10) 0.79274(9) 0.0240(4) Uani 1 1 d . . . . .
H2' H 0.7709(12) 0.2469(13) 0.8232(11) 0.029 Uiso 1 1 d R . . . .
B3' B 0.78302(10) 0.35731(12) 0.77540(9) 0.0203(4) Uani 1 1 d . . . . .
B4' B 0.86171(10) 0.37872(12) 0.76154(9) 0.0213(4) Uani 1 1 d . . . . .
H4' H 0.8790(11) 0.4301(12) 0.7734(10) 0.026 Uiso 1 1 d R . . . .
B5' B 0.91519(11) 0.30964(12) 0.77507(10) 0.0241(4) Uani 1 1 d . . . . .
H5' H 0.9593(12) 0.3189(13) 0.7964(11) 0.029 Uiso 1 1 d R . . . .
B6' B 0.87239(11) 0.23789(12) 0.79607(10) 0.0240(4) Uani 1 1 d . . . . .
H6' H 0.8886(11) 0.2021(13) 0.8305(11) 0.029 Uiso 1 1 d R . . . .
B7' B 0.76477(11) 0.28614(12) 0.72719(10) 0.0224(4) Uani 1 1 d . . . . .
H7' H 0.7165(11) 0.2757(13) 0.7170(10) 0.027 Uiso 1 1 d R . . . .
B8' B 0.80774(11) 0.35634(12) 0.70429(9) 0.0227(4) Uani 1 1 d . . . . .
H8' H 0.7890(11) 0.3916(13) 0.6752(10) 0.027 Uiso 1 1 d R . . . .
B9' B 0.88702(12) 0.33041(13) 0.70432(10) 0.0266(5) Uani 1 1 d . . . . .
H9' H 0.9178(12) 0.3518(13) 0.6750(11) 0.032 Uiso 1 1 d R . . . .
B10' B 0.89329(12) 0.24325(13) 0.72559(10) 0.0273(5) Uani 1 1 d . . . . .
H10' H 0.9276(12) 0.2098(13) 0.7127(11) 0.033 Uiso 1 1 d R . . . .
B11' B 0.81712(12) 0.21610(12) 0.73939(11) 0.0265(5) Uani 1 1 d . . . . .
H11' H 0.7962(12) 0.1636(13) 0.7394(11) 0.032 Uiso 1 1 d R . . . .
B12' B 0.82626(11) 0.27247(13) 0.68220(10) 0.0263(5) Uani 1 1 d . . . . .
H12' H 0.8148(12) 0.2570(13) 0.6394(11) 0.032 Uiso 1 1 d R . . . .
C10S C 0.8919(2) 0.5775(2) 1.05511(16) 0.0594(12) Uani 0.846(6) 1 d . . P A 1
H10C H 0.8597 0.5426 1.0479 0.089 Uiso 1 1 calc GR . . A 1
H10D H 0.8797 0.6087 1.0847 0.089 Uiso 1 1 calc GR . . A 1
H10E H 0.9314 0.5555 1.0677 0.089 Uiso 1 1 calc GR . . A 1
C11S C 0.89897(19) 0.6145(2) 1.00453(18) 0.0687(10) Uani 1 1 d . . . . .
N12S N 0.9029(2) 0.6447(3) 0.96334(19) 0.0935(19) Uani 0.846(6) 1 d . . P A 1
C11T C 0.9313(12) 0.6005(11) 0.951(3) 0.114(18) Uani 0.154(6) 1 d . . P A 2
N12T N 0.9491(14) 0.6010(16) 0.9172(11) 0.0935(19) Uani 0.154(6) 1 d . . P A 2
C7S C 0.44076(19) 0.26491(19) 1.07251(18) 0.0736(11) Uani 1 1 d . . . . .
H7SA H 0.4657 0.2427 1.0448 0.110 Uiso 1 1 calc GR . . . .
H7SB H 0.4031 0.2844 1.0528 0.110 Uiso 1 1 calc GR . . . .
H7SC H 0.4290 0.2312 1.1005 0.110 Uiso 1 1 calc GR . . . .
C8S C 0.47718(18) 0.31911(19) 1.10146(16) 0.0618(9) Uani 1 1 d . . . . .
N9S N 0.50618(16) 0.36330(18) 1.12444(16) 0.0771(9) Uani 1 1 d . . . . .
C1S C 0.5047(4) 0.0596(5) 0.8747(3) 0.082(3) Uani 0.520(5) 1 d . . P B -2
H1SA H 0.4737 0.0928 0.8596 0.122 Uiso 0.520(5) 1 calc GR . P B -2
H1SB H 0.5230 0.0750 0.9118 0.122 Uiso 0.520(5) 1 calc GR . P B -2
H1SC H 0.4846 0.0152 0.8790 0.122 Uiso 0.520(5) 1 calc GR . P B -2
C2S C 0.5523(3) 0.0532(4) 0.8366(3) 0.0618(19) Uani 0.520(5) 1 d . . P B -2
N3S N 0.5900(5) 0.0532(5) 0.8042(4) 0.110(3) Uani 0.520(5) 1 d . . P B -2
C4S C 0.5054(4) 0.0004(5) 0.8141(5) 0.103(4) Uani 0.480(5) 1 d . . P B -1
H4SA H 0.4607 0.0102 0.8104 0.155 Uiso 0.480(5) 1 calc GR . P B -1
H4SB H 0.5197 -0.0033 0.8544 0.155 Uiso 0.480(5) 1 calc GR . P B -1
H4SC H 0.5134 -0.0427 0.7949 0.155 Uiso 0.480(5) 1 calc GR . P B -1
C5S C 0.5377(5) 0.0534(5) 0.7891(4) 0.085(3) Uani 0.480(5) 1 d . . P B -1
N6S N 0.5595(5) 0.0988(5) 0.7659(4) 0.110(3) Uani 0.480(5) 1 d . . P B -1


_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 1.757(3) . ?
C1 B3 1.714(3) . ?
C1 B4 1.723(3) . ?
C1 B5 1.716(3) . ?
C1 B6 1.695(3) . ?
C1 C1' 1.524(3) . ?
N1 Ru1 2.0188(17) . ?
N1 C11 1.142(3) . ?
P1 Ru1 2.4256(5) . ?
P1 C100 1.8461(19) . ?
P1 C101 1.830(2) . ?
P1 C111 1.832(2) . ?
Ru1 C2 2.1716(18) . ?
Ru1 N2 1.9943(17) . ?
Ru1 P2 2.3473(5) . ?
Ru1 B3' 2.143(2) . ?
C2 B3 1.750(3) . ?
C2 B6 1.759(3) . ?
C2 B7 1.740(3) . ?
C2 B11 1.744(3) . ?
N2 C21 1.147(3) . ?
P2 C200 1.849(2) . ?
P2 C201 1.839(2) . ?
P2 C211 1.830(2) . ?
B3 H3 1.09(2) . ?
B3 B4 1.790(3) . ?
B3 B7 1.755(3) . ?
B3 B8 1.771(3) . ?
B4 H4 1.03(2) . ?
B4 B5 1.773(3) . ?
B4 B8 1.774(3) . ?
B4 B9 1.778(3) . ?
B5 H5 1.06(2) . ?
B5 B6 1.784(3) . ?
B5 B9 1.777(3) . ?
B5 B10 1.770(3) . ?
B6 H6 1.06(2) . ?
B6 B10 1.763(3) . ?
B6 B11 1.749(3) . ?
B7 H7 1.08(2) . ?
B7 B8 1.788(3) . ?
B7 B11 1.760(3) . ?
B7 B12 1.781(3) . ?
B8 H8 1.14(2) . ?
B8 B9 1.785(3) . ?
B8 B12 1.782(3) . ?
B9 H9 1.07(2) . ?
B9 B10 1.785(3) . ?
B9 B12 1.782(3) . ?
B10 H10 1.06(2) . ?
B10 B11 1.790(3) . ?
B10 B12 1.783(3) . ?
B11 H11 1.04(2) . ?
B11 B12 1.788(3) . ?
C11 C12 1.463(3) . ?
B12 H12 1.12(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C21 C22 1.460(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C100 C200 1.531(3) . ?
C101 C102 1.397(3) . ?
C101 C106 1.401(3) . ?
C102 H102 0.9500 . ?
C102 C103 1.390(3) . ?
C103 H103 0.9500 . ?
C103 C104 1.386(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.388(3) . ?
C105 H105 0.9500 . ?
C105 C106 1.385(3) . ?
C106 H106 0.9500 . ?
C111 C112 1.395(3) . ?
C111 C116 1.394(3) . ?
C112 H112 0.9500 . ?
C112 C113 1.386(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.382(3) . ?
C114 H114 0.9500 . ?
C114 C115 1.377(3) . ?
C115 H115 0.9500 . ?
C115 C116 1.391(3) . ?
C116 H116 0.9500 . ?
C200 H20A 0.9900 . ?
C200 H20B 0.9900 . ?
C201 C202 1.394(3) . ?
C201 C206 1.402(3) . ?
C202 H202 0.9500 . ?
C202 C203 1.397(3) . ?
C203 H203 0.9500 . ?
C203 C204 1.383(4) . ?
C204 H204 0.9500 . ?
C204 C205 1.381(4) . ?
C205 H205 0.9500 . ?
C205 C206 1.394(3) . ?
C206 H206 0.9500 . ?
C211 C212 1.399(3) . ?
C211 C216 1.395(3) . ?
C212 H212 0.9500 . ?
C212 C213 1.393(3) . ?
C213 H213 0.9500 . ?
C213 C214 1.372(3) . ?
C214 H214 0.9500 . ?
C214 C215 1.391(3) . ?
C215 H215 0.9500 . ?
C215 C216 1.392(3) . ?
C216 H216 0.9500 . ?
C1' C2' 1.625(3) . ?
C1' B3' 1.823(3) . ?
C1' B4' 1.711(3) . ?
C1' B5' 1.724(3) . ?
C1' B6' 1.744(3) . ?
C2' H2' 1.02(3) . ?
C2' B3' 1.819(3) . ?
C2' B6' 1.735(3) . ?
C2' B7' 1.680(3) . ?
C2' B11' 1.703(3) . ?
B3' B4' 1.802(3) . ?
B3' B7' 1.824(3) . ?
B3' B8' 1.800(3) . ?
B4' H4' 1.10(2) . ?
B4' B5' 1.791(3) . ?
B4' B8' 1.768(3) . ?
B4' B9' 1.770(3) . ?
B5' H5' 1.06(2) . ?
B5' B6' 1.774(3) . ?
B5' B9' 1.778(3) . ?
B5' B10' 1.787(3) . ?
B6' H6' 1.11(2) . ?
B6' B10' 1.759(4) . ?
B6' B11' 1.772(3) . ?
B7' H7' 1.07(2) . ?
B7' B8' 1.767(3) . ?
B7' B11' 1.786(3) . ?
B7' B12' 1.782(3) . ?
B8' H8' 1.03(3) . ?
B8' B9' 1.783(3) . ?
B8' B12' 1.780(3) . ?
B9' H9' 1.08(3) . ?
B9' B10' 1.784(4) . ?
B9' B12' 1.781(4) . ?
B10' H10' 1.05(3) . ?
B10' B11' 1.780(4) . ?
B10' B12' 1.798(3) . ?
B11' H11' 1.12(3) . ?
B11' B12' 1.767(4) . ?
B12' H12' 1.06(3) . ?
C10S H10C 0.9800 . ?
C10S H10D 0.9800 . ?
C10S H10E 0.9800 . ?
C10S C11S 1.415(6) . ?
C11S N12S 1.147(5) . ?
C11S C11T 1.51(5) . ?
C11T N12T 0.92(6) . ?
C7S H7SA 0.9800 . ?
C7S H7SB 0.9800 . ?
C7S H7SC 0.9800 . ?
C7S C8S 1.459(6) . ?
C8S N9S 1.176(5) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C1S C2S 1.422(11) . ?
C2S N3S 1.157(11) . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?
C4S C5S 1.406(11) . ?
C5S N6S 1.163(12) . ?

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
B3 C1 C2 60.52(12) . . ?
B3 C1 B4 62.77(12) . . ?
B3 C1 B5 113.24(15) . . ?
B4 C1 C2 112.65(15) . . ?
B5 C1 C2 113.31(14) . . ?
B5 C1 B4 62.09(13) . . ?
B6 C1 C2 61.24(12) . . ?
B6 C1 B3 111.09(15) . . ?
B6 C1 B4 113.31(15) . . ?
B6 C1 B5 63.06(13) . . ?
C1' C1 C2 112.94(14) . . ?
C1' C1 B3 118.59(15) . . ?
C1' C1 B4 124.42(16) . . ?
C1' C1 B5 122.34(16) . . ?
C1' C1 B6 115.59(16) . . ?
C11 N1 Ru1 174.30(18) . . ?
C100 P1 Ru1 103.77(7) . . ?
C101 P1 Ru1 121.81(7) . . ?
C101 P1 C100 103.87(9) . . ?
C101 P1 C111 101.15(9) . . ?
C111 P1 Ru1 120.86(7) . . ?
C111 P1 C100 102.74(9) . . ?
N1 Ru1 P1 84.46(5) . . ?
N1 Ru1 C2 85.46(7) . . ?
N1 Ru1 P2 91.83(5) . . ?
N1 Ru1 B3' 96.35(8) . . ?
C2 Ru1 P1 99.73(5) . . ?
C2 Ru1 P2 175.89(5) . . ?
N2 Ru1 N1 176.47(7) . . ?
N2 Ru1 P1 92.86(5) . . ?
N2 Ru1 C2 92.74(7) . . ?
N2 Ru1 P2 90.13(4) . . ?
N2 Ru1 B3' 86.48(8) . . ?
P2 Ru1 P1 83.051(17) . . ?
B3' Ru1 P1 176.02(6) . . ?
B3' Ru1 C2 84.22(7) . . ?
B3' Ru1 P2 93.02(6) . . ?
C1 C2 Ru1 115.97(11) . . ?
C1 C2 B6 57.64(11) . . ?
B3 C2 C1 58.55(11) . . ?
B3 C2 Ru1 119.53(12) . . ?
B3 C2 B6 106.50(14) . . ?
B6 C2 Ru1 118.30(12) . . ?
B7 C2 C1 105.37(13) . . ?
B7 C2 Ru1 129.35(13) . . ?
B7 C2 B3 60.38(12) . . ?
B7 C2 B6 107.87(14) . . ?
B7 C2 B11 60.68(12) . . ?
B11 C2 C1 104.82(13) . . ?
B11 C2 Ru1 128.09(12) . . ?
B11 C2 B3 108.46(14) . . ?
B11 C2 B6 59.92(12) . . ?
C21 N2 Ru1 179.52(18) . . ?
C200 P2 Ru1 108.42(6) . . ?
C201 P2 Ru1 120.21(7) . . ?
C201 P2 C200 100.98(9) . . ?
C211 P2 Ru1 118.90(6) . . ?
C211 P2 C200 103.66(9) . . ?
C211 P2 C201 102.16(9) . . ?
C1 B3 C2 60.93(12) . . ?
C1 B3 H3 122.8(13) . . ?
C1 B3 B4 58.85(12) . . ?
C1 B3 B7 106.56(15) . . ?
C1 B3 B8 105.69(15) . . ?
C2 B3 H3 119.1(12) . . ?
C2 B3 B4 109.78(15) . . ?
C2 B3 B7 59.53(12) . . ?
C2 B3 B8 109.02(15) . . ?
B4 B3 H3 122.0(13) . . ?
B7 B3 H3 121.5(13) . . ?
B7 B3 B4 108.89(15) . . ?
B7 B3 B8 60.97(12) . . ?
B8 B3 H3 123.1(13) . . ?
B8 B3 B4 59.77(13) . . ?
C1 B4 B3 58.38(12) . . ?
C1 B4 H4 119.1(14) . . ?
C1 B4 B5 58.75(12) . . ?
C1 B4 B8 105.15(15) . . ?
C1 B4 B9 105.29(16) . . ?
B3 B4 H4 121.7(14) . . ?
B5 B4 B3 106.99(15) . . ?
B5 B4 H4 118.8(14) . . ?
B5 B4 B8 108.18(16) . . ?
B5 B4 B9 60.07(13) . . ?
B8 B4 B3 59.56(12) . . ?
B8 B4 H4 127.0(14) . . ?
B8 B4 B9 60.34(13) . . ?
B9 B4 B3 107.35(16) . . ?
B9 B4 H4 125.6(14) . . ?
C1 B5 B4 59.16(12) . . ?
C1 B5 H5 118.7(13) . . ?
C1 B5 B6 57.89(11) . . ?
C1 B5 B9 105.62(16) . . ?
C1 B5 B10 104.98(15) . . ?
B4 B5 H5 120.3(14) . . ?
B4 B5 B6 106.77(15) . . ?
B4 B5 B9 60.09(13) . . ?
B6 B5 H5 120.2(13) . . ?
B9 B5 H5 126.9(13) . . ?
B9 B5 B6 107.24(16) . . ?
B10 B5 B4 108.21(17) . . ?
B10 B5 H5 126.2(14) . . ?
B10 B5 B6 59.48(13) . . ?
B10 B5 B9 60.42(13) . . ?
C1 B6 C2 61.12(12) . . ?
C1 B6 B5 59.05(12) . . ?
C1 B6 H6 117.1(13) . . ?
C1 B6 B10 106.21(15) . . ?
C1 B6 B11 107.30(16) . . ?
C2 B6 B5 109.96(15) . . ?
C2 B6 H6 118.8(13) . . ?
C2 B6 B10 109.19(16) . . ?
B5 B6 H6 118.6(13) . . ?
B10 B6 B5 59.89(13) . . ?
B10 B6 H6 126.1(13) . . ?
B11 B6 C2 59.61(12) . . ?
B11 B6 B5 109.46(16) . . ?
B11 B6 H6 126.2(13) . . ?
B11 B6 B10 61.28(13) . . ?
C2 B7 B3 60.09(12) . . ?
C2 B7 H7 116.2(12) . . ?
C2 B7 B8 108.64(15) . . ?
C2 B7 B11 59.76(12) . . ?
C2 B7 B12 108.61(15) . . ?
B3 B7 H7 119.1(13) . . ?
B3 B7 B8 59.95(12) . . ?
B3 B7 B11 107.51(16) . . ?
B3 B7 B12 107.66(16) . . ?
B8 B7 H7 124.6(13) . . ?
B11 B7 H7 121.3(13) . . ?
B11 B7 B8 108.46(15) . . ?
B11 B7 B12 60.66(12) . . ?
B12 B7 H7 126.5(13) . . ?
B12 B7 B8 59.91(13) . . ?
B3 B8 B4 60.67(12) . . ?
B3 B8 B7 59.08(12) . . ?
B3 B8 H8 120.6(12) . . ?
B3 B8 B9 107.89(16) . . ?
B3 B8 B12 106.90(15) . . ?
B4 B8 B7 108.09(15) . . ?
B4 B8 H8 121.1(12) . . ?
B4 B8 B9 59.93(13) . . ?
B4 B8 B12 107.84(16) . . ?
B7 B8 H8 121.3(12) . . ?
B9 B8 B7 107.87(16) . . ?
B9 B8 H8 123.1(12) . . ?
B12 B8 B7 59.83(12) . . ?
B12 B8 H8 123.3(12) . . ?
B12 B8 B9 59.92(13) . . ?
B4 B9 B8 59.73(13) . . ?
B4 B9 H9 119.5(14) . . ?
B4 B9 B10 107.36(15) . . ?
B4 B9 B12 107.72(15) . . ?
B5 B9 B4 59.84(13) . . ?
B5 B9 B8 107.51(15) . . ?
B5 B9 H9 119.3(14) . . ?
B5 B9 B10 59.59(13) . . ?
B5 B9 B12 107.70(15) . . ?
B8 B9 H9 123.2(14) . . ?
B10 B9 B8 107.55(16) . . ?
B10 B9 H9 122.8(14) . . ?
B12 B9 B8 59.95(13) . . ?
B12 B9 H9 125.0(14) . . ?
B12 B9 B10 59.97(13) . . ?
B5 B10 B9 59.99(13) . . ?
B5 B10 H10 120.4(14) . . ?
B5 B10 B11 108.21(15) . . ?
B5 B10 B12 107.97(16) . . ?
B6 B10 B5 60.63(12) . . ?
B6 B10 B9 107.81(16) . . ?
B6 B10 H10 118.1(13) . . ?
B6 B10 B11 58.97(12) . . ?
B6 B10 B12 106.87(15) . . ?
B9 B10 H10 125.3(13) . . ?
B9 B10 B11 108.08(16) . . ?
B11 B10 H10 120.0(13) . . ?
B12 B10 B9 59.91(13) . . ?
B12 B10 H10 125.1(13) . . ?
B12 B10 B11 60.06(13) . . ?
C2 B11 B6 60.47(12) . . ?
C2 B11 B7 59.55(12) . . ?
C2 B11 B10 108.65(15) . . ?
C2 B11 H11 118.0(13) . . ?
C2 B11 B12 108.12(15) . . ?
B6 B11 B7 107.42(16) . . ?
B6 B11 B10 59.75(12) . . ?
B6 B11 H11 120.3(13) . . ?
B6 B11 B12 107.26(16) . . ?
B7 B11 B10 108.04(16) . . ?
B7 B11 H11 121.6(13) . . ?
B7 B11 B12 60.25(12) . . ?
B10 B11 H11 123.7(13) . . ?
B12 B11 B10 59.77(13) . . ?
B12 B11 H11 125.1(13) . . ?
N1 C11 C12 178.5(2) . . ?
B7 B12 B8 60.26(12) . . ?
B7 B12 B9 108.38(16) . . ?
B7 B12 B10 107.43(15) . . ?
B7 B12 B11 59.09(12) . . ?
B7 B12 H12 121.7(13) . . ?
B8 B12 B10 107.80(16) . . ?
B8 B12 B11 107.49(15) . . ?
B8 B12 H12 123.6(13) . . ?
B9 B12 B8 60.13(13) . . ?
B9 B12 B10 60.11(13) . . ?
B9 B12 B11 108.33(16) . . ?
B9 B12 H12 122.6(13) . . ?
B10 B12 B11 60.17(13) . . ?
B10 B12 H12 120.9(13) . . ?
B11 B12 H12 120.1(13) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C21 C22 177.3(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C100 H10A 110.2 . . ?
P1 C100 H10B 110.2 . . ?
H10A C100 H10B 108.5 . . ?
C200 C100 P1 107.41(13) . . ?
C200 C100 H10A 110.2 . . ?
C200 C100 H10B 110.2 . . ?
C102 C101 P1 122.23(15) . . ?
C102 C101 C106 118.28(19) . . ?
C106 C101 P1 119.22(15) . . ?
C101 C102 H102 119.6 . . ?
C103 C102 C101 120.7(2) . . ?
C103 C102 H102 119.6 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.1(2) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 120.1 . . ?
C103 C104 C105 119.9(2) . . ?
C105 C104 H104 120.1 . . ?
C104 C105 H105 120.0 . . ?
C106 C105 C104 120.0(2) . . ?
C106 C105 H105 120.0 . . ?
C101 C106 H106 119.5 . . ?
C105 C106 C101 120.9(2) . . ?
C105 C106 H106 119.5 . . ?
C112 C111 P1 121.90(16) . . ?
C116 C111 P1 120.10(15) . . ?
C116 C111 C112 117.93(19) . . ?
C111 C112 H112 119.5 . . ?
C113 C112 C111 121.0(2) . . ?
C113 C112 H112 119.5 . . ?
C112 C113 H113 119.9 . . ?
C114 C113 C112 120.2(2) . . ?
C114 C113 H113 119.9 . . ?
C113 C114 H114 120.1 . . ?
C115 C114 C113 119.8(2) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.1(2) . . ?
C116 C115 H115 119.9 . . ?
C111 C116 H116 119.5 . . ?
C115 C116 C111 121.0(2) . . ?
C115 C116 H116 119.5 . . ?
P2 C200 H20A 110.2 . . ?
P2 C200 H20B 110.2 . . ?
C100 C200 P2 107.65(13) . . ?
C100 C200 H20A 110.2 . . ?
C100 C200 H20B 110.2 . . ?
H20A C200 H20B 108.5 . . ?
C202 C201 P2 121.07(15) . . ?
C202 C201 C206 118.7(2) . . ?
C206 C201 P2 120.20(17) . . ?
C201 C202 H202 119.7 . . ?
C201 C202 C203 120.5(2) . . ?
C203 C202 H202 119.7 . . ?
C202 C203 H203 119.9 . . ?
C204 C203 C202 120.2(3) . . ?
C204 C203 H203 119.9 . . ?
C203 C204 H204 120.1 . . ?
C205 C204 C203 119.9(2) . . ?
C205 C204 H204 120.1 . . ?
C204 C205 H205 119.7 . . ?
C204 C205 C206 120.5(2) . . ?
C206 C205 H205 119.7 . . ?
C201 C206 H206 119.9 . . ?
C205 C206 C201 120.2(2) . . ?
C205 C206 H206 119.9 . . ?
C212 C211 P2 120.77(16) . . ?
C216 C211 P2 120.72(15) . . ?
C216 C211 C212 118.18(19) . . ?
C211 C212 H212 119.6 . . ?
C213 C212 C211 120.8(2) . . ?
C213 C212 H212 119.6 . . ?
C212 C213 H213 119.8 . . ?
C214 C213 C212 120.4(2) . . ?
C214 C213 H213 119.8 . . ?
C213 C214 H214 120.2 . . ?
C213 C214 C215 119.6(2) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 119.9 . . ?
C214 C215 C216 120.3(2) . . ?
C216 C215 H215 119.9 . . ?
C211 C216 H216 119.7 . . ?
C215 C216 C211 120.7(2) . . ?
C215 C216 H216 119.7 . . ?
C1 C1' C2' 116.46(16) . . ?
C1 C1' B3' 112.03(15) . . ?
C1 C1' B4' 122.63(16) . . ?
C1 C1' B5' 124.04(16) . . ?
C1 C1' B6' 117.96(15) . . ?
C2' C1' B3' 63.36(12) . . ?
C2' C1' B4' 109.30(14) . . ?
C2' C1' B5' 110.33(15) . . ?
C2' C1' B6' 61.87(12) . . ?
B4' C1' B3' 61.20(12) . . ?
B4' C1' B5' 62.85(13) . . ?
B4' C1' B6' 113.11(15) . . ?
B5' C1' B3' 115.38(15) . . ?
B5' C1' B6' 61.52(13) . . ?
B6' C1' B3' 117.29(14) . . ?
C1' C2' H2' 117.2(14) . . ?
C1' C2' B3' 63.64(12) . . ?
C1' C2' B6' 62.44(12) . . ?
C1' C2' B7' 112.63(16) . . ?
C1' C2' B11' 112.43(17) . . ?
B3' C2' H2' 117.3(14) . . ?
B6' C2' H2' 112.9(14) . . ?
B6' C2' B3' 118.02(16) . . ?
B7' C2' H2' 122.0(14) . . ?
B7' C2' B3' 62.69(12) . . ?
B7' C2' B6' 115.35(17) . . ?
B7' C2' B11' 63.75(14) . . ?
B11' C2' H2' 117.7(14) . . ?
B11' C2' B3' 117.04(16) . . ?
B11' C2' B6' 62.05(13) . . ?
C1' B3' Ru1 114.84(12) . . ?
C1' B3' B7' 97.89(14) . . ?
C2' B3' Ru1 119.26(13) . . ?
C2' B3' C1' 53.00(11) . . ?
C2' B3' B7' 54.92(11) . . ?
B4' B3' Ru1 124.95(13) . . ?
B4' B3' C1' 56.32(11) . . ?
B4' B3' C2' 97.47(14) . . ?
B4' B3' B7' 103.03(15) . . ?
B7' B3' Ru1 131.19(14) . . ?
B8' B3' Ru1 139.01(14) . . ?
B8' B3' C1' 100.12(14) . . ?
B8' B3' C2' 98.40(15) . . ?
B8' B3' B4' 58.80(12) . . ?
B8' B3' B7' 58.37(13) . . ?
C1' B4' B3' 62.48(12) . . ?
C1' B4' H4' 119.0(13) . . ?
C1' B4' B5' 58.93(12) . . ?
C1' B4' B8' 105.95(16) . . ?
C1' B4' B9' 105.12(16) . . ?
B3' B4' H4' 118.1(13) . . ?
B5' B4' B3' 113.15(16) . . ?
B5' B4' H4' 116.4(13) . . ?
B8' B4' B3' 60.54(13) . . ?
B8' B4' H4' 127.6(13) . . ?
B8' B4' B5' 108.93(16) . . ?
B8' B4' B9' 60.52(13) . . ?
B9' B4' B3' 111.35(16) . . ?
B9' B4' H4' 124.4(13) . . ?
B9' B4' B5' 59.92(13) . . ?
C1' B5' B4' 58.22(12) . . ?
C1' B5' H5' 116.6(14) . . ?
C1' B5' B6' 59.81(13) . . ?
C1' B5' B9' 104.21(16) . . ?
C1' B5' B10' 105.02(16) . . ?
B4' B5' H5' 119.9(14) . . ?
B6' B5' B4' 107.95(16) . . ?
B6' B5' H5' 118.1(14) . . ?
B6' B5' B9' 107.26(16) . . ?
B6' B5' B10' 59.21(14) . . ?
B9' B5' B4' 59.45(13) . . ?
B9' B5' H5' 129.6(14) . . ?
B9' B5' B10' 60.02(14) . . ?
B10' B5' B4' 107.52(16) . . ?
B10' B5' H5' 128.2(14) . . ?
C1' B6' B5' 58.67(12) . . ?
C1' B6' H6' 118.8(13) . . ?
C1' B6' B10' 105.36(16) . . ?
C1' B6' B11' 103.75(15) . . ?
C2' B6' C1' 55.69(11) . . ?
C2' B6' B5' 103.17(16) . . ?
C2' B6' H6' 119.4(13) . . ?
C2' B6' B10' 104.31(16) . . ?
C2' B6' B11' 58.08(13) . . ?
B5' B6' H6' 124.4(13) . . ?
B10' B6' B5' 60.77(14) . . ?
B10' B6' H6' 129.8(13) . . ?
B10' B6' B11' 60.52(14) . . ?
B11' B6' B5' 108.30(17) . . ?
B11' B6' H6' 123.8(13) . . ?
C2' B7' B3' 62.39(12) . . ?
C2' B7' H7' 119.0(13) . . ?
C2' B7' B8' 105.22(16) . . ?
C2' B7' B11' 58.76(13) . . ?
C2' B7' B12' 104.40(16) . . ?
B3' B7' H7' 116.5(13) . . ?
B8' B7' B3' 60.13(13) . . ?
B8' B7' H7' 127.2(13) . . ?
B8' B7' B11' 107.98(17) . . ?
B8' B7' B12' 60.21(14) . . ?
B11' B7' B3' 112.64(15) . . ?
B11' B7' H7' 118.7(13) . . ?
B12' B7' B3' 110.63(16) . . ?
B12' B7' H7' 126.3(13) . . ?
B12' B7' B11' 59.38(14) . . ?
B3' B8' H8' 118.9(14) . . ?
B4' B8' B3' 60.66(12) . . ?
B4' B8' H8' 122.7(14) . . ?
B4' B8' B9' 59.79(13) . . ?
B4' B8' B12' 107.69(16) . . ?
B7' B8' B3' 61.50(13) . . ?
B7' B8' B4' 106.81(16) . . ?
B7' B8' H8' 122.5(14) . . ?
B7' B8' B9' 107.63(16) . . ?
B7' B8' B12' 60.30(14) . . ?
B9' B8' B3' 110.85(15) . . ?
B9' B8' H8' 121.0(14) . . ?
B12' B8' B3' 111.85(17) . . ?
B12' B8' H8' 120.6(14) . . ?
B12' B8' B9' 59.98(14) . . ?
B4' B9' B5' 60.63(13) . . ?
B4' B9' B8' 59.69(13) . . ?
B4' B9' H9' 121.4(14) . . ?
B4' B9' B10' 108.63(17) . . ?
B4' B9' B12' 107.56(17) . . ?
B5' B9' B8' 108.83(17) . . ?
B5' B9' H9' 120.6(13) . . ?
B5' B9' B10' 60.24(14) . . ?
B5' B9' B12' 108.57(18) . . ?
B8' B9' H9' 121.7(14) . . ?
B8' B9' B10' 108.97(18) . . ?
B10' B9' H9' 121.1(14) . . ?
B12' B9' B8' 59.93(13) . . ?
B12' B9' H9' 122.3(14) . . ?
B12' B9' B10' 60.59(14) . . ?
B5' B10' H10' 119.1(14) . . ?
B5' B10' B12' 107.41(16) . . ?
B6' B10' B5' 60.02(13) . . ?
B6' B10' B9' 107.69(17) . . ?
B6' B10' H10' 118.2(14) . . ?
B6' B10' B11' 60.10(14) . . ?
B6' B10' B12' 107.67(17) . . ?
B9' B10' B5' 59.74(14) . . ?
B9' B10' H10' 123.8(15) . . ?
B9' B10' B12' 59.63(14) . . ?
B11' B10' B5' 107.39(17) . . ?
B11' B10' B9' 106.70(17) . . ?
B11' B10' H10' 123.1(14) . . ?
B11' B10' B12' 59.19(14) . . ?
B12' B10' H10' 126.0(14) . . ?
C2' B11' B6' 59.86(13) . . ?
C2' B11' B7' 57.49(12) . . ?
C2' B11' B10' 104.78(16) . . ?
C2' B11' H11' 114.7(13) . . ?
C2' B11' B12' 104.04(16) . . ?
B6' B11' B7' 108.37(16) . . ?
B6' B11' B10' 59.37(14) . . ?
B6' B11' H11' 117.8(13) . . ?
B7' B11' H11' 117.2(13) . . ?
B10' B11' B7' 108.70(17) . . ?
B10' B11' H11' 130.5(13) . . ?
B12' B11' B6' 108.48(17) . . ?
B12' B11' B7' 60.17(14) . . ?
B12' B11' B10' 60.92(14) . . ?
B12' B11' H11' 129.9(13) . . ?
B7' B12' B10' 108.10(17) . . ?
B7' B12' H12' 118.7(14) . . ?
B8' B12' B7' 59.49(13) . . ?
B8' B12' B9' 60.09(13) . . ?
B8' B12' B10' 108.44(16) . . ?
B8' B12' H12' 120.1(14) . . ?
B9' B12' B7' 107.08(16) . . ?
B9' B12' B10' 59.77(14) . . ?
B9' B12' H12' 124.8(14) . . ?
B10' B12' H12' 124.4(14) . . ?
B11' B12' B7' 60.45(14) . . ?
B11' B12' B8' 108.27(16) . . ?
B11' B12' B9' 107.37(17) . . ?
B11' B12' B10' 59.89(14) . . ?
B11' B12' H12' 120.9(14) . . ?
H10C C10S H10D 109.5 . . ?
H10C C10S H10E 109.5 . . ?
H10D C10S H10E 109.5 . . ?
C11S C10S H10C 109.5 . . ?
C11S C10S H10D 109.5 . . ?
C11S C10S H10E 109.5 . . ?
N12S C11S C10S 178.0(5) . . ?
N12T C11T C11S 168(4) . . ?
H7SA C7S H7SB 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 109.5 . . ?
C8S C7S H7SA 109.5 . . ?
C8S C7S H7SB 109.5 . . ?
C8S C7S H7SC 109.5 . . ?
N9S C8S C7S 179.3(5) . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
N3S C2S C1S 174.6(10) . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
C5S C4S H4SA 109.5 . . ?
C5S C4S H4SB 109.5 . . ?
C5S C4S H4SC 109.5 . . ?
N6S C5S C4S 174.0(12) . . ?

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 B3 B4 34.03(14) . . . . ?
C1 C2 B3 B7 134.84(15) . . . . ?
C1 C2 B3 B8 97.80(16) . . . . ?
C1 C2 B6 B5 -34.40(14) . . . . ?
C1 C2 B6 B10 -98.38(16) . . . . ?
C1 C2 B6 B11 -135.81(15) . . . . ?
C1 C2 B7 B3 -38.85(13) . . . . ?
C1 C2 B7 B8 -2.34(19) . . . . ?
C1 C2 B7 B11 98.63(15) . . . . ?
C1 C2 B7 B12 61.26(18) . . . . ?
C1 C2 B11 B6 37.52(13) . . . . ?
C1 C2 B11 B7 -99.54(15) . . . . ?
C1 C2 B11 B10 0.87(19) . . . . ?
C1 C2 B11 B12 -62.47(18) . . . . ?
C1 B3 B4 B5 34.41(14) . . . . ?
C1 B3 B4 B8 135.88(16) . . . . ?
C1 B3 B4 B9 97.59(17) . . . . ?
C1 B3 B7 C2 40.28(13) . . . . ?
C1 B3 B7 B8 -99.08(16) . . . . ?
C1 B3 B7 B11 2.52(18) . . . . ?
C1 B3 B7 B12 -61.44(18) . . . . ?
C1 B3 B8 B4 -38.23(14) . . . . ?
C1 B3 B8 B7 100.52(16) . . . . ?
C1 B3 B8 B9 0.0(2) . . . . ?
C1 B3 B8 B12 63.11(19) . . . . ?
C1 B4 B5 B6 34.26(14) . . . . ?
C1 B4 B5 B9 134.85(16) . . . . ?
C1 B4 B5 B10 96.92(16) . . . . ?
C1 B4 B8 B3 37.89(14) . . . . ?
C1 B4 B8 B7 1.4(2) . . . . ?
C1 B4 B8 B9 -99.22(17) . . . . ?
C1 B4 B8 B12 -61.86(18) . . . . ?
C1 B4 B9 B5 -38.93(14) . . . . ?
C1 B4 B9 B8 98.99(16) . . . . ?
C1 B4 B9 B10 -1.6(2) . . . . ?
C1 B4 B9 B12 61.65(19) . . . . ?
C1 B5 B6 C2 35.23(14) . . . . ?
C1 B5 B6 B10 136.40(17) . . . . ?
C1 B5 B6 B11 98.97(17) . . . . ?
C1 B5 B9 B4 39.20(14) . . . . ?
C1 B5 B9 B8 1.8(2) . . . . ?
C1 B5 B9 B10 -98.62(16) . . . . ?
C1 B5 B9 B12 -61.40(19) . . . . ?
C1 B5 B10 B6 -37.20(14) . . . . ?
C1 B5 B10 B9 99.71(17) . . . . ?
C1 B5 B10 B11 -1.1(2) . . . . ?
C1 B5 B10 B12 62.45(18) . . . . ?
C1 B6 B10 B5 38.02(15) . . . . ?
C1 B6 B10 B9 -0.4(2) . . . . ?
C1 B6 B10 B11 -101.17(17) . . . . ?
C1 B6 B10 B12 -63.47(19) . . . . ?
C1 B6 B11 C2 -39.74(13) . . . . ?
C1 B6 B11 B7 -1.75(19) . . . . ?
C1 B6 B11 B10 99.37(16) . . . . ?
C1 B6 B11 B12 61.70(18) . . . . ?
C1 C1' C2' B3' 102.65(17) . . . . ?
C1 C1' C2' B6' -109.14(18) . . . . ?
C1 C1' C2' B7' 143.06(17) . . . . ?
C1 C1' C2' B11' -147.20(17) . . . . ?
C1 C1' B3' Ru1 -0.6(2) . . . . ?
C1 C1' B3' C2' -109.56(18) . . . . ?
C1 C1' B3' B4' 116.19(17) . . . . ?
C1 C1' B3' B7' -143.37(16) . . . . ?
C1 C1' B3' B8' 157.50(16) . . . . ?
C1 C1' B4' B3' -98.99(18) . . . . ?
C1 C1' B4' B5' 114.75(19) . . . . ?
C1 C1' B4' B8' -142.45(17) . . . . ?
C1 C1' B4' B9' 154.49(17) . . . . ?
C1 C1' B5' B4' -112.6(2) . . . . ?
C1 C1' B5' B6' 106.10(19) . . . . ?
C1 C1' B5' B9' -151.96(18) . . . . ?
C1 C1' B5' B10' 145.80(18) . . . . ?
C1 C1' B6' C2' 106.75(19) . . . . ?
C1 C1' B6' B5' -115.66(18) . . . . ?
C1 C1' B6' B10' -156.19(17) . . . . ?
C1 C1' B6' B11' 141.07(17) . . . . ?
P1 C100 C200 P2 -59.12(15) . . . . ?
P1 C101 C102 C103 -173.9(2) . . . . ?
P1 C101 C106 C105 173.05(17) . . . . ?
P1 C111 C112 C113 -177.3(2) . . . . ?
P1 C111 C116 C115 177.16(16) . . . . ?
Ru1 P1 C100 C200 51.18(14) . . . . ?
Ru1 P1 C101 C102 81.17(19) . . . . ?
Ru1 P1 C101 C106 -92.90(17) . . . . ?
Ru1 P1 C111 C112 -143.71(17) . . . . ?
Ru1 P1 C111 C116 39.32(18) . . . . ?
Ru1 C2 B3 C1 104.08(14) . . . . ?
Ru1 C2 B3 B4 138.11(14) . . . . ?
Ru1 C2 B3 B7 -121.07(15) . . . . ?
Ru1 C2 B3 B8 -158.12(13) . . . . ?
Ru1 C2 B6 C1 -104.33(14) . . . . ?
Ru1 C2 B6 B5 -138.73(13) . . . . ?
Ru1 C2 B6 B10 157.29(13) . . . . ?
Ru1 C2 B6 B11 119.86(15) . . . . ?
Ru1 C2 B7 B3 105.49(17) . . . . ?
Ru1 C2 B7 B8 142.00(14) . . . . ?
Ru1 C2 B7 B11 -117.04(17) . . . . ?
Ru1 C2 B7 B12 -154.40(14) . . . . ?
Ru1 C2 B11 B6 -104.01(17) . . . . ?
Ru1 C2 B11 B7 118.93(17) . . . . ?
Ru1 C2 B11 B10 -140.66(14) . . . . ?
Ru1 C2 B11 B12 156.00(14) . . . . ?
Ru1 P2 C200 C100 39.68(14) . . . . ?
Ru1 P2 C201 C202 16.16(19) . . . . ?
Ru1 P2 C201 C206 -164.68(14) . . . . ?
Ru1 P2 C211 C212 -104.55(16) . . . . ?
Ru1 P2 C211 C216 68.77(17) . . . . ?
Ru1 B3' B4' C1' 98.63(16) . . . . ?
Ru1 B3' B4' B5' 129.79(16) . . . . ?
Ru1 B3' B4' B8' -130.80(18) . . . . ?
Ru1 B3' B4' B9' -164.93(14) . . . . ?
Ru1 B3' B7' C2' -100.33(19) . . . . ?
Ru1 B3' B7' B8' 129.72(19) . . . . ?
Ru1 B3' B7' B11' -131.87(18) . . . . ?
Ru1 B3' B7' B12' 163.77(15) . . . . ?
Ru1 B3' B8' B4' 108.9(2) . . . . ?
Ru1 B3' B8' B7' -118.1(2) . . . . ?
Ru1 B3' B8' B9' 142.63(18) . . . . ?
Ru1 B3' B8' B12' -152.46(17) . . . . ?
C2 C1 B3 B4 -142.03(15) . . . . ?
C2 C1 B3 B7 -39.61(13) . . . . ?
C2 C1 B3 B8 -103.36(16) . . . . ?
C2 C1 B4 B3 35.48(14) . . . . ?
C2 C1 B4 B5 -105.32(16) . . . . ?
C2 C1 B4 B8 -3.0(2) . . . . ?
C2 C1 B4 B9 -65.75(19) . . . . ?
C2 C1 B5 B4 104.25(17) . . . . ?
C2 C1 B5 B6 -36.23(15) . . . . ?
C2 C1 B5 B9 64.60(19) . . . . ?
C2 C1 B5 B10 1.7(2) . . . . ?
C2 C1 B6 B5 141.74(15) . . . . ?
C2 C1 B6 B10 103.33(16) . . . . ?
C2 C1 B6 B11 39.03(13) . . . . ?
C2 C1 C1' C2' -70.3(2) . . . . ?
C2 C1 C1' B3' -0.1(2) . . . . ?
C2 C1 C1' B4' 68.9(2) . . . . ?
C2 C1 C1' B5' 146.10(17) . . . . ?
C2 C1 C1' B6' -140.93(16) . . . . ?
C2 B3 B4 C1 -34.86(14) . . . . ?
C2 B3 B4 B5 -0.4(2) . . . . ?
C2 B3 B4 B8 101.03(17) . . . . ?
C2 B3 B4 B9 62.73(19) . . . . ?
C2 B3 B7 B8 -139.36(16) . . . . ?
C2 B3 B7 B11 -37.76(13) . . . . ?
C2 B3 B7 B12 -101.73(16) . . . . ?
C2 B3 B8 B4 -102.32(17) . . . . ?
C2 B3 B8 B7 36.43(15) . . . . ?
C2 B3 B8 B9 -64.1(2) . . . . ?
C2 B3 B8 B12 -1.0(2) . . . . ?
C2 B6 B10 B5 102.47(17) . . . . ?
C2 B6 B10 B9 64.1(2) . . . . ?
C2 B6 B10 B11 -36.73(15) . . . . ?
C2 B6 B10 B12 1.0(2) . . . . ?
C2 B6 B11 B7 37.99(13) . . . . ?
C2 B6 B11 B10 139.11(16) . . . . ?
C2 B6 B11 B12 101.43(16) . . . . ?
C2 B7 B8 B3 -36.57(14) . . . . ?
C2 B7 B8 B4 0.6(2) . . . . ?
C2 B7 B8 B9 63.98(19) . . . . ?
C2 B7 B8 B12 101.18(17) . . . . ?
C2 B7 B11 B6 -38.40(13) . . . . ?
C2 B7 B11 B10 -101.46(16) . . . . ?
C2 B7 B11 B12 -138.71(16) . . . . ?
C2 B7 B12 B8 -101.22(17) . . . . ?
C2 B7 B12 B9 -63.81(19) . . . . ?
C2 B7 B12 B10 -0.3(2) . . . . ?
C2 B7 B12 B11 36.98(15) . . . . ?
C2 B11 B12 B7 -36.76(14) . . . . ?
C2 B11 B12 B8 0.6(2) . . . . ?
C2 B11 B12 B9 64.12(19) . . . . ?
C2 B11 B12 B10 101.47(17) . . . . ?
P2 C201 C202 C203 -179.89(17) . . . . ?
P2 C201 C206 C205 -179.80(17) . . . . ?
P2 C211 C212 C213 173.28(16) . . . . ?
P2 C211 C216 C215 -173.23(16) . . . . ?
B3 C1 C2 Ru1 -110.17(14) . . . . ?
B3 C1 C2 B6 141.43(15) . . . . ?
B3 C1 C2 B7 39.73(14) . . . . ?
B3 C1 C2 B11 102.83(15) . . . . ?
B3 C1 B4 B5 -140.79(16) . . . . ?
B3 C1 B4 B8 -38.45(14) . . . . ?
B3 C1 B4 B9 -101.23(17) . . . . ?
B3 C1 B5 B4 37.72(16) . . . . ?
B3 C1 B5 B6 -102.77(17) . . . . ?
B3 C1 B5 B9 -1.9(2) . . . . ?
B3 C1 B5 B10 -64.82(19) . . . . ?
B3 C1 B6 C2 -35.57(14) . . . . ?
B3 C1 B6 B5 106.17(16) . . . . ?
B3 C1 B6 B10 67.76(18) . . . . ?
B3 C1 B6 B11 3.46(19) . . . . ?
B3 C1 C1' C2' -2.5(2) . . . . ?
B3 C1 C1' B3' 67.7(2) . . . . ?
B3 C1 C1' B4' 136.67(17) . . . . ?
B3 C1 C1' B5' -146.11(17) . . . . ?
B3 C1 C1' B6' -73.1(2) . . . . ?
B3 C2 B6 C1 33.69(14) . . . . ?
B3 C2 B6 B5 -0.71(19) . . . . ?
B3 C2 B6 B10 -64.68(18) . . . . ?
B3 C2 B6 B11 -102.12(15) . . . . ?
B3 C2 B7 B8 36.51(14) . . . . ?
B3 C2 B7 B11 137.48(15) . . . . ?
B3 C2 B7 B12 100.11(17) . . . . ?
B3 C2 B11 B6 98.79(16) . . . . ?
B3 C2 B11 B7 -38.27(14) . . . . ?
B3 C2 B11 B10 62.14(19) . . . . ?
B3 C2 B11 B12 -1.2(2) . . . . ?
B3 B4 B5 C1 -34.25(14) . . . . ?
B3 B4 B5 B6 0.0(2) . . . . ?
B3 B4 B5 B9 100.60(17) . . . . ?
B3 B4 B5 B10 62.67(19) . . . . ?
B3 B4 B8 B7 -36.51(15) . . . . ?
B3 B4 B8 B9 -137.11(16) . . . . ?
B3 B4 B8 B12 -99.75(16) . . . . ?
B3 B4 B9 B5 -99.98(17) . . . . ?
B3 B4 B9 B8 37.94(15) . . . . ?
B3 B4 B9 B10 -62.6(2) . . . . ?
B3 B4 B9 B12 0.6(2) . . . . ?
B3 B7 B8 B4 37.20(15) . . . . ?
B3 B7 B8 B9 100.55(17) . . . . ?
B3 B7 B8 B12 137.75(17) . . . . ?
B3 B7 B11 C2 37.90(13) . . . . ?
B3 B7 B11 B6 -0.50(19) . . . . ?
B3 B7 B11 B10 -63.56(18) . . . . ?
B3 B7 B11 B12 -100.81(16) . . . . ?
B3 B7 B12 B8 -37.65(15) . . . . ?
B3 B7 B12 B9 -0.2(2) . . . . ?
B3 B7 B12 B10 63.3(2) . . . . ?
B3 B7 B12 B11 100.56(17) . . . . ?
B3 B8 B9 B4 -38.57(15) . . . . ?
B3 B8 B9 B5 -1.2(2) . . . . ?
B3 B8 B9 B10 61.7(2) . . . . ?
B3 B8 B9 B12 99.55(16) . . . . ?
B3 B8 B12 B7 37.07(15) . . . . ?
B3 B8 B12 B9 -101.25(17) . . . . ?
B3 B8 B12 B10 -63.24(19) . . . . ?
B3 B8 B12 B11 0.2(2) . . . . ?
B4 C1 C2 Ru1 -146.53(13) . . . . ?
B4 C1 C2 B3 -36.36(15) . . . . ?
B4 C1 C2 B6 105.07(16) . . . . ?
B4 C1 C2 B7 3.38(19) . . . . ?
B4 C1 C2 B11 66.47(18) . . . . ?
B4 C1 B3 C2 142.03(15) . . . . ?
B4 C1 B3 B7 102.42(16) . . . . ?
B4 C1 B3 B8 38.67(15) . . . . ?
B4 C1 B5 B6 -140.48(17) . . . . ?
B4 C1 B5 B9 -39.65(15) . . . . ?
B4 C1 B5 B10 -102.53(17) . . . . ?
B4 C1 B6 C2 -103.99(16) . . . . ?
B4 C1 B6 B5 37.75(16) . . . . ?
B4 C1 B6 B10 -0.7(2) . . . . ?
B4 C1 B6 B11 -64.96(19) . . . . ?
B4 C1 C1' C2' 72.5(2) . . . . ?
B4 C1 C1' B3' 142.69(17) . . . . ?
B4 C1 C1' B4' -148.29(18) . . . . ?
B4 C1 C1' B5' -71.1(3) . . . . ?
B4 C1 C1' B6' 1.9(3) . . . . ?
B4 B3 B7 C2 102.34(16) . . . . ?
B4 B3 B7 B8 -37.02(15) . . . . ?
B4 B3 B7 B11 64.58(18) . . . . ?
B4 B3 B7 B12 0.6(2) . . . . ?
B4 B3 B8 B7 138.75(17) . . . . ?
B4 B3 B8 B9 38.24(15) . . . . ?
B4 B3 B8 B12 101.34(17) . . . . ?
B4 B5 B6 C1 -34.79(15) . . . . ?
B4 B5 B6 C2 0.4(2) . . . . ?
B4 B5 B6 B10 101.61(17) . . . . ?
B4 B5 B6 B11 64.18(19) . . . . ?
B4 B5 B9 B8 -37.37(15) . . . . ?
B4 B5 B9 B10 -137.82(16) . . . . ?
B4 B5 B9 B12 -100.60(17) . . . . ?
B4 B5 B10 B6 -99.13(16) . . . . ?
B4 B5 B10 B9 37.78(14) . . . . ?
B4 B5 B10 B11 -63.01(19) . . . . ?
B4 B5 B10 B12 0.53(19) . . . . ?
B4 B8 B9 B5 37.42(15) . . . . ?
B4 B8 B9 B10 100.24(17) . . . . ?
B4 B8 B9 B12 138.13(16) . . . . ?
B4 B8 B12 B7 100.96(16) . . . . ?
B4 B8 B12 B9 -37.36(14) . . . . ?
B4 B8 B12 B10 0.65(19) . . . . ?
B4 B8 B12 B11 64.13(19) . . . . ?
B4 B9 B10 B5 -37.46(15) . . . . ?
B4 B9 B10 B6 1.2(2) . . . . ?
B4 B9 B10 B11 63.6(2) . . . . ?
B4 B9 B10 B12 100.81(17) . . . . ?
B4 B9 B12 B7 -0.2(2) . . . . ?
B4 B9 B12 B8 37.24(15) . . . . ?
B4 B9 B12 B10 -100.20(17) . . . . ?
B4 B9 B12 B11 -62.8(2) . . . . ?
B5 C1 C2 Ru1 145.35(13) . . . . ?
B5 C1 C2 B3 -104.48(17) . . . . ?
B5 C1 C2 B6 36.95(15) . . . . ?
B5 C1 C2 B7 -64.75(18) . . . . ?
B5 C1 C2 B11 -1.66(19) . . . . ?
B5 C1 B3 C2 104.59(16) . . . . ?
B5 C1 B3 B4 -37.44(16) . . . . ?
B5 C1 B3 B7 64.98(19) . . . . ?
B5 C1 B3 B8 1.2(2) . . . . ?
B5 C1 B4 B3 140.79(16) . . . . ?
B5 C1 B4 B8 102.34(17) . . . . ?
B5 C1 B4 B9 39.56(15) . . . . ?
B5 C1 B6 C2 -141.74(15) . . . . ?
B5 C1 B6 B10 -38.41(15) . . . . ?
B5 C1 B6 B11 -102.71(16) . . . . ?
B5 C1 C1' C2' 148.74(17) . . . . ?
B5 C1 C1' B3' -141.07(17) . . . . ?
B5 C1 C1' B4' -72.1(2) . . . . ?
B5 C1 C1' B5' 5.2(3) . . . . ?
B5 C1 C1' B6' 78.1(2) . . . . ?
B5 B4 B8 B3 99.42(16) . . . . ?
B5 B4 B8 B7 62.91(19) . . . . ?
B5 B4 B8 B9 -37.69(14) . . . . ?
B5 B4 B8 B12 -0.33(19) . . . . ?
B5 B4 B9 B8 137.92(16) . . . . ?
B5 B4 B9 B10 37.35(15) . . . . ?
B5 B4 B9 B12 100.58(17) . . . . ?
B5 B6 B10 B9 -38.41(15) . . . . ?
B5 B6 B10 B11 -139.19(17) . . . . ?
B5 B6 B10 B12 -101.49(17) . . . . ?
B5 B6 B11 C2 -102.27(16) . . . . ?
B5 B6 B11 B7 -64.28(18) . . . . ?
B5 B6 B11 B10 36.84(15) . . . . ?
B5 B6 B11 B12 -0.8(2) . . . . ?
B5 B9 B10 B6 38.70(15) . . . . ?
B5 B9 B10 B11 101.01(16) . . . . ?
B5 B9 B10 B12 138.27(16) . . . . ?
B5 B9 B12 B7 62.9(2) . . . . ?
B5 B9 B12 B8 100.39(17) . . . . ?
B5 B9 B12 B10 -37.05(15) . . . . ?
B5 B9 B12 B11 0.3(2) . . . . ?
B5 B10 B11 C2 0.1(2) . . . . ?
B5 B10 B11 B6 -36.84(15) . . . . ?
B5 B10 B11 B7 63.21(19) . . . . ?
B5 B10 B11 B12 100.68(17) . . . . ?
B5 B10 B12 B7 -64.29(19) . . . . ?
B5 B10 B12 B8 -0.73(19) . . . . ?
B5 B10 B12 B9 37.29(14) . . . . ?
B5 B10 B12 B11 -101.09(16) . . . . ?
B6 C1 C2 Ru1 108.40(14) . . . . ?
B6 C1 C2 B3 -141.43(15) . . . . ?
B6 C1 C2 B7 -101.69(15) . . . . ?
B6 C1 C2 B11 -38.60(14) . . . . ?
B6 C1 B3 C2 35.86(14) . . . . ?
B6 C1 B3 B4 -106.17(16) . . . . ?
B6 C1 B3 B7 -3.75(19) . . . . ?
B6 C1 B3 B8 -67.50(18) . . . . ?
B6 C1 B4 B3 102.65(17) . . . . ?
B6 C1 B4 B5 -38.14(16) . . . . ?
B6 C1 B4 B8 64.2(2) . . . . ?
B6 C1 B4 B9 1.4(2) . . . . ?
B6 C1 B5 B4 140.48(17) . . . . ?
B6 C1 B5 B9 100.83(17) . . . . ?
B6 C1 B5 B10 37.95(15) . . . . ?
B6 C1 C1' C2' -138.20(16) . . . . ?
B6 C1 C1' B3' -68.0(2) . . . . ?
B6 C1 C1' B4' 1.0(2) . . . . ?
B6 C1 C1' B5' 78.2(2) . . . . ?
B6 C1 C1' B6' 151.20(16) . . . . ?
B6 C2 B3 C1 -33.32(13) . . . . ?
B6 C2 B3 B4 0.71(19) . . . . ?
B6 C2 B3 B7 101.52(15) . . . . ?
B6 C2 B3 B8 64.48(18) . . . . ?
B6 C2 B7 B3 -99.21(15) . . . . ?
B6 C2 B7 B8 -62.69(18) . . . . ?
B6 C2 B7 B11 38.27(14) . . . . ?
B6 C2 B7 B12 0.9(2) . . . . ?
B6 C2 B11 B7 -137.06(16) . . . . ?
B6 C2 B11 B10 -36.65(15) . . . . ?
B6 C2 B11 B12 -99.99(17) . . . . ?
B6 B5 B9 B4 99.79(16) . . . . ?
B6 B5 B9 B8 62.4(2) . . . . ?
B6 B5 B9 B10 -38.04(15) . . . . ?
B6 B5 B9 B12 -0.8(2) . . . . ?
B6 B5 B10 B9 136.91(16) . . . . ?
B6 B5 B10 B11 36.12(15) . . . . ?
B6 B5 B10 B12 99.65(16) . . . . ?
B6 B10 B11 C2 36.95(15) . . . . ?
B6 B10 B11 B7 100.05(17) . . . . ?
B6 B10 B11 B12 137.51(17) . . . . ?
B6 B10 B12 B7 -0.4(2) . . . . ?
B6 B10 B12 B8 63.14(19) . . . . ?
B6 B10 B12 B9 101.16(17) . . . . ?
B6 B10 B12 B11 -37.22(15) . . . . ?
B6 B11 B12 B7 -100.57(17) . . . . ?
B6 B11 B12 B8 -63.21(19) . . . . ?
B6 B11 B12 B9 0.3(2) . . . . ?
B6 B11 B12 B10 37.66(15) . . . . ?
B7 C2 B3 C1 -134.84(15) . . . . ?
B7 C2 B3 B4 -100.82(17) . . . . ?
B7 C2 B3 B8 -37.04(15) . . . . ?
B7 C2 B6 C1 97.20(15) . . . . ?
B7 C2 B6 B5 62.80(19) . . . . ?
B7 C2 B6 B10 -1.2(2) . . . . ?
B7 C2 B6 B11 -38.61(14) . . . . ?
B7 C2 B11 B6 137.06(15) . . . . ?
B7 C2 B11 B10 100.42(17) . . . . ?
B7 C2 B11 B12 37.07(15) . . . . ?
B7 B3 B4 C1 -98.34(16) . . . . ?
B7 B3 B4 B5 -63.93(19) . . . . ?
B7 B3 B4 B8 37.54(15) . . . . ?
B7 B3 B4 B9 -0.8(2) . . . . ?
B7 B3 B8 B4 -138.75(17) . . . . ?
B7 B3 B8 B9 -100.51(17) . . . . ?
B7 B3 B8 B12 -37.41(15) . . . . ?
B7 B8 B9 B4 -100.97(17) . . . . ?
B7 B8 B9 B5 -63.6(2) . . . . ?
B7 B8 B9 B10 -0.7(2) . . . . ?
B7 B8 B9 B12 37.15(15) . . . . ?
B7 B8 B12 B9 -138.33(16) . . . . ?
B7 B8 B12 B10 -100.31(16) . . . . ?
B7 B8 B12 B11 -36.84(15) . . . . ?
B7 B11 B12 B8 37.36(15) . . . . ?
B7 B11 B12 B9 100.89(17) . . . . ?
B7 B11 B12 B10 138.23(17) . . . . ?
B8 B3 B4 C1 -135.88(16) . . . . ?
B8 B3 B4 B5 -101.47(17) . . . . ?
B8 B3 B4 B9 -38.29(15) . . . . ?
B8 B3 B7 C2 139.36(16) . . . . ?
B8 B3 B7 B11 101.60(16) . . . . ?
B8 B3 B7 B12 37.63(15) . . . . ?
B8 B4 B5 C1 -97.04(16) . . . . ?
B8 B4 B5 B6 -62.79(19) . . . . ?
B8 B4 B5 B9 37.81(14) . . . . ?
B8 B4 B5 B10 -0.12(19) . . . . ?
B8 B4 B9 B5 -137.92(16) . . . . ?
B8 B4 B9 B10 -100.56(17) . . . . ?
B8 B4 B9 B12 -37.34(15) . . . . ?
B8 B7 B11 C2 101.27(16) . . . . ?
B8 B7 B11 B6 62.87(18) . . . . ?
B8 B7 B11 B10 -0.2(2) . . . . ?
B8 B7 B11 B12 -37.44(15) . . . . ?
B8 B7 B12 B9 37.41(15) . . . . ?
B8 B7 B12 B10 100.92(18) . . . . ?
B8 B7 B12 B11 138.20(17) . . . . ?
B8 B9 B10 B5 -100.39(17) . . . . ?
B8 B9 B10 B6 -61.7(2) . . . . ?
B8 B9 B10 B11 0.6(2) . . . . ?
B8 B9 B10 B12 37.88(15) . . . . ?
B8 B9 B12 B7 -37.47(15) . . . . ?
B8 B9 B12 B10 -137.44(16) . . . . ?
B8 B9 B12 B11 -100.07(16) . . . . ?
B9 B4 B5 C1 -134.85(16) . . . . ?
B9 B4 B5 B6 -100.59(17) . . . . ?
B9 B4 B5 B10 -37.93(15) . . . . ?
B9 B4 B8 B3 137.11(16) . . . . ?
B9 B4 B8 B7 100.59(17) . . . . ?
B9 B4 B8 B12 37.36(14) . . . . ?
B9 B5 B6 C1 -97.94(17) . . . . ?
B9 B5 B6 C2 -62.71(19) . . . . ?
B9 B5 B6 B10 38.46(15) . . . . ?
B9 B5 B6 B11 1.0(2) . . . . ?
B9 B5 B10 B6 -136.91(16) . . . . ?
B9 B5 B10 B11 -100.79(17) . . . . ?
B9 B5 B10 B12 -37.26(14) . . . . ?
B9 B8 B12 B7 138.33(16) . . . . ?
B9 B8 B12 B10 38.01(14) . . . . ?
B9 B8 B12 B11 101.49(17) . . . . ?
B9 B10 B11 C2 -63.36(19) . . . . ?
B9 B10 B11 B6 -100.32(17) . . . . ?
B9 B10 B11 B7 -0.3(2) . . . . ?
B9 B10 B11 B12 37.19(15) . . . . ?
B9 B10 B12 B7 -101.58(17) . . . . ?
B9 B10 B12 B8 -38.02(14) . . . . ?
B9 B10 B12 B11 -138.38(16) . . . . ?
B10 B5 B6 C1 -136.40(17) . . . . ?
B10 B5 B6 C2 -101.17(17) . . . . ?
B10 B5 B6 B11 -37.43(15) . . . . ?
B10 B5 B9 B4 137.82(16) . . . . ?
B10 B5 B9 B8 100.45(17) . . . . ?
B10 B5 B9 B12 37.22(15) . . . . ?
B10 B6 B11 C2 -139.11(16) . . . . ?
B10 B6 B11 B7 -101.12(16) . . . . ?
B10 B6 B11 B12 -37.67(15) . . . . ?
B10 B9 B12 B7 99.97(17) . . . . ?
B10 B9 B12 B8 137.44(16) . . . . ?
B10 B9 B12 B11 37.37(15) . . . . ?
B10 B11 B12 B7 -138.23(17) . . . . ?
B10 B11 B12 B8 -100.88(17) . . . . ?
B10 B11 B12 B9 -37.34(15) . . . . ?
B11 C2 B3 C1 -96.43(15) . . . . ?
B11 C2 B3 B4 -62.41(19) . . . . ?
B11 C2 B3 B7 38.41(14) . . . . ?
B11 C2 B3 B8 1.4(2) . . . . ?
B11 C2 B6 C1 135.81(15) . . . . ?
B11 C2 B6 B5 101.41(17) . . . . ?
B11 C2 B6 B10 37.44(15) . . . . ?
B11 C2 B7 B3 -137.48(15) . . . . ?
B11 C2 B7 B8 -100.96(16) . . . . ?
B11 C2 B7 B12 -37.37(15) . . . . ?
B11 B6 B10 B5 139.19(17) . . . . ?
B11 B6 B10 B9 100.78(18) . . . . ?
B11 B6 B10 B12 37.71(15) . . . . ?
B11 B7 B8 B3 -99.98(17) . . . . ?
B11 B7 B8 B4 -62.77(19) . . . . ?
B11 B7 B8 B9 0.6(2) . . . . ?
B11 B7 B8 B12 37.77(15) . . . . ?
B11 B7 B12 B8 -138.20(17) . . . . ?
B11 B7 B12 B9 -100.79(17) . . . . ?
B11 B7 B12 B10 -37.28(15) . . . . ?
B11 B10 B12 B7 36.80(15) . . . . ?
B11 B10 B12 B8 100.36(16) . . . . ?
B11 B10 B12 B9 138.38(16) . . . . ?
B12 B7 B8 B3 -137.75(17) . . . . ?
B12 B7 B8 B4 -100.54(17) . . . . ?
B12 B7 B8 B9 -37.19(15) . . . . ?
B12 B7 B11 C2 138.71(16) . . . . ?
B12 B7 B11 B6 100.31(16) . . . . ?
B12 B7 B11 B10 37.25(15) . . . . ?
B12 B8 B9 B4 -138.13(16) . . . . ?
B12 B8 B9 B5 -100.71(17) . . . . ?
B12 B8 B9 B10 -37.89(15) . . . . ?
B12 B9 B10 B5 -138.27(16) . . . . ?
B12 B9 B10 B6 -99.57(17) . . . . ?
B12 B9 B10 B11 -37.26(14) . . . . ?
B12 B10 B11 C2 -100.56(17) . . . . ?
B12 B10 B11 B6 -137.51(17) . . . . ?
B12 B10 B11 B7 -37.46(15) . . . . ?
C100 P1 C101 C102 -35.0(2) . . . . ?
C100 P1 C101 C106 150.89(17) . . . . ?
C100 P1 C111 C112 -28.9(2) . . . . ?
C100 P1 C111 C116 154.11(16) . . . . ?
C101 P1 C100 C200 179.47(14) . . . . ?
C101 P1 C111 C112 78.25(19) . . . . ?
C101 P1 C111 C116 -98.73(17) . . . . ?
C101 C102 C103 C104 0.7(4) . . . . ?
C102 C101 C106 C105 -1.3(3) . . . . ?
C102 C103 C104 C105 -0.6(4) . . . . ?
C103 C104 C105 C106 -0.4(4) . . . . ?
C104 C105 C106 C101 1.3(4) . . . . ?
C106 C101 C102 C103 0.3(3) . . . . ?
C111 P1 C100 C200 -75.46(15) . . . . ?
C111 P1 C101 C102 -141.31(19) . . . . ?
C111 P1 C101 C106 44.62(18) . . . . ?
C111 C112 C113 C114 0.0(4) . . . . ?
C112 C111 C116 C115 0.1(3) . . . . ?
C112 C113 C114 C115 0.5(4) . . . . ?
C113 C114 C115 C116 -0.6(4) . . . . ?
C114 C115 C116 C111 0.4(3) . . . . ?
C116 C111 C112 C113 -0.3(3) . . . . ?
C200 P2 C201 C202 135.20(17) . . . . ?
C200 P2 C201 C206 -45.64(18) . . . . ?
C200 P2 C211 C212 135.07(16) . . . . ?
C200 P2 C211 C216 -51.60(18) . . . . ?
C201 P2 C200 C100 -87.53(14) . . . . ?
C201 P2 C211 C212 30.43(18) . . . . ?
C201 P2 C211 C216 -156.25(16) . . . . ?
C201 C202 C203 C204 -0.4(3) . . . . ?
C202 C201 C206 C205 -0.6(3) . . . . ?
C202 C203 C204 C205 -0.6(4) . . . . ?
C203 C204 C205 C206 0.9(4) . . . . ?
C204 C205 C206 C201 -0.3(3) . . . . ?
C206 C201 C202 C203 0.9(3) . . . . ?
C211 P2 C200 C100 166.92(13) . . . . ?
C211 P2 C201 C202 -118.07(17) . . . . ?
C211 P2 C201 C206 61.09(18) . . . . ?
C211 C212 C213 C214 0.1(3) . . . . ?
C212 C211 C216 C215 0.3(3) . . . . ?
C212 C213 C214 C215 -0.1(3) . . . . ?
C213 C214 C215 C216 0.1(3) . . . . ?
C214 C215 C216 C211 -0.2(3) . . . . ?
C216 C211 C212 C213 -0.2(3) . . . . ?
C1' C1 C2 Ru1 0.8(2) . . . . ?
C1' C1 C2 B3 110.95(17) . . . . ?
C1' C1 C2 B6 -107.62(17) . . . . ?
C1' C1 C2 B7 150.69(15) . . . . ?
C1' C1 C2 B11 -146.22(15) . . . . ?
C1' C1 B3 C2 -101.64(17) . . . . ?
C1' C1 B3 B4 116.33(18) . . . . ?
C1' C1 B3 B7 -141.26(16) . . . . ?
C1' C1 B3 B8 155.00(16) . . . . ?
C1' C1 B4 B3 -107.4(2) . . . . ?
C1' C1 B4 B5 111.8(2) . . . . ?
C1' C1 B4 B8 -145.89(18) . . . . ?
C1' C1 B4 B9 151.33(18) . . . . ?
C1' C1 B5 B4 -114.94(19) . . . . ?
C1' C1 B5 B6 104.58(19) . . . . ?
C1' C1 B5 B9 -154.59(17) . . . . ?
C1' C1 B5 B10 142.53(17) . . . . ?
C1' C1 B6 C2 103.30(16) . . . . ?
C1' C1 B6 B5 -114.95(18) . . . . ?
C1' C1 B6 B10 -153.36(16) . . . . ?
C1' C1 B6 B11 142.34(16) . . . . ?
C1' C2' B3' Ru1 -100.41(15) . . . . ?
C1' C2' B3' B4' 36.96(13) . . . . ?
C1' C2' B3' B7' 137.66(17) . . . . ?
C1' C2' B3' B8' 96.38(15) . . . . ?
C1' C2' B6' B5' -36.28(14) . . . . ?
C1' C2' B6' B10' -99.03(17) . . . . ?
C1' C2' B6' B11' -139.82(17) . . . . ?
C1' C2' B7' B3' -40.83(15) . . . . ?
C1' C2' B7' B8' 2.7(2) . . . . ?
C1' C2' B7' B11' 104.79(18) . . . . ?
C1' C2' B7' B12' 65.2(2) . . . . ?
C1' C2' B11' B6' 38.23(16) . . . . ?
C1' C2' B11' B7' -105.11(18) . . . . ?
C1' C2' B11' B10' -2.1(2) . . . . ?
C1' C2' B11' B12' -65.22(19) . . . . ?
C1' B3' B4' B5' 31.15(14) . . . . ?
C1' B3' B4' B8' 130.57(16) . . . . ?
C1' B3' B4' B9' 96.43(17) . . . . ?
C1' B3' B7' C2' 32.89(13) . . . . ?
C1' B3' B7' B8' -97.06(15) . . . . ?
C1' B3' B7' B11' 1.3(2) . . . . ?
C1' B3' B7' B12' -63.01(18) . . . . ?
C1' B3' B8' B4' -39.95(13) . . . . ?
C1' B3' B8' B7' 93.09(15) . . . . ?
C1' B3' B8' B9' -6.2(2) . . . . ?
C1' B3' B8' B12' 58.68(19) . . . . ?
C1' B4' B5' B6' 34.65(14) . . . . ?
C1' B4' B5' B9' 134.50(17) . . . . ?
C1' B4' B5' B10' 97.13(18) . . . . ?
C1' B4' B8' B3' 44.48(14) . . . . ?
C1' B4' B8' B7' 2.3(2) . . . . ?
C1' B4' B8' B9' -98.63(17) . . . . ?
C1' B4' B8' B12' -61.1(2) . . . . ?
C1' B4' B9' B5' -39.26(15) . . . . ?
C1' B4' B9' B8' 100.04(16) . . . . ?
C1' B4' B9' B10' -1.5(2) . . . . ?
C1' B4' B9' B12' 62.59(19) . . . . ?
C1' B5' B6' C2' 34.90(13) . . . . ?
C1' B5' B6' B10' 134.10(16) . . . . ?
C1' B5' B6' B11' 95.27(17) . . . . ?
C1' B5' B9' B4' 38.71(15) . . . . ?
C1' B5' B9' B8' 2.2(2) . . . . ?
C1' B5' B9' B10' -99.36(17) . . . . ?
C1' B5' B9' B12' -61.4(2) . . . . ?
C1' B5' B10' B6' -39.99(15) . . . . ?
C1' B5' B10' B9' 97.96(17) . . . . ?
C1' B5' B10' B11' -1.6(2) . . . . ?
C1' B5' B10' B12' 60.8(2) . . . . ?
C1' B6' B10' B5' 39.51(14) . . . . ?
C1' B6' B10' B9' 2.1(2) . . . . ?
C1' B6' B10' B11' -97.35(16) . . . . ?
C1' B6' B10' B12' -60.8(2) . . . . ?
C1' B6' B11' C2' -33.28(15) . . . . ?
C1' B6' B11' B7' -1.2(2) . . . . ?
C1' B6' B11' B10' 100.07(17) . . . . ?
C1' B6' B11' B12' 62.6(2) . . . . ?
C2' C1' B3' Ru1 109.01(15) . . . . ?
C2' C1' B3' B4' -134.24(16) . . . . ?
C2' C1' B3' B7' -33.81(14) . . . . ?
C2' C1' B3' B8' -92.94(16) . . . . ?
C2' C1' B4' B3' 42.72(15) . . . . ?
C2' C1' B4' B5' -103.55(16) . . . . ?
C2' C1' B4' B8' -0.7(2) . . . . ?
C2' C1' B4' B9' -63.81(19) . . . . ?
C2' C1' B5' B4' 101.89(16) . . . . ?
C2' C1' B5' B6' -39.37(15) . . . . ?
C2' C1' B5' B9' 62.57(19) . . . . ?
C2' C1' B5' B10' 0.3(2) . . . . ?
C2' C1' B6' B5' 137.59(16) . . . . ?
C2' C1' B6' B10' 97.05(17) . . . . ?
C2' C1' B6' B11' 34.32(15) . . . . ?
C2' B3' B4' C1' -35.24(12) . . . . ?
C2' B3' B4' B5' -4.09(19) . . . . ?
C2' B3' B4' B8' 95.32(15) . . . . ?
C2' B3' B4' B9' 61.19(18) . . . . ?
C2' B3' B7' B8' -129.95(16) . . . . ?
C2' B3' B7' B11' -31.54(16) . . . . ?
C2' B3' B7' B12' -95.90(17) . . . . ?
C2' B3' B8' B4' -93.68(15) . . . . ?
C2' B3' B8' B7' 39.36(13) . . . . ?
C2' B3' B8' B9' -59.96(19) . . . . ?
C2' B3' B8' B12' 4.95(19) . . . . ?
C2' B6' B10' B5' 97.28(16) . . . . ?
C2' B6' B10' B9' 59.9(2) . . . . ?
C2' B6' B10' B11' -39.57(15) . . . . ?
C2' B6' B10' B12' -3.0(2) . . . . ?
C2' B6' B11' B7' 32.05(16) . . . . ?
C2' B6' B11' B10' 133.35(17) . . . . ?
C2' B6' B11' B12' 95.84(18) . . . . ?
C2' B7' B8' B3' -44.75(15) . . . . ?
C2' B7' B8' B4' -3.0(2) . . . . ?
C2' B7' B8' B9' 59.88(19) . . . . ?
C2' B7' B8' B12' 98.11(17) . . . . ?
C2' B7' B11' B6' -32.97(16) . . . . ?
C2' B7' B11' B10' -95.95(18) . . . . ?
C2' B7' B11' B12' -134.18(17) . . . . ?
C2' B7' B12' B8' -99.52(16) . . . . ?
C2' B7' B12' B9' -61.4(2) . . . . ?
C2' B7' B12' B10' 1.6(2) . . . . ?
C2' B7' B12' B11' 39.27(15) . . . . ?
C2' B11' B12' B7' -38.56(14) . . . . ?
C2' B11' B12' B8' -1.9(2) . . . . ?
C2' B11' B12' B9' 61.6(2) . . . . ?
C2' B11' B12' B10' 99.31(17) . . . . ?
B3' C1' C2' B6' 148.21(16) . . . . ?
B3' C1' C2' B7' 40.41(15) . . . . ?
B3' C1' C2' B11' 110.15(17) . . . . ?
B3' C1' B4' B5' -146.27(16) . . . . ?
B3' C1' B4' B8' -43.46(14) . . . . ?
B3' C1' B4' B9' -106.53(16) . . . . ?
B3' C1' B5' B4' 32.59(15) . . . . ?
B3' C1' B5' B6' -108.66(17) . . . . ?
B3' C1' B5' B9' -6.7(2) . . . . ?
B3' C1' B5' B10' -69.0(2) . . . . ?
B3' C1' B6' C2' -31.99(16) . . . . ?
B3' C1' B6' B5' 105.60(17) . . . . ?
B3' C1' B6' B10' 65.1(2) . . . . ?
B3' C1' B6' B11' 2.3(2) . . . . ?
B3' C2' B6' C1' 32.32(15) . . . . ?
B3' C2' B6' B5' -4.0(2) . . . . ?
B3' C2' B6' B10' -66.7(2) . . . . ?
B3' C2' B6' B11' -107.50(19) . . . . ?
B3' C2' B7' B8' 43.54(15) . . . . ?
B3' C2' B7' B11' 145.62(17) . . . . ?
B3' C2' B7' B12' 106.04(17) . . . . ?
B3' C2' B11' B6' 109.04(18) . . . . ?
B3' C2' B11' B7' -34.29(16) . . . . ?
B3' C2' B11' B10' 68.7(2) . . . . ?
B3' C2' B11' B12' 5.6(2) . . . . ?
B3' B4' B5' C1' -32.39(15) . . . . ?
B3' B4' B5' B6' 2.3(2) . . . . ?
B3' B4' B5' B9' 102.12(18) . . . . ?
B3' B4' B5' B10' 64.7(2) . . . . ?
B3' B4' B8' B7' -42.14(15) . . . . ?
B3' B4' B8' B9' -143.11(17) . . . . ?
B3' B4' B8' B12' -105.60(18) . . . . ?
B3' B4' B9' B5' -105.16(18) . . . . ?
B3' B4' B9' B8' 34.14(16) . . . . ?
B3' B4' B9' B10' -67.4(2) . . . . ?
B3' B4' B9' B12' -3.3(2) . . . . ?
B3' B7' B8' B4' 41.72(14) . . . . ?
B3' B7' B8' B9' 104.63(16) . . . . ?
B3' B7' B8' B12' 142.86(16) . . . . ?
B3' B7' B11' C2' 32.83(16) . . . . ?
B3' B7' B11' B6' -0.1(2) . . . . ?
B3' B7' B11' B10' -63.1(2) . . . . ?
B3' B7' B11' B12' -101.35(18) . . . . ?
B3' B7' B12' B8' -34.02(15) . . . . ?
B3' B7' B12' B9' 4.1(2) . . . . ?
B3' B7' B12' B10' 67.2(2) . . . . ?
B3' B7' B12' B11' 104.78(17) . . . . ?
B3' B8' B9' B4' -34.06(16) . . . . ?
B3' B8' B9' B5' 2.8(2) . . . . ?
B3' B8' B9' B10' 66.9(2) . . . . ?
B3' B8' B9' B12' 103.88(18) . . . . ?
B3' B8' B12' B7' 34.87(15) . . . . ?
B3' B8' B12' B9' -102.20(18) . . . . ?
B3' B8' B12' B10' -65.7(2) . . . . ?
B3' B8' B12' B11' -2.3(2) . . . . ?
B4' C1' C2' B3' -41.69(14) . . . . ?
B4' C1' C2' B6' 106.52(17) . . . . ?
B4' C1' C2' B7' -1.3(2) . . . . ?
B4' C1' C2' B11' 68.46(19) . . . . ?
B4' C1' B3' Ru1 -116.75(15) . . . . ?
B4' C1' B3' C2' 134.24(16) . . . . ?
B4' C1' B3' B7' 100.44(15) . . . . ?
B4' C1' B3' B8' 41.30(14) . . . . ?
B4' C1' B5' B6' -141.26(16) . . . . ?
B4' C1' B5' B9' -39.31(15) . . . . ?
B4' C1' B5' B10' -101.56(17) . . . . ?
B4' C1' B6' C2' -100.32(17) . . . . ?
B4' C1' B6' B5' 37.27(15) . . . . ?
B4' C1' B6' B10' -3.3(2) . . . . ?
B4' C1' B6' B11' -66.0(2) . . . . ?
B4' B3' B7' C2' 90.03(16) . . . . ?
B4' B3' B7' B8' -39.92(14) . . . . ?
B4' B3' B7' B11' 58.5(2) . . . . ?
B4' B3' B7' B12' -5.9(2) . . . . ?
B4' B3' B8' B7' 133.04(16) . . . . ?
B4' B3' B8' B9' 33.72(16) . . . . ?
B4' B3' B8' B12' 98.64(18) . . . . ?
B4' B5' B6' C1' -34.00(14) . . . . ?
B4' B5' B6' C2' 0.9(2) . . . . ?
B4' B5' B6' B10' 100.10(17) . . . . ?
B4' B5' B6' B11' 61.3(2) . . . . ?
B4' B5' B9' B8' -36.50(16) . . . . ?
B4' B5' B9' B10' -138.07(18) . . . . ?
B4' B5' B9' B12' -100.15(18) . . . . ?
B4' B5' B10' B6' -100.84(17) . . . . ?
B4' B5' B10' B9' 37.11(16) . . . . ?
B4' B5' B10' B11' -62.4(2) . . . . ?
B4' B5' B10' B12' -0.1(2) . . . . ?
B4' B8' B9' B5' 36.91(16) . . . . ?
B4' B8' B9' B10' 100.97(18) . . . . ?
B4' B8' B9' B12' 137.94(18) . . . . ?
B4' B8' B12' B7' 99.64(17) . . . . ?
B4' B8' B12' B9' -37.43(16) . . . . ?
B4' B8' B12' B10' -0.9(2) . . . . ?
B4' B8' B12' B11' 62.5(2) . . . . ?
B4' B9' B10' B5' -37.92(16) . . . . ?
B4' B9' B10' B6' -0.4(2) . . . . ?
B4' B9' B10' B11' 62.8(2) . . . . ?
B4' B9' B10' B12' 100.11(18) . . . . ?
B4' B9' B12' B7' -0.5(2) . . . . ?
B4' B9' B12' B8' 37.35(15) . . . . ?
B4' B9' B12' B10' -101.90(18) . . . . ?
B4' B9' B12' B11' -64.1(2) . . . . ?
B5' C1' C2' B3' -109.00(16) . . . . ?
B5' C1' C2' B6' 39.22(16) . . . . ?
B5' C1' C2' B7' -68.6(2) . . . . ?
B5' C1' C2' B11' 1.1(2) . . . . ?
B5' C1' B3' Ru1 -149.91(14) . . . . ?
B5' C1' B3' C2' 101.08(17) . . . . ?
B5' C1' B3' B4' -33.16(16) . . . . ?
B5' C1' B3' B7' 67.28(19) . . . . ?
B5' C1' B3' B8' 8.1(2) . . . . ?
B5' C1' B4' B3' 146.27(16) . . . . ?
B5' C1' B4' B8' 102.80(17) . . . . ?
B5' C1' B4' B9' 39.74(15) . . . . ?
B5' C1' B6' C2' -137.59(16) . . . . ?
B5' C1' B6' B10' -40.54(15) . . . . ?
B5' C1' B6' B11' -103.27(18) . . . . ?
B5' B4' B8' B3' 106.48(18) . . . . ?
B5' B4' B8' B7' 64.3(2) . . . . ?
B5' B4' B8' B9' -36.63(16) . . . . ?
B5' B4' B8' B12' 0.9(2) . . . . ?
B5' B4' B9' B8' 139.30(18) . . . . ?
B5' B4' B9' B10' 37.74(16) . . . . ?
B5' B4' B9' B12' 101.84(19) . . . . ?
B5' B6' B10' B9' -37.39(16) . . . . ?
B5' B6' B10' B11' -136.86(17) . . . . ?
B5' B6' B10' B12' -100.30(18) . . . . ?
B5' B6' B11' C2' -94.40(17) . . . . ?
B5' B6' B11' B7' -62.4(2) . . . . ?
B5' B6' B11' B10' 38.94(16) . . . . ?
B5' B6' B11' B12' 1.4(2) . . . . ?
B5' B9' B10' B6' 37.51(16) . . . . ?
B5' B9' B10' B11' 100.73(18) . . . . ?
B5' B9' B10' B12' 138.02(18) . . . . ?
B5' B9' B12' B7' 63.6(2) . . . . ?
B5' B9' B12' B8' 101.48(18) . . . . ?
B5' B9' B12' B10' -37.77(16) . . . . ?
B5' B9' B12' B11' 0.0(2) . . . . ?
B5' B10' B11' C2' 2.2(2) . . . . ?
B5' B10' B11' B6' -38.37(15) . . . . ?
B5' B10' B11' B7' 62.4(2) . . . . ?
B5' B10' B11' B12' 100.28(18) . . . . ?
B5' B10' B12' B7' -62.4(2) . . . . ?
B5' B10' B12' B8' 0.6(2) . . . . ?
B5' B10' B12' B9' 37.26(16) . . . . ?
B5' B10' B12' B11' -100.23(18) . . . . ?
B6' C1' C2' B3' -148.21(16) . . . . ?
B6' C1' C2' B7' -107.80(18) . . . . ?
B6' C1' C2' B11' -38.07(16) . . . . ?
B6' C1' B3' Ru1 140.52(14) . . . . ?
B6' C1' B3' C2' 31.51(16) . . . . ?
B6' C1' B3' B4' -102.73(18) . . . . ?
B6' C1' B3' B7' -2.3(2) . . . . ?
B6' C1' B3' B8' -61.43(19) . . . . ?
B6' C1' B4' B3' 109.53(16) . . . . ?
B6' C1' B4' B5' -36.74(15) . . . . ?
B6' C1' B4' B8' 66.07(19) . . . . ?
B6' C1' B4' B9' 3.0(2) . . . . ?
B6' C1' B5' B4' 141.26(16) . . . . ?
B6' C1' B5' B9' 101.94(17) . . . . ?
B6' C1' B5' B10' 39.70(15) . . . . ?
B6' C2' B3' Ru1 -132.34(16) . . . . ?
B6' C2' B3' C1' -31.94(15) . . . . ?
B6' C2' B3' B4' 5.0(2) . . . . ?
B6' C2' B3' B7' 105.73(19) . . . . ?
B6' C2' B3' B8' 64.44(19) . . . . ?
B6' C2' B7' B3' -109.90(18) . . . . ?
B6' C2' B7' B8' -66.4(2) . . . . ?
B6' C2' B7' B11' 35.71(17) . . . . ?
B6' C2' B7' B12' -3.9(2) . . . . ?
B6' C2' B11' B7' -143.33(18) . . . . ?
B6' C2' B11' B10' -40.33(16) . . . . ?
B6' C2' B11' B12' -103.45(18) . . . . ?
B6' B5' B9' B4' 101.03(17) . . . . ?
B6' B5' B9' B8' 64.5(2) . . . . ?
B6' B5' B9' B10' -37.05(16) . . . . ?
B6' B5' B9' B12' 0.9(2) . . . . ?
B6' B5' B10' B9' 137.95(17) . . . . ?
B6' B5' B10' B11' 38.41(16) . . . . ?
B6' B5' B10' B12' 100.74(19) . . . . ?
B6' B10' B11' C2' 40.57(15) . . . . ?
B6' B10' B11' B7' 100.74(17) . . . . ?
B6' B10' B11' B12' 138.65(17) . . . . ?
B6' B10' B12' B7' 0.9(2) . . . . ?
B6' B10' B12' B8' 63.9(2) . . . . ?
B6' B10' B12' B9' 100.54(18) . . . . ?
B6' B10' B12' B11' -36.95(16) . . . . ?
B6' B11' B12' B7' -101.04(17) . . . . ?
B6' B11' B12' B8' -64.3(2) . . . . ?
B6' B11' B12' B9' -0.9(2) . . . . ?
B6' B11' B12' B10' 36.83(16) . . . . ?
B7' C2' B3' Ru1 121.93(16) . . . . ?
B7' C2' B3' C1' -137.66(17) . . . . ?
B7' C2' B3' B4' -100.71(15) . . . . ?
B7' C2' B3' B8' -41.28(14) . . . . ?
B7' C2' B6' C1' 103.48(18) . . . . ?
B7' C2' B6' B5' 67.2(2) . . . . ?
B7' C2' B6' B10' 4.4(2) . . . . ?
B7' C2' B6' B11' -36.34(17) . . . . ?
B7' C2' B11' B6' 143.33(18) . . . . ?
B7' C2' B11' B10' 103.00(18) . . . . ?
B7' C2' B11' B12' 39.89(16) . . . . ?
B7' B3' B4' C1' -90.87(15) . . . . ?
B7' B3' B4' B5' -59.72(19) . . . . ?
B7' B3' B4' B8' 39.70(14) . . . . ?
B7' B3' B4' B9' 5.6(2) . . . . ?
B7' B3' B8' B4' -133.04(16) . . . . ?
B7' B3' B8' B9' -99.32(18) . . . . ?
B7' B3' B8' B12' -34.41(15) . . . . ?
B7' B8' B9' B4' -99.56(17) . . . . ?
B7' B8' B9' B5' -62.7(2) . . . . ?
B7' B8' B9' B10' 1.4(2) . . . . ?
B7' B8' B9' B12' 38.38(15) . . . . ?
B7' B8' B12' B9' -137.07(17) . . . . ?
B7' B8' B12' B10' -100.58(18) . . . . ?
B7' B8' B12' B11' -37.12(15) . . . . ?
B7' B11' B12' B8' 36.71(15) . . . . ?
B7' B11' B12' B9' 100.16(17) . . . . ?
B7' B11' B12' B10' 137.87(17) . . . . ?
B8' B3' B4' C1' -130.57(16) . . . . ?
B8' B3' B4' B5' -99.42(18) . . . . ?
B8' B3' B4' B9' -34.13(16) . . . . ?
B8' B3' B7' C2' 129.95(16) . . . . ?
B8' B3' B7' B11' 98.41(19) . . . . ?
B8' B3' B7' B12' 34.05(16) . . . . ?
B8' B4' B5' C1' -97.62(17) . . . . ?
B8' B4' B5' B6' -63.0(2) . . . . ?
B8' B4' B5' B9' 36.88(16) . . . . ?
B8' B4' B5' B10' -0.5(2) . . . . ?
B8' B4' B9' B5' -139.30(18) . . . . ?
B8' B4' B9' B10' -101.55(18) . . . . ?
B8' B4' B9' B12' -37.45(16) . . . . ?
B8' B7' B11' C2' 97.24(17) . . . . ?
B8' B7' B11' B6' 64.3(2) . . . . ?
B8' B7' B11' B10' 1.3(2) . . . . ?
B8' B7' B11' B12' -36.95(15) . . . . ?
B8' B7' B12' B9' 38.15(15) . . . . ?
B8' B7' B12' B10' 101.17(18) . . . . ?
B8' B7' B12' B11' 138.79(16) . . . . ?
B8' B9' B10' B5' -101.34(18) . . . . ?
B8' B9' B10' B6' -63.8(2) . . . . ?
B8' B9' B10' B11' -0.6(2) . . . . ?
B8' B9' B10' B12' 36.68(15) . . . . ?
B8' B9' B12' B7' -37.87(15) . . . . ?
B8' B9' B12' B10' -139.25(17) . . . . ?
B8' B9' B12' B11' -101.48(18) . . . . ?
B9' B4' B5' C1' -134.50(17) . . . . ?
B9' B4' B5' B6' -99.85(18) . . . . ?
B9' B4' B5' B10' -37.37(17) . . . . ?
B9' B4' B8' B3' 143.11(17) . . . . ?
B9' B4' B8' B7' 100.96(18) . . . . ?
B9' B4' B8' B12' 37.51(16) . . . . ?
B9' B5' B6' C1' -96.69(17) . . . . ?
B9' B5' B6' C2' -61.79(19) . . . . ?
B9' B5' B6' B10' 37.41(16) . . . . ?
B9' B5' B6' B11' -1.4(2) . . . . ?
B9' B5' B10' B6' -137.95(17) . . . . ?
B9' B5' B10' B11' -99.55(18) . . . . ?
B9' B5' B10' B12' -37.21(17) . . . . ?
B9' B8' B12' B7' 137.07(17) . . . . ?
B9' B8' B12' B10' 36.48(17) . . . . ?
B9' B8' B12' B11' 99.94(18) . . . . ?
B9' B10' B11' C2' -60.6(2) . . . . ?
B9' B10' B11' B6' -101.15(17) . . . . ?
B9' B10' B11' B7' -0.4(2) . . . . ?
B9' B10' B11' B12' 37.49(15) . . . . ?
B9' B10' B12' B7' -99.62(18) . . . . ?
B9' B10' B12' B8' -36.62(16) . . . . ?
B9' B10' B12' B11' -137.49(17) . . . . ?
B10' B5' B6' C1' -134.10(16) . . . . ?
B10' B5' B6' C2' -99.20(17) . . . . ?
B10' B5' B6' B11' -38.83(16) . . . . ?
B10' B5' B9' B4' 138.07(18) . . . . ?
B10' B5' B9' B8' 101.57(19) . . . . ?
B10' B5' B9' B12' 37.93(16) . . . . ?
B10' B6' B11' C2' -133.35(17) . . . . ?
B10' B6' B11' B7' -101.30(19) . . . . ?
B10' B6' B11' B12' -37.50(16) . . . . ?
B10' B9' B12' B7' 101.37(18) . . . . ?
B10' B9' B12' B8' 139.25(17) . . . . ?
B10' B9' B12' B11' 37.77(16) . . . . ?
B10' B11' B12' B7' -137.87(17) . . . . ?
B10' B11' B12' B8' -101.17(18) . . . . ?
B10' B11' B12' B9' -37.71(16) . . . . ?
B11' C2' B3' Ru1 156.58(14) . . . . ?
B11' C2' B3' C1' -103.01(19) . . . . ?
B11' C2' B3' B4' -66.05(19) . . . . ?
B11' C2' B3' B7' 34.66(17) . . . . ?
B11' C2' B3' B8' -6.6(2) . . . . ?
B11' C2' B6' C1' 139.82(17) . . . . ?
B11' C2' B6' B5' 103.54(18) . . . . ?
B11' C2' B6' B10' 40.79(16) . . . . ?
B11' C2' B7' B3' -145.62(17) . . . . ?
B11' C2' B7' B8' -102.07(18) . . . . ?
B11' C2' B7' B12' -39.58(16) . . . . ?
B11' B6' B10' B5' 136.86(17) . . . . ?
B11' B6' B10' B9' 99.47(18) . . . . ?
B11' B6' B10' B12' 36.55(16) . . . . ?
B11' B7' B8' B3' -106.28(17) . . . . ?
B11' B7' B8' B4' -64.55(19) . . . . ?
B11' B7' B8' B9' -1.6(2) . . . . ?
B11' B7' B8' B12' 36.58(15) . . . . ?
B11' B7' B12' B8' -138.79(16) . . . . ?
B11' B7' B12' B9' -100.65(18) . . . . ?
B11' B7' B12' B10' -37.62(16) . . . . ?
B11' B10' B12' B7' 37.87(16) . . . . ?
B11' B10' B12' B8' 100.87(18) . . . . ?
B11' B10' B12' B9' 137.49(17) . . . . ?
B12' B7' B8' B3' -142.86(16) . . . . ?
B12' B7' B8' B4' -101.14(17) . . . . ?
B12' B7' B8' B9' -38.23(15) . . . . ?
B12' B7' B11' C2' 134.18(17) . . . . ?
B12' B7' B11' B6' 101.21(19) . . . . ?
B12' B7' B11' B10' 38.23(16) . . . . ?
B12' B8' B9' B4' -137.94(18) . . . . ?
B12' B8' B9' B5' -101.03(19) . . . . ?
B12' B8' B9' B10' -36.97(16) . . . . ?
B12' B9' B10' B5' -138.02(18) . . . . ?
B12' B9' B10' B6' -100.51(18) . . . . ?
B12' B9' B10' B11' -37.29(16) . . . . ?
B12' B10' B11' C2' -98.07(17) . . . . ?
B12' B10' B11' B6' -138.65(17) . . . . ?
B12' B10' B11' B7' -37.90(15) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5326
_database_code_depnum_ccdc_archive 'CCDC 1431560'
_audit_update_record             
;
2015-10-15 deposited with the CCDC.
2015-11-13 downloaded from the CCDC.
;
_audit_creation_date             2015-10-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H44 B20 P2 Ru, C H2 Cl2'
_chemical_formula_sum            'C31 H46 B20 Cl2 P2 Ru'
_chemical_formula_weight         868.79
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6782(14)
_cell_length_b                   12.1648(17)
_cell_length_c                   17.624(2)
_cell_angle_alpha                79.065(7)
_cell_angle_beta                 74.204(7)
_cell_angle_gamma                71.267(7)
_cell_volume                     2073.0(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9470
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      29.813
_cell_measurement_theta_min      2.277
_shelx_estimated_absorpt_T_max   0.898
_shelx_estimated_absorpt_T_min   0.819
_exptl_absorpt_coefficient_mu    0.611
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0729 before and 0.0558 after correction.
The Ratio of minimum to maximum transmission is 0.9307.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            46792
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.931
_diffrn_reflns_theta_min         2.311
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10032
_reflns_number_total             12793
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         12793
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0310P)²+0.1445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0835
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C201(H20B,H20A), C1S(H1SA,H1SB)
2.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C114(H114), C115(H115), C116(H116), C122(H122),
 C123(H123), C124(H124), C125(H125), C126(H126), C212(H212), C213(H213),
 C214(H214), C215(H215), C216(H216), C222(H222), C223(H223), C224(H224),
 C225(H225), C226(H226)
2.c Boron cage BH refined with riding coordinates:
 B9'(H9')
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.67185(2) 0.71953(2) 0.75307(2) 0.00955(4) Uani 1 1 d . . . . .
P1 P 0.75587(5) 0.52450(4) 0.73673(3) 0.01135(10) Uani 1 1 d . . . . .
C1 C 0.72287(18) 0.92201(16) 0.80818(10) 0.0111(4) Uani 1 1 d . . . . .
P2 P 0.47445(5) 0.67487(4) 0.79770(3) 0.01101(10) Uani 1 1 d . . . . .
C2 C 0.61777(18) 0.90511(16) 0.75509(10) 0.0108(4) Uani 1 1 d . . . . .
B3 B 0.7870(2) 0.86958(19) 0.71583(12) 0.0123(4) Uani 1 1 d . . . . .
H3 H 0.836(2) 0.7707(18) 0.7142(12) 0.015 Uiso 1 1 d R . . . .
B4 B 0.8562(2) 0.9672(2) 0.74632(13) 0.0131(4) Uani 1 1 d . . . . .
H4 H 0.954(2) 0.9366(18) 0.7630(12) 0.016 Uiso 1 1 d R . . . .
B5 B 0.7140(2) 1.06365(19) 0.80694(13) 0.0132(4) Uani 1 1 d . . . . .
H5 H 0.724(2) 1.0949(18) 0.8595(12) 0.016 Uiso 1 1 d R . . . .
B6 B 0.5641(2) 1.01937(19) 0.81334(13) 0.0124(4) Uani 1 1 d . . . . .
H6 H 0.485(2) 1.0174(18) 0.8682(12) 0.015 Uiso 1 1 d R . . . .
B7 B 0.6741(2) 0.9506(2) 0.65488(13) 0.0140(4) Uani 1 1 d . . . . .
H7 H 0.659(2) 0.9054(19) 0.6125(12) 0.017 Uiso 1 1 d R . . . .
B8 B 0.8249(2) 0.9888(2) 0.64832(13) 0.0147(4) Uani 1 1 d . . . . .
H8 H 0.910(2) 0.9745(18) 0.5967(12) 0.018 Uiso 1 1 d R . . . .
B9 B 0.7754(2) 1.1102(2) 0.70492(13) 0.0146(4) Uani 1 1 d . . . . .
H9 H 0.825(2) 1.1792(18) 0.6901(12) 0.017 Uiso 1 1 d R . . . .
B10 B 0.5952(2) 1.1424(2) 0.74742(13) 0.0143(4) Uani 1 1 d . . . . .
H10 H 0.534(2) 1.2295(19) 0.7578(12) 0.017 Uiso 1 1 d R . . . .
B11 B 0.5340(2) 1.04072(19) 0.71655(13) 0.0132(4) Uani 1 1 d . . . . .
H11 H 0.430(2) 1.0552(18) 0.7100(12) 0.016 Uiso 1 1 d R . . . .
B12 B 0.6631(2) 1.0996(2) 0.64906(13) 0.0158(5) Uani 1 1 d . . . . .
H12 H 0.645(2) 1.1642(19) 0.5958(12) 0.019 Uiso 1 1 d R . . . .
C101 C 0.64815(19) 0.44524(16) 0.81234(11) 0.0133(4) Uani 1 1 d . . . . .
H10A H 0.6625 0.3678 0.7961 0.016 Uiso 1 1 calc R . . . .
H10B H 0.6746 0.4328 0.8637 0.016 Uiso 1 1 calc R . . . .
C111 C 0.74090(19) 0.49841(16) 0.64052(11) 0.0126(4) Uani 1 1 d . . . . .
C112 C 0.8120(2) 0.55196(19) 0.57205(12) 0.0194(4) Uani 1 1 d . . . . .
H112 H 0.8689 0.5950 0.5771 0.023 Uiso 1 1 calc R . . . .
C113 C 0.7999(2) 0.54260(19) 0.49684(12) 0.0232(5) Uani 1 1 d . . . . .
H113 H 0.8500 0.5775 0.4509 0.028 Uiso 1 1 calc R . . . .
C114 C 0.7140(2) 0.48185(19) 0.48930(12) 0.0233(5) Uani 1 1 d . . . . .
H114 H 0.7036 0.4772 0.4382 0.028 Uiso 1 1 calc R . . . .
C115 C 0.6433(2) 0.42795(19) 0.55650(12) 0.0214(4) Uani 1 1 d . . . . .
H115 H 0.5859 0.3856 0.5512 0.026 Uiso 1 1 calc R . . . .
C116 C 0.6568(2) 0.43612(17) 0.63150(12) 0.0167(4) Uani 1 1 d . . . . .
H116 H 0.6084 0.3990 0.6771 0.020 Uiso 1 1 calc R . . . .
C121 C 0.93062(19) 0.43788(17) 0.74067(11) 0.0144(4) Uani 1 1 d . . . . .
C122 C 1.0318(2) 0.49368(18) 0.72555(12) 0.0181(4) Uani 1 1 d . . . . .
H122 H 1.0094 0.5763 0.7142 0.022 Uiso 1 1 calc R . . . .
C123 C 1.1662(2) 0.4293(2) 0.72699(12) 0.0219(5) Uani 1 1 d . . . . .
H123 H 1.2341 0.4684 0.7168 0.026 Uiso 1 1 calc R . . . .
C124 C 1.2003(2) 0.3088(2) 0.74317(13) 0.0245(5) Uani 1 1 d . . . . .
H124 H 1.2914 0.2652 0.7443 0.029 Uiso 1 1 calc R . . . .
C125 C 1.0998(2) 0.2516(2) 0.75789(13) 0.0251(5) Uani 1 1 d . . . . .
H125 H 1.1227 0.1690 0.7687 0.030 Uiso 1 1 calc R . . . .
C126 C 0.9664(2) 0.31597(18) 0.75670(12) 0.0198(4) Uani 1 1 d . . . . .
H126 H 0.8986 0.2767 0.7669 0.024 Uiso 1 1 calc R . . . .
C201 C 0.49637(19) 0.51497(17) 0.82263(12) 0.0161(4) Uani 1 1 d . . . . .
H20B H 0.4478 0.4994 0.8782 0.019 Uiso 1 1 calc R . . . .
H20A H 0.4557 0.4885 0.7878 0.019 Uiso 1 1 calc R . . . .
C211 C 0.38585(19) 0.71690(17) 0.71582(11) 0.0127(4) Uani 1 1 d . . . . .
C212 C 0.4579(2) 0.74558(18) 0.63945(11) 0.0163(4) Uani 1 1 d . . . . .
H212 H 0.5505 0.7429 0.6312 0.020 Uiso 1 1 calc R . . . .
C213 C 0.3959(2) 0.77793(19) 0.57545(12) 0.0203(4) Uani 1 1 d . . . . .
H213 H 0.4458 0.7979 0.5240 0.024 Uiso 1 1 calc R . . . .
C214 C 0.2600(2) 0.78104(18) 0.58707(12) 0.0185(4) Uani 1 1 d . . . . .
H214 H 0.2174 0.8028 0.5435 0.022 Uiso 1 1 calc R . . . .
C215 C 0.1877(2) 0.75213(19) 0.66265(12) 0.0196(4) Uani 1 1 d . . . . .
H215 H 0.0954 0.7539 0.6706 0.024 Uiso 1 1 calc R . . . .
C216 C 0.2494(2) 0.72057(18) 0.72683(12) 0.0180(4) Uani 1 1 d . . . . .
H216 H 0.1989 0.7014 0.7783 0.022 Uiso 1 1 calc R . . . .
C221 C 0.34361(18) 0.74869(16) 0.87860(11) 0.0121(4) Uani 1 1 d . . . . .
C222 C 0.29011(19) 0.69228(17) 0.95104(11) 0.0152(4) Uani 1 1 d . . . . .
H222 H 0.3181 0.6094 0.9601 0.018 Uiso 1 1 calc R . . . .
C223 C 0.1954(2) 0.75704(18) 1.01045(12) 0.0178(4) Uani 1 1 d . . . . .
H223 H 0.1585 0.7178 1.0592 0.021 Uiso 1 1 calc R . . . .
C224 C 0.1553(2) 0.87819(18) 0.99845(12) 0.0182(4) Uani 1 1 d . . . . .
H224 H 0.0936 0.9218 1.0396 0.022 Uiso 1 1 calc R . . . .
C225 C 0.20563(19) 0.93593(18) 0.92576(12) 0.0179(4) Uani 1 1 d . . . . .
H225 H 0.1768 1.0188 0.9169 0.021 Uiso 1 1 calc R . . . .
C226 C 0.29849(19) 0.87148(17) 0.86610(12) 0.0156(4) Uani 1 1 d . . . . .
H226 H 0.3316 0.9110 0.8165 0.019 Uiso 1 1 calc R . . . .
C1' C 0.74354(18) 0.82944(16) 0.87841(11) 0.0109(4) Uani 1 1 d . . . . .
C2' C 0.61035(19) 0.79223(16) 0.93325(11) 0.0114(4) Uani 1 1 d . . . . .
H2' H 0.526(2) 0.8338(18) 0.9225(12) 0.014 Uiso 1 1 d R . . . .
B3' B 0.7199(2) 0.69443(18) 0.86030(12) 0.0117(4) Uani 1 1 d . . . . .
B4' B 0.8819(2) 0.70999(19) 0.86821(13) 0.0117(4) Uani 1 1 d . . . . .
H4' H 0.960(2) 0.7069(18) 0.8126(12) 0.014 Uiso 1 1 d R . . . .
B5' B 0.8592(2) 0.81477(19) 0.93347(13) 0.0134(4) Uani 1 1 d . . . . .
H5' H 0.917(2) 0.8754(18) 0.9197(12) 0.016 Uiso 1 1 d R . . . .
B6' B 0.6811(2) 0.8700(2) 0.97434(12) 0.0127(4) Uani 1 1 d . . . . .
H6' H 0.627(2) 0.9604(19) 0.9815(12) 0.015 Uiso 1 1 d R . . . .
B7' B 0.6465(2) 0.64678(19) 0.96268(12) 0.0126(4) Uani 1 1 d . . . . .
H7' H 0.573(2) 0.6008(18) 0.9713(12) 0.015 Uiso 1 1 d R . . . .
B8' B 0.8240(2) 0.5909(2) 0.92283(13) 0.0133(4) Uani 1 1 d . . . . .
H8' H 0.872(2) 0.5048(18) 0.9063(12) 0.016 Uiso 1 1 d R . . . .
B9' B 0.9096(2) 0.66181(19) 0.96524(13) 0.0134(4) Uani 1 1 d . . . . .
H9' H 1.0133 0.6164 0.9763 0.016 Uiso 1 1 calc R . . . .
B10' B 0.7841(2) 0.7609(2) 1.03151(13) 0.0149(4) Uani 1 1 d . . . . .
H10' H 0.806(2) 0.7851(19) 1.0838(12) 0.018 Uiso 1 1 d R . . . .
B11' B 0.6223(2) 0.75029(19) 1.02953(13) 0.0142(4) Uani 1 1 d . . . . .
H11' H 0.528(2) 0.7693(18) 1.0731(12) 0.017 Uiso 1 1 d R . . . .
B12' B 0.7631(2) 0.62234(19) 1.02458(13) 0.0137(4) Uani 1 1 d . . . . .
H12' H 0.763(2) 0.5527(18) 1.0763(12) 0.016 Uiso 1 1 d R . . . .
Cl1 Cl 0.98123(6) 0.77448(5) 0.47424(4) 0.03122(14) Uani 1 1 d . . . . .
Cl2 Cl 0.71310(6) 0.87348(7) 0.43426(4) 0.03881(16) Uani 1 1 d . . . . .
C1S C 0.8659(2) 0.9000(2) 0.43570(15) 0.0315(6) Uani 1 1 d . . . . .
H1SA H 0.8445 0.9642 0.4685 0.038 Uiso 1 1 calc R . . . .
H1SB H 0.9099 0.9257 0.3810 0.038 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.2952(6) . ?
Ru1 P2 2.2423(6) . ?
Ru1 C2 2.1479(19) . ?
Ru1 B3 2.413(2) . ?
Ru1 H3 1.96(2) . ?
Ru1 B3' 2.034(2) . ?
P1 C101 1.8491(19) . ?
P1 C111 1.8399(19) . ?
P1 C121 1.838(2) . ?
C1 C2 1.723(3) . ?
C1 B3 1.741(3) . ?
C1 B4 1.717(3) . ?
C1 B5 1.691(3) . ?
C1 B6 1.718(3) . ?
C1 C1' 1.520(3) . ?
P2 C201 1.863(2) . ?
P2 C211 1.842(2) . ?
P2 C221 1.8403(19) . ?
C2 B3 1.692(3) . ?
C2 B6 1.739(3) . ?
C2 B7 1.747(3) . ?
C2 B11 1.715(3) . ?
B3 H3 1.15(2) . ?
B3 B4 1.808(3) . ?
B3 B7 1.766(3) . ?
B3 B8 1.773(3) . ?
B4 H4 1.09(2) . ?
B4 B5 1.809(3) . ?
B4 B8 1.803(3) . ?
B4 B9 1.789(3) . ?
B5 H5 1.11(2) . ?
B5 B6 1.815(3) . ?
B5 B9 1.787(3) . ?
B5 B10 1.786(3) . ?
B6 H6 1.097(19) . ?
B6 B10 1.774(3) . ?
B6 B11 1.777(3) . ?
B7 H7 1.08(2) . ?
B7 B8 1.784(3) . ?
B7 B11 1.771(3) . ?
B7 B12 1.764(3) . ?
B8 H8 1.09(2) . ?
B8 B9 1.796(3) . ?
B8 B12 1.817(3) . ?
B9 H9 1.08(2) . ?
B9 B10 1.805(3) . ?
B9 B12 1.792(3) . ?
B10 H10 1.07(2) . ?
B10 B11 1.795(3) . ?
B10 B12 1.793(3) . ?
B11 H11 1.10(2) . ?
B11 B12 1.802(3) . ?
B12 H12 1.12(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C201 1.547(3) . ?
C111 C112 1.406(3) . ?
C111 C116 1.403(3) . ?
C112 H112 0.9500 . ?
C112 C113 1.395(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.394(3) . ?
C114 H114 0.9500 . ?
C114 C115 1.392(3) . ?
C115 H115 0.9500 . ?
C115 C116 1.393(3) . ?
C116 H116 0.9500 . ?
C121 C122 1.395(3) . ?
C121 C126 1.400(3) . ?
C122 H122 0.9500 . ?
C122 C123 1.401(3) . ?
C123 H123 0.9500 . ?
C123 C124 1.385(3) . ?
C124 H124 0.9500 . ?
C124 C125 1.401(3) . ?
C125 H125 0.9500 . ?
C125 C126 1.392(3) . ?
C126 H126 0.9500 . ?
C201 H20B 0.9900 . ?
C201 H20A 0.9900 . ?
C211 C212 1.398(3) . ?
C211 C216 1.404(3) . ?
C212 H212 0.9500 . ?
C212 C213 1.392(3) . ?
C213 H213 0.9500 . ?
C213 C214 1.398(3) . ?
C214 H214 0.9500 . ?
C214 C215 1.390(3) . ?
C215 H215 0.9500 . ?
C215 C216 1.393(3) . ?
C216 H216 0.9500 . ?
C221 C222 1.396(3) . ?
C221 C226 1.408(3) . ?
C222 H222 0.9500 . ?
C222 C223 1.402(3) . ?
C223 H223 0.9500 . ?
C223 C224 1.388(3) . ?
C224 H224 0.9500 . ?
C224 C225 1.396(3) . ?
C225 H225 0.9500 . ?
C225 C226 1.396(3) . ?
C226 H226 0.9500 . ?
C1' C2' 1.631(3) . ?
C1' B3' 1.836(3) . ?
C1' B4' 1.703(3) . ?
C1' B5' 1.716(3) . ?
C1' B6' 1.743(3) . ?
C2' H2' 0.93(2) . ?
C2' B3' 1.818(3) . ?
C2' B6' 1.735(3) . ?
C2' B7' 1.694(3) . ?
C2' B11' 1.704(3) . ?
B3' B4' 1.843(3) . ?
B3' B7' 1.825(3) . ?
B3' B8' 1.810(3) . ?
B4' H4' 1.097(19) . ?
B4' B5' 1.792(3) . ?
B4' B8' 1.769(3) . ?
B4' B9' 1.772(3) . ?
B5' H5' 1.06(2) . ?
B5' B6' 1.790(3) . ?
B5' B9' 1.786(3) . ?
B5' B10' 1.792(3) . ?
B6' H6' 1.08(2) . ?
B6' B10' 1.774(3) . ?
B6' B11' 1.783(3) . ?
B7' H7' 1.06(2) . ?
B7' B8' 1.782(3) . ?
B7' B11' 1.797(3) . ?
B7' B12' 1.790(3) . ?
B8' H8' 1.06(2) . ?
B8' B9' 1.806(3) . ?
B8' B12' 1.803(3) . ?
B9' H9' 1.1200 . ?
B9' B10' 1.805(3) . ?
B9' B12' 1.781(3) . ?
B10' H10' 1.12(2) . ?
B10' B11' 1.784(3) . ?
B10' B12' 1.801(3) . ?
B11' H11' 1.07(2) . ?
B11' B12' 1.780(3) . ?
B12' H12' 1.12(2) . ?
Cl1 C1S 1.779(2) . ?
Cl2 C1S 1.770(2) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ru1 B3 129.34(5) . . ?
P1 Ru1 H3 101.5(6) . . ?
P2 Ru1 P1 82.70(2) . . ?
P2 Ru1 B3 147.64(5) . . ?
P2 Ru1 H3 175.7(6) . . ?
C2 Ru1 P1 171.80(5) . . ?
C2 Ru1 P2 104.67(5) . . ?
C2 Ru1 B3 43.06(7) . . ?
C2 Ru1 H3 71.1(6) . . ?
B3 Ru1 H3 28.1(6) . . ?
B3' Ru1 P1 93.08(6) . . ?
B3' Ru1 P2 96.64(6) . . ?
B3' Ru1 C2 89.66(8) . . ?
B3' Ru1 B3 87.12(8) . . ?
B3' Ru1 H3 84.0(6) . . ?
C101 P1 Ru1 108.39(6) . . ?
C111 P1 Ru1 110.91(6) . . ?
C111 P1 C101 105.34(9) . . ?
C121 P1 Ru1 123.46(7) . . ?
C121 P1 C101 104.49(9) . . ?
C121 P1 C111 102.77(9) . . ?
C2 C1 B3 58.46(11) . . ?
B4 C1 C2 111.15(14) . . ?
B4 C1 B3 63.03(12) . . ?
B4 C1 B6 116.50(15) . . ?
B5 C1 C2 112.51(15) . . ?
B5 C1 B3 114.51(14) . . ?
B5 C1 B4 64.10(12) . . ?
B5 C1 B6 64.34(12) . . ?
B6 C1 C2 60.70(12) . . ?
B6 C1 B3 110.86(14) . . ?
C1' C1 C2 114.01(14) . . ?
C1' C1 B3 114.74(15) . . ?
C1' C1 B4 121.26(16) . . ?
C1' C1 B5 124.51(16) . . ?
C1' C1 B6 117.49(15) . . ?
C201 P2 Ru1 113.23(6) . . ?
C211 P2 Ru1 107.63(6) . . ?
C211 P2 C201 104.35(9) . . ?
C221 P2 Ru1 120.34(6) . . ?
C221 P2 C201 107.56(9) . . ?
C221 P2 C211 102.00(9) . . ?
C1 C2 Ru1 103.92(11) . . ?
C1 C2 B6 59.50(11) . . ?
C1 C2 B7 109.02(14) . . ?
B3 C2 Ru1 76.85(10) . . ?
B3 C2 C1 61.29(11) . . ?
B3 C2 B6 112.25(14) . . ?
B3 C2 B7 61.77(12) . . ?
B3 C2 B11 112.39(14) . . ?
B6 C2 Ru1 146.49(12) . . ?
B6 C2 B7 111.97(15) . . ?
B7 C2 Ru1 100.80(11) . . ?
B11 C2 Ru1 146.74(13) . . ?
B11 C2 C1 108.43(14) . . ?
B11 C2 B6 61.94(12) . . ?
B11 C2 B7 61.52(12) . . ?
Ru1 B3 H3 53.2(10) . . ?
C1 B3 Ru1 93.49(10) . . ?
C1 B3 H3 117.9(10) . . ?
C1 B3 B4 57.84(11) . . ?
C1 B3 B7 107.37(15) . . ?
C1 B3 B8 105.39(15) . . ?
C2 B3 Ru1 60.09(9) . . ?
C2 B3 C1 60.25(11) . . ?
C2 B3 H3 113.2(10) . . ?
C2 B3 B4 108.34(15) . . ?
C2 B3 B7 60.65(12) . . ?
C2 B3 B8 108.65(15) . . ?
B4 B3 Ru1 148.33(13) . . ?
B4 B3 H3 125.2(10) . . ?
B7 B3 Ru1 90.88(11) . . ?
B7 B3 H3 121.5(10) . . ?
B7 B3 B4 109.35(16) . . ?
B7 B3 B8 60.53(13) . . ?
B8 B3 Ru1 149.17(14) . . ?
B8 B3 H3 130.3(10) . . ?
B8 B3 B4 60.44(12) . . ?
C1 B4 B3 59.12(11) . . ?
C1 B4 H4 118.2(11) . . ?
C1 B4 B5 57.24(11) . . ?
C1 B4 B8 105.12(15) . . ?
C1 B4 B9 103.24(15) . . ?
B3 B4 H4 121.7(11) . . ?
B3 B4 B5 105.91(15) . . ?
B5 B4 H4 119.2(11) . . ?
B8 B4 B3 58.82(12) . . ?
B8 B4 H4 127.9(11) . . ?
B8 B4 B5 107.81(16) . . ?
B9 B4 B3 105.41(16) . . ?
B9 B4 H4 128.2(11) . . ?
B9 B4 B5 59.57(12) . . ?
B9 B4 B8 60.01(13) . . ?
C1 B5 B4 58.65(11) . . ?
C1 B5 H5 120.4(11) . . ?
C1 B5 B6 58.55(12) . . ?
C1 B5 B9 104.39(15) . . ?
C1 B5 B10 104.38(15) . . ?
B4 B5 H5 122.0(11) . . ?
B4 B5 B6 107.42(15) . . ?
B6 B5 H5 118.8(10) . . ?
B9 B5 B4 59.66(12) . . ?
B9 B5 H5 127.3(11) . . ?
B9 B5 B6 107.26(16) . . ?
B10 B5 B4 108.21(16) . . ?
B10 B5 H5 124.5(11) . . ?
B10 B5 B6 59.04(12) . . ?
B10 B5 B9 60.69(13) . . ?
C1 B6 C2 59.80(11) . . ?
C1 B6 B5 57.11(12) . . ?
C1 B6 H6 119.5(11) . . ?
C1 B6 B10 103.74(14) . . ?
C1 B6 B11 105.87(14) . . ?
C2 B6 B5 106.03(14) . . ?
C2 B6 H6 119.3(11) . . ?
C2 B6 B10 105.57(15) . . ?
C2 B6 B11 58.37(12) . . ?
B5 B6 H6 122.8(11) . . ?
B10 B6 B5 59.65(12) . . ?
B10 B6 H6 128.5(11) . . ?
B10 B6 B11 60.71(12) . . ?
B11 B6 B5 108.40(15) . . ?
B11 B6 H6 124.0(11) . . ?
C2 B7 B3 57.58(11) . . ?
C2 B7 H7 116.6(11) . . ?
C2 B7 B8 105.74(15) . . ?
C2 B7 B11 58.35(11) . . ?
C2 B7 B12 106.30(15) . . ?
B3 B7 H7 117.6(11) . . ?
B3 B7 B8 59.93(12) . . ?
B3 B7 B11 106.34(15) . . ?
B8 B7 H7 125.4(11) . . ?
B11 B7 H7 120.7(11) . . ?
B11 B7 B8 110.13(16) . . ?
B12 B7 B3 108.32(16) . . ?
B12 B7 H7 128.7(11) . . ?
B12 B7 B8 61.61(13) . . ?
B12 B7 B11 61.32(12) . . ?
B3 B8 B4 60.74(12) . . ?
B3 B8 B7 59.53(12) . . ?
B3 B8 H8 120.9(11) . . ?
B3 B8 B9 106.60(15) . . ?
B3 B8 B12 105.70(15) . . ?
B4 B8 H8 120.0(11) . . ?
B4 B8 B12 107.58(15) . . ?
B7 B8 B4 108.79(15) . . ?
B7 B8 H8 121.9(11) . . ?
B7 B8 B9 106.58(15) . . ?
B7 B8 B12 58.66(13) . . ?
B9 B8 B4 59.62(12) . . ?
B9 B8 H8 123.9(11) . . ?
B9 B8 B12 59.48(13) . . ?
B12 B8 H8 124.7(11) . . ?
B4 B9 B8 60.37(13) . . ?
B4 B9 H9 121.4(11) . . ?
B4 B9 B10 108.23(15) . . ?
B4 B9 B12 109.26(16) . . ?
B5 B9 B4 60.77(12) . . ?
B5 B9 B8 109.06(15) . . ?
B5 B9 H9 119.2(11) . . ?
B5 B9 B10 59.61(12) . . ?
B5 B9 B12 108.47(15) . . ?
B8 B9 H9 123.4(11) . . ?
B8 B9 B10 108.27(15) . . ?
B10 B9 H9 120.4(11) . . ?
B12 B9 B8 60.84(13) . . ?
B12 B9 H9 122.1(11) . . ?
B12 B9 B10 59.80(13) . . ?
B5 B10 B9 59.71(12) . . ?
B5 B10 H10 120.3(11) . . ?
B5 B10 B11 108.95(15) . . ?
B5 B10 B12 108.51(16) . . ?
B6 B10 B5 61.32(12) . . ?
B6 B10 B9 108.28(16) . . ?
B6 B10 H10 121.6(11) . . ?
B6 B10 B11 59.73(12) . . ?
B6 B10 B12 108.45(16) . . ?
B9 B10 H10 121.4(11) . . ?
B11 B10 B9 107.70(16) . . ?
B11 B10 H10 122.5(11) . . ?
B12 B10 B9 59.75(13) . . ?
B12 B10 H10 121.6(11) . . ?
B12 B10 B11 60.31(12) . . ?
C2 B11 B6 59.70(12) . . ?
C2 B11 B7 60.13(12) . . ?
C2 B11 B10 105.70(16) . . ?
C2 B11 H11 118.4(11) . . ?
C2 B11 B12 105.98(15) . . ?
B6 B11 B10 59.56(12) . . ?
B6 B11 H11 119.1(11) . . ?
B6 B11 B12 107.91(16) . . ?
B7 B11 B6 109.05(16) . . ?
B7 B11 B10 107.27(16) . . ?
B7 B11 H11 120.3(11) . . ?
B7 B11 B12 59.15(12) . . ?
B10 B11 H11 126.3(11) . . ?
B10 B11 B12 59.80(12) . . ?
B12 B11 H11 126.6(11) . . ?
B7 B12 B8 59.73(13) . . ?
B7 B12 B9 107.60(16) . . ?
B7 B12 B10 107.64(15) . . ?
B7 B12 B11 59.53(12) . . ?
B7 B12 H12 123.8(11) . . ?
B8 B12 H12 121.4(11) . . ?
B9 B12 B8 59.68(13) . . ?
B9 B12 B10 60.44(13) . . ?
B9 B12 B11 107.92(15) . . ?
B9 B12 H12 119.6(11) . . ?
B10 B12 B8 107.87(16) . . ?
B10 B12 B11 59.89(12) . . ?
B10 B12 H12 121.0(11) . . ?
B11 B12 B8 107.23(15) . . ?
B11 B12 H12 123.8(11) . . ?
P1 C101 H10A 109.5 . . ?
P1 C101 H10B 109.5 . . ?
H10A C101 H10B 108.1 . . ?
C201 C101 P1 110.74(13) . . ?
C201 C101 H10A 109.5 . . ?
C201 C101 H10B 109.5 . . ?
C112 C111 P1 116.95(15) . . ?
C116 C111 P1 124.43(14) . . ?
C116 C111 C112 118.47(18) . . ?
C111 C112 H112 119.6 . . ?
C113 C112 C111 120.76(19) . . ?
C113 C112 H112 119.6 . . ?
C112 C113 H113 120.1 . . ?
C114 C113 C112 119.81(19) . . ?
C114 C113 H113 120.1 . . ?
C113 C114 H114 119.9 . . ?
C115 C114 C113 120.1(2) . . ?
C115 C114 H114 119.9 . . ?
C114 C115 H115 120.0 . . ?
C114 C115 C116 120.03(19) . . ?
C116 C115 H115 120.0 . . ?
C111 C116 H116 119.6 . . ?
C115 C116 C111 120.81(18) . . ?
C115 C116 H116 119.6 . . ?
C122 C121 P1 119.74(16) . . ?
C122 C121 C126 118.57(19) . . ?
C126 C121 P1 121.68(15) . . ?
C121 C122 H122 119.6 . . ?
C121 C122 C123 120.8(2) . . ?
C123 C122 H122 119.6 . . ?
C122 C123 H123 119.9 . . ?
C124 C123 C122 120.2(2) . . ?
C124 C123 H123 119.9 . . ?
C123 C124 H124 120.2 . . ?
C123 C124 C125 119.6(2) . . ?
C125 C124 H124 120.2 . . ?
C124 C125 H125 120.0 . . ?
C126 C125 C124 120.0(2) . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 119.6 . . ?
C125 C126 C121 120.9(2) . . ?
C125 C126 H126 119.6 . . ?
P2 C201 H20B 109.3 . . ?
P2 C201 H20A 109.3 . . ?
C101 C201 P2 111.40(13) . . ?
C101 C201 H20B 109.3 . . ?
C101 C201 H20A 109.3 . . ?
H20B C201 H20A 108.0 . . ?
C212 C211 P2 118.55(14) . . ?
C212 C211 C216 118.72(18) . . ?
C216 C211 P2 122.73(15) . . ?
C211 C212 H212 119.5 . . ?
C213 C212 C211 120.92(18) . . ?
C213 C212 H212 119.5 . . ?
C212 C213 H213 120.1 . . ?
C212 C213 C214 119.87(18) . . ?
C214 C213 H213 120.1 . . ?
C213 C214 H214 120.2 . . ?
C215 C214 C213 119.68(19) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 119.8 . . ?
C214 C215 C216 120.47(19) . . ?
C216 C215 H215 119.8 . . ?
C211 C216 H216 119.8 . . ?
C215 C216 C211 120.34(18) . . ?
C215 C216 H216 119.8 . . ?
C222 C221 P2 124.90(15) . . ?
C222 C221 C226 118.62(17) . . ?
C226 C221 P2 116.45(14) . . ?
C221 C222 H222 119.8 . . ?
C221 C222 C223 120.48(18) . . ?
C223 C222 H222 119.8 . . ?
C222 C223 H223 119.8 . . ?
C224 C223 C222 120.35(18) . . ?
C224 C223 H223 119.8 . . ?
C223 C224 H224 120.1 . . ?
C223 C224 C225 119.89(18) . . ?
C225 C224 H224 120.1 . . ?
C224 C225 H225 120.1 . . ?
C226 C225 C224 119.79(19) . . ?
C226 C225 H225 120.1 . . ?
C221 C226 H226 119.6 . . ?
C225 C226 C221 120.81(18) . . ?
C225 C226 H226 119.6 . . ?
C1 C1' C2' 117.40(15) . . ?
C1 C1' B3' 109.95(14) . . ?
C1 C1' B4' 119.81(15) . . ?
C1 C1' B5' 123.54(15) . . ?
C1 C1' B6' 119.32(15) . . ?
C2' C1' B3' 62.92(11) . . ?
C2' C1' B4' 110.22(14) . . ?
C2' C1' B5' 110.99(14) . . ?
C2' C1' B6' 61.76(11) . . ?
B4' C1' B3' 62.62(12) . . ?
B4' C1' B5' 63.23(12) . . ?
B4' C1' B6' 114.50(15) . . ?
B5' C1' B3' 117.00(14) . . ?
B5' C1' B6' 62.32(12) . . ?
B6' C1' B3' 117.66(14) . . ?
C1' C2' H2' 118.1(13) . . ?
C1' C2' B3' 64.06(11) . . ?
C1' C2' B6' 62.30(12) . . ?
C1' C2' B7' 112.03(15) . . ?
C1' C2' B11' 112.02(15) . . ?
B3' C2' H2' 114.5(13) . . ?
B6' C2' H2' 114.6(13) . . ?
B6' C2' B3' 119.11(14) . . ?
B7' C2' H2' 120.5(13) . . ?
B7' C2' B3' 62.50(12) . . ?
B7' C2' B6' 115.95(16) . . ?
B7' C2' B11' 63.83(13) . . ?
B11' C2' H2' 118.9(12) . . ?
B11' C2' B3' 117.47(15) . . ?
B11' C2' B6' 62.48(12) . . ?
C1' B3' Ru1 109.10(12) . . ?
C1' B3' B4' 55.16(11) . . ?
C2' B3' Ru1 117.48(13) . . ?
C2' B3' C1' 53.02(10) . . ?
C2' B3' B4' 96.70(14) . . ?
C2' B3' B7' 55.43(11) . . ?
B4' B3' Ru1 120.88(12) . . ?
B7' B3' Ru1 136.72(14) . . ?
B7' B3' C1' 97.74(13) . . ?
B7' B3' B4' 102.25(15) . . ?
B8' B3' Ru1 142.77(14) . . ?
B8' B3' C1' 98.88(14) . . ?
B8' B3' C2' 98.82(14) . . ?
B8' B3' B4' 57.91(12) . . ?
B8' B3' B7' 58.71(12) . . ?
C1' B4' B3' 62.22(12) . . ?
C1' B4' H4' 118.4(11) . . ?
C1' B4' B5' 58.72(12) . . ?
C1' B4' B8' 105.84(14) . . ?
C1' B4' B9' 105.12(14) . . ?
B3' B4' H4' 115.1(11) . . ?
B5' B4' B3' 112.86(15) . . ?
B5' B4' H4' 119.0(11) . . ?
B8' B4' B3' 60.12(12) . . ?
B8' B4' H4' 125.8(11) . . ?
B8' B4' B5' 109.73(15) . . ?
B8' B4' B9' 61.33(12) . . ?
B9' B4' B3' 111.45(15) . . ?
B9' B4' H4' 126.8(11) . . ?
B9' B4' B5' 60.16(12) . . ?
C1' B5' B4' 58.05(12) . . ?
C1' B5' H5' 118.9(11) . . ?
C1' B5' B6' 59.59(12) . . ?
C1' B5' B9' 103.98(15) . . ?
C1' B5' B10' 104.70(15) . . ?
B4' B5' H5' 122.3(11) . . ?
B6' B5' B4' 108.04(15) . . ?
B6' B5' H5' 116.8(11) . . ?
B6' B5' B10' 59.37(12) . . ?
B9' B5' B4' 59.35(12) . . ?
B9' B5' H5' 129.0(11) . . ?
B9' B5' B6' 107.96(15) . . ?
B9' B5' B10' 60.57(12) . . ?
B10' B5' B4' 107.74(15) . . ?
B10' B5' H5' 125.4(11) . . ?
C1' B6' B5' 58.09(11) . . ?
C1' B6' H6' 118.2(11) . . ?
C1' B6' B10' 104.33(15) . . ?
C1' B6' B11' 103.28(15) . . ?
C2' B6' C1' 55.94(11) . . ?
C2' B6' B5' 103.00(15) . . ?
C2' B6' H6' 117.7(11) . . ?
C2' B6' B10' 103.90(15) . . ?
C2' B6' B11' 57.92(12) . . ?
B5' B6' H6' 125.6(11) . . ?
B10' B6' B5' 60.38(12) . . ?
B10' B6' H6' 131.9(11) . . ?
B10' B6' B11' 60.21(13) . . ?
B11' B6' B5' 107.66(15) . . ?
B11' B6' H6' 123.9(11) . . ?
C2' B7' B3' 62.07(12) . . ?
C2' B7' H7' 121.5(11) . . ?
C2' B7' B8' 104.82(15) . . ?
C2' B7' B11' 58.34(12) . . ?
C2' B7' B12' 103.80(15) . . ?
B3' B7' H7' 116.8(11) . . ?
B8' B7' B3' 60.23(12) . . ?
B8' B7' H7' 125.3(11) . . ?
B8' B7' B11' 108.47(16) . . ?
B8' B7' B12' 60.62(12) . . ?
B11' B7' B3' 112.47(15) . . ?
B11' B7' H7' 119.5(11) . . ?
B12' B7' B3' 110.89(15) . . ?
B12' B7' H7' 125.1(11) . . ?
B12' B7' B11' 59.50(12) . . ?
B3' B8' H8' 117.8(11) . . ?
B4' B8' B3' 61.97(12) . . ?
B4' B8' B7' 107.06(15) . . ?
B4' B8' H8' 120.7(11) . . ?
B4' B8' B9' 59.41(12) . . ?
B4' B8' B12' 106.49(15) . . ?
B7' B8' B3' 61.06(12) . . ?
B7' B8' H8' 124.1(11) . . ?
B7' B8' B9' 107.08(15) . . ?
B7' B8' B12' 59.92(12) . . ?
B9' B8' B3' 111.40(15) . . ?
B9' B8' H8' 120.9(11) . . ?
B12' B8' B3' 111.00(15) . . ?
B12' B8' H8' 123.2(11) . . ?
B12' B8' B9' 59.16(12) . . ?
B4' B9' B5' 60.49(12) . . ?
B4' B9' B8' 59.26(12) . . ?
B4' B9' H9' 122.1 . . ?
B4' B9' B10' 108.09(15) . . ?
B4' B9' B12' 107.31(15) . . ?
B5' B9' B8' 108.35(15) . . ?
B5' B9' H9' 121.5 . . ?
B5' B9' B10' 59.87(12) . . ?
B8' B9' H9' 121.4 . . ?
B10' B9' B8' 108.82(15) . . ?
B10' B9' H9' 121.3 . . ?
B12' B9' B5' 108.00(15) . . ?
B12' B9' B8' 60.34(12) . . ?
B12' B9' H9' 121.8 . . ?
B12' B9' B10' 60.28(12) . . ?
B5' B10' B9' 59.56(12) . . ?
B5' B10' H10' 119.3(11) . . ?
B5' B10' B12' 106.90(15) . . ?
B6' B10' B5' 60.25(12) . . ?
B6' B10' B9' 107.86(15) . . ?
B6' B10' H10' 118.9(11) . . ?
B6' B10' B11' 60.17(13) . . ?
B6' B10' B12' 107.83(16) . . ?
B9' B10' H10' 123.0(11) . . ?
B11' B10' B5' 107.53(16) . . ?
B11' B10' B9' 106.83(16) . . ?
B11' B10' H10' 123.4(10) . . ?
B11' B10' B12' 59.53(13) . . ?
B12' B10' B9' 59.22(12) . . ?
B12' B10' H10' 125.6(11) . . ?
C2' B11' B6' 59.60(12) . . ?
C2' B11' B7' 57.83(12) . . ?
C2' B11' B10' 104.73(15) . . ?
C2' B11' H11' 115.8(11) . . ?
C2' B11' B12' 103.86(15) . . ?
B6' B11' B7' 108.60(15) . . ?
B6' B11' B10' 59.63(12) . . ?
B6' B11' H11' 118.0(11) . . ?
B7' B11' H11' 117.5(11) . . ?
B10' B11' B7' 108.80(15) . . ?
B10' B11' H11' 129.6(11) . . ?
B12' B11' B6' 108.33(15) . . ?
B12' B11' B7' 60.08(13) . . ?
B12' B11' B10' 60.70(13) . . ?
B12' B11' H11' 129.6(11) . . ?
B7' B12' B8' 59.46(12) . . ?
B7' B12' B10' 108.34(16) . . ?
B7' B12' H12' 119.5(11) . . ?
B8' B12' H12' 123.2(11) . . ?
B9' B12' B7' 107.79(15) . . ?
B9' B12' B8' 60.50(12) . . ?
B9' B12' B10' 60.50(12) . . ?
B9' B12' H12' 125.1(10) . . ?
B10' B12' B8' 109.12(15) . . ?
B10' B12' H12' 121.3(11) . . ?
B11' B12' B7' 60.42(13) . . ?
B11' B12' B8' 108.28(15) . . ?
B11' B12' B9' 108.04(15) . . ?
B11' B12' B10' 59.77(13) . . ?
B11' B12' H12' 118.3(10) . . ?
Cl1 C1S H1SA 109.1 . . ?
Cl1 C1S H1SB 109.1 . . ?
Cl2 C1S Cl1 112.50(13) . . ?
Cl2 C1S H1SA 109.1 . . ?
Cl2 C1S H1SB 109.1 . . ?
H1SA C1S H1SB 107.8 . . ?

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
Ru1 P1 C101 C201 40.61(14) . . . . ?
Ru1 P1 C111 C112 61.65(16) . . . . ?
Ru1 P1 C111 C116 -113.75(16) . . . . ?
Ru1 P1 C121 C122 -23.02(18) . . . . ?
Ru1 P1 C121 C126 158.54(14) . . . . ?
Ru1 P2 C201 C101 3.61(16) . . . . ?
Ru1 P2 C211 C212 12.06(17) . . . . ?
Ru1 P2 C211 C216 -168.37(15) . . . . ?
Ru1 P2 C221 C222 -121.32(16) . . . . ?
Ru1 P2 C221 C226 56.74(17) . . . . ?
Ru1 C2 B3 C1 -114.18(11) . . . . ?
Ru1 C2 B3 B4 -147.53(14) . . . . ?
Ru1 C2 B3 B7 110.11(11) . . . . ?
Ru1 C2 B3 B8 148.36(14) . . . . ?
Ru1 C2 B6 C1 67.4(2) . . . . ?
Ru1 C2 B6 B5 102.3(2) . . . . ?
Ru1 C2 B6 B10 164.50(18) . . . . ?
Ru1 C2 B6 B11 -155.7(2) . . . . ?
Ru1 C2 B7 B3 -68.58(11) . . . . ?
Ru1 C2 B7 B8 -105.86(14) . . . . ?
Ru1 C2 B7 B11 149.89(13) . . . . ?
Ru1 C2 B7 B12 -170.25(13) . . . . ?
Ru1 C2 B11 B6 155.5(2) . . . . ?
Ru1 C2 B11 B7 -64.0(2) . . . . ?
Ru1 C2 B11 B10 -165.19(18) . . . . ?
Ru1 C2 B11 B12 -102.8(2) . . . . ?
Ru1 B3 B4 C1 -28.1(3) . . . . ?
Ru1 B3 B4 B5 -62.4(3) . . . . ?
Ru1 B3 B4 B8 -163.9(3) . . . . ?
Ru1 B3 B4 B9 -124.5(2) . . . . ?
Ru1 B3 B7 C2 54.50(9) . . . . ?
Ru1 B3 B7 B8 -167.86(13) . . . . ?
Ru1 B3 B7 B11 87.99(13) . . . . ?
Ru1 B3 B7 B12 152.53(13) . . . . ?
Ru1 B3 B8 B4 163.5(3) . . . . ?
Ru1 B3 B8 B7 24.2(3) . . . . ?
Ru1 B3 B8 B9 124.0(2) . . . . ?
Ru1 B3 B8 B12 61.8(3) . . . . ?
Ru1 B3' B4' C1' 92.76(15) . . . . ?
Ru1 B3' B4' B5' 123.56(15) . . . . ?
Ru1 B3' B4' B8' -136.05(16) . . . . ?
Ru1 B3' B4' B9' -170.94(13) . . . . ?
Ru1 B3' B7' C2' -94.9(2) . . . . ?
Ru1 B3' B7' B8' 135.5(2) . . . . ?
Ru1 B3' B7' B11' -125.36(19) . . . . ?
Ru1 B3' B7' B12' 170.11(16) . . . . ?
Ru1 B3' B8' B4' 100.1(2) . . . . ?
Ru1 B3' B8' B7' -127.5(2) . . . . ?
Ru1 B3' B8' B9' 134.3(2) . . . . ?
Ru1 B3' B8' B12' -161.80(18) . . . . ?
P1 C101 C201 P2 -27.60(17) . . . . ?
P1 C111 C112 C113 -176.15(17) . . . . ?
P1 C111 C116 C115 174.99(16) . . . . ?
P1 C121 C122 C123 -178.99(15) . . . . ?
P1 C121 C126 C125 178.71(16) . . . . ?
C1 C2 B3 Ru1 114.18(11) . . . . ?
C1 C2 B3 B4 -33.35(13) . . . . ?
C1 C2 B3 B7 -135.71(15) . . . . ?
C1 C2 B3 B8 -97.46(16) . . . . ?
C1 C2 B6 B5 34.83(13) . . . . ?
C1 C2 B6 B10 97.08(15) . . . . ?
C1 C2 B6 B11 136.88(15) . . . . ?
C1 C2 B7 B3 40.38(14) . . . . ?
C1 C2 B7 B8 3.10(19) . . . . ?
C1 C2 B7 B11 -101.15(16) . . . . ?
C1 C2 B7 B12 -61.29(18) . . . . ?
C1 C2 B11 B6 -38.37(13) . . . . ?
C1 C2 B11 B7 102.13(15) . . . . ?
C1 C2 B11 B10 0.93(18) . . . . ?
C1 C2 B11 B12 63.35(17) . . . . ?
C1 B3 B4 B5 -34.32(13) . . . . ?
C1 B3 B4 B8 -135.81(16) . . . . ?
C1 B3 B4 B9 -96.43(15) . . . . ?
C1 B3 B7 C2 -39.44(13) . . . . ?
C1 B3 B7 B8 98.21(16) . . . . ?
C1 B3 B7 B11 -5.95(19) . . . . ?
C1 B3 B7 B12 58.60(18) . . . . ?
C1 B3 B8 B4 37.74(14) . . . . ?
C1 B3 B8 B7 -101.54(16) . . . . ?
C1 B3 B8 B9 -1.74(19) . . . . ?
C1 B3 B8 B12 -63.92(18) . . . . ?
C1 B4 B5 B6 -33.75(14) . . . . ?
C1 B4 B5 B9 -133.93(16) . . . . ?
C1 B4 B5 B10 -96.08(16) . . . . ?
C1 B4 B8 B3 -38.29(14) . . . . ?
C1 B4 B8 B7 -1.9(2) . . . . ?
C1 B4 B8 B9 96.77(16) . . . . ?
C1 B4 B8 B12 60.21(18) . . . . ?
C1 B4 B9 B5 38.48(14) . . . . ?
C1 B4 B9 B8 -99.99(15) . . . . ?
C1 B4 B9 B10 1.10(19) . . . . ?
C1 B4 B9 B12 -62.42(18) . . . . ?
C1 B5 B6 C2 -36.01(13) . . . . ?
C1 B5 B6 B10 -134.95(16) . . . . ?
C1 B5 B6 B11 -97.35(16) . . . . ?
C1 B5 B9 B4 -39.42(14) . . . . ?
C1 B5 B9 B8 -1.9(2) . . . . ?
C1 B5 B9 B10 98.63(16) . . . . ?
C1 B5 B9 B12 62.79(19) . . . . ?
C1 B5 B10 B6 38.56(13) . . . . ?
C1 B5 B10 B9 -98.65(15) . . . . ?
C1 B5 B10 B11 1.25(19) . . . . ?
C1 B5 B10 B12 -62.82(18) . . . . ?
C1 B6 B10 B5 -37.72(14) . . . . ?
C1 B6 B10 B9 0.4(2) . . . . ?
C1 B6 B10 B11 100.69(15) . . . . ?
C1 B6 B10 B12 63.76(18) . . . . ?
C1 B6 B11 C2 37.89(13) . . . . ?
C1 B6 B11 B7 2.18(19) . . . . ?
C1 B6 B11 B10 -97.11(16) . . . . ?
C1 B6 B11 B12 -60.53(18) . . . . ?
C1 C1' C2' B3' 99.59(17) . . . . ?
C1 C1' C2' B6' -110.35(18) . . . . ?
C1 C1' C2' B7' 140.94(16) . . . . ?
C1 C1' C2' B11' -149.52(16) . . . . ?
C1 C1' B3' Ru1 -0.83(17) . . . . ?
C1 C1' B3' C2' -111.36(16) . . . . ?
C1 C1' B3' B4' 114.06(16) . . . . ?
C1 C1' B3' B7' -146.37(15) . . . . ?
C1 C1' B3' B8' 154.25(14) . . . . ?
C1 C1' B4' B3' -98.41(18) . . . . ?
C1 C1' B4' B5' 115.10(18) . . . . ?
C1 C1' B4' B8' -141.12(16) . . . . ?
C1 C1' B4' B9' 154.99(16) . . . . ?
C1 C1' B5' B4' -109.49(19) . . . . ?
C1 C1' B5' B6' 108.40(19) . . . . ?
C1 C1' B5' B9' -148.75(16) . . . . ?
C1 C1' B5' B10' 148.52(17) . . . . ?
C1 C1' B6' C2' 107.30(18) . . . . ?
C1 C1' B6' B5' -114.89(18) . . . . ?
C1 C1' B6' B10' -155.43(16) . . . . ?
C1 C1' B6' B11' 142.39(16) . . . . ?
P2 C211 C212 C213 180.00(16) . . . . ?
P2 C211 C216 C215 -179.50(16) . . . . ?
P2 C221 C222 C223 176.83(15) . . . . ?
P2 C221 C226 C225 -176.05(15) . . . . ?
C2 C1 B3 Ru1 -52.39(9) . . . . ?
C2 C1 B3 B4 141.95(15) . . . . ?
C2 C1 B3 B7 39.63(13) . . . . ?
C2 C1 B3 B8 102.98(16) . . . . ?
C2 C1 B4 B3 -34.28(14) . . . . ?
C2 C1 B4 B5 105.57(16) . . . . ?
C2 C1 B4 B8 3.87(19) . . . . ?
C2 C1 B4 B9 65.94(18) . . . . ?
C2 C1 B5 B4 -103.48(15) . . . . ?
C2 C1 B5 B6 38.11(14) . . . . ?
C2 C1 B5 B9 -63.55(18) . . . . ?
C2 C1 B5 B10 -0.68(18) . . . . ?
C2 C1 B6 B5 -139.17(15) . . . . ?
C2 C1 B6 B10 -100.22(15) . . . . ?
C2 C1 B6 B11 -37.23(13) . . . . ?
C2 C1 C1' C2' -42.6(2) . . . . ?
C2 C1 C1' B3' 26.44(19) . . . . ?
C2 C1 C1' B4' 95.60(19) . . . . ?
C2 C1 C1' B5' 171.54(15) . . . . ?
C2 C1 C1' B6' -113.94(17) . . . . ?
C2 B3 B4 C1 34.32(14) . . . . ?
C2 B3 B4 B5 0.00(19) . . . . ?
C2 B3 B4 B8 -101.49(16) . . . . ?
C2 B3 B4 B9 -62.11(18) . . . . ?
C2 B3 B7 B8 137.65(16) . . . . ?
C2 B3 B7 B11 33.49(14) . . . . ?
C2 B3 B7 B12 98.04(16) . . . . ?
C2 B3 B8 B4 100.98(16) . . . . ?
C2 B3 B8 B7 -38.30(14) . . . . ?
C2 B3 B8 B9 61.50(19) . . . . ?
C2 B3 B8 B12 -0.7(2) . . . . ?
C2 B6 B10 B5 -99.73(16) . . . . ?
C2 B6 B10 B9 -61.57(19) . . . . ?
C2 B6 B10 B11 38.69(14) . . . . ?
C2 B6 B10 B12 1.8(2) . . . . ?
C2 B6 B11 B7 -35.70(14) . . . . ?
C2 B6 B11 B10 -135.00(15) . . . . ?
C2 B6 B11 B12 -98.41(16) . . . . ?
C2 B7 B8 B3 36.22(14) . . . . ?
C2 B7 B8 B4 -0.7(2) . . . . ?
C2 B7 B8 B9 -63.61(19) . . . . ?
C2 B7 B8 B12 -100.32(16) . . . . ?
C2 B7 B11 B6 35.52(14) . . . . ?
C2 B7 B11 B10 98.53(16) . . . . ?
C2 B7 B11 B12 135.47(16) . . . . ?
C2 B7 B12 B8 99.39(16) . . . . ?
C2 B7 B12 B9 62.37(19) . . . . ?
C2 B7 B12 B10 -1.4(2) . . . . ?
C2 B7 B12 B11 -38.46(14) . . . . ?
C2 B11 B12 B7 39.24(14) . . . . ?
C2 B11 B12 B8 1.9(2) . . . . ?
C2 B11 B12 B9 -61.04(19) . . . . ?
C2 B11 B12 B10 -99.15(16) . . . . ?
B3 C1 C2 Ru1 66.24(11) . . . . ?
B3 C1 C2 B6 -145.44(15) . . . . ?
B3 C1 C2 B7 -40.60(14) . . . . ?
B3 C1 C2 B11 -105.97(15) . . . . ?
B3 C1 B4 B5 139.86(16) . . . . ?
B3 C1 B4 B8 38.15(14) . . . . ?
B3 C1 B4 B9 100.22(16) . . . . ?
B3 C1 B5 B4 -39.16(15) . . . . ?
B3 C1 B5 B6 102.42(16) . . . . ?
B3 C1 B5 B9 0.8(2) . . . . ?
B3 C1 B5 B10 63.63(18) . . . . ?
B3 C1 B6 C2 31.15(13) . . . . ?
B3 C1 B6 B5 -108.02(16) . . . . ?
B3 C1 B6 B10 -69.07(18) . . . . ?
B3 C1 B6 B11 -6.08(19) . . . . ?
B3 C1 C1' C2' -107.44(17) . . . . ?
B3 C1 C1' B3' -38.38(19) . . . . ?
B3 C1 C1' B4' 30.8(2) . . . . ?
B3 C1 C1' B5' 106.71(19) . . . . ?
B3 C1 C1' B6' -178.77(15) . . . . ?
B3 C2 B6 C1 -32.51(14) . . . . ?
B3 C2 B6 B5 2.3(2) . . . . ?
B3 C2 B6 B10 64.56(19) . . . . ?
B3 C2 B6 B11 104.37(16) . . . . ?
B3 C2 B7 B8 -37.28(14) . . . . ?
B3 C2 B7 B11 -141.54(16) . . . . ?
B3 C2 B7 B12 -101.67(17) . . . . ?
B3 C2 B11 B6 -104.15(16) . . . . ?
B3 C2 B11 B7 36.35(15) . . . . ?
B3 C2 B11 B10 -64.85(18) . . . . ?
B3 C2 B11 B12 -2.4(2) . . . . ?
B3 B4 B5 C1 35.13(14) . . . . ?
B3 B4 B5 B6 1.38(19) . . . . ?
B3 B4 B5 B9 -98.80(17) . . . . ?
B3 B4 B5 B10 -60.95(18) . . . . ?
B3 B4 B8 B7 36.44(15) . . . . ?
B3 B4 B8 B9 135.07(16) . . . . ?
B3 B4 B8 B12 98.50(16) . . . . ?
B3 B4 B9 B5 99.66(15) . . . . ?
B3 B4 B9 B8 -38.81(14) . . . . ?
B3 B4 B9 B10 62.28(18) . . . . ?
B3 B4 B9 B12 -1.24(19) . . . . ?
B3 B7 B8 B4 -36.96(15) . . . . ?
B3 B7 B8 B9 -99.82(16) . . . . ?
B3 B7 B8 B12 -136.53(16) . . . . ?
B3 B7 B11 C2 -33.17(14) . . . . ?
B3 B7 B11 B6 2.4(2) . . . . ?
B3 B7 B11 B10 65.36(18) . . . . ?
B3 B7 B11 B12 102.30(17) . . . . ?
B3 B7 B12 B8 38.84(14) . . . . ?
B3 B7 B12 B9 1.8(2) . . . . ?
B3 B7 B12 B10 -61.94(19) . . . . ?
B3 B7 B12 B11 -99.01(16) . . . . ?
B3 B8 B9 B4 40.01(14) . . . . ?
B3 B8 B9 B5 2.3(2) . . . . ?
B3 B8 B9 B10 -61.01(19) . . . . ?
B3 B8 B9 B12 -98.74(16) . . . . ?
B3 B8 B12 B7 -38.02(14) . . . . ?
B3 B8 B12 B9 100.30(16) . . . . ?
B3 B8 B12 B10 62.38(19) . . . . ?
B3 B8 B12 B11 -0.8(2) . . . . ?
B4 C1 C2 Ru1 102.32(14) . . . . ?
B4 C1 C2 B3 36.09(15) . . . . ?
B4 C1 C2 B6 -109.36(16) . . . . ?
B4 C1 C2 B7 -4.51(19) . . . . ?
B4 C1 C2 B11 -69.88(18) . . . . ?
B4 C1 B3 Ru1 165.66(13) . . . . ?
B4 C1 B3 C2 -141.95(15) . . . . ?
B4 C1 B3 B7 -102.32(16) . . . . ?
B4 C1 B3 B8 -38.97(14) . . . . ?
B4 C1 B5 B6 141.58(15) . . . . ?
B4 C1 B5 B9 39.92(14) . . . . ?
B4 C1 B5 B10 102.79(16) . . . . ?
B4 C1 B6 C2 100.52(16) . . . . ?
B4 C1 B6 B5 -38.65(15) . . . . ?
B4 C1 B6 B10 0.3(2) . . . . ?
B4 C1 B6 B11 63.30(19) . . . . ?
B4 C1 C1' C2' -179.72(15) . . . . ?
B4 C1 C1' B3' -110.66(17) . . . . ?
B4 C1 C1' B4' -41.5(2) . . . . ?
B4 C1 C1' B5' 34.4(3) . . . . ?
B4 C1 C1' B6' 108.95(19) . . . . ?
B4 B3 B7 C2 -100.67(16) . . . . ?
B4 B3 B7 B8 36.97(14) . . . . ?
B4 B3 B7 B11 -67.18(18) . . . . ?
B4 B3 B7 B12 -2.6(2) . . . . ?
B4 B3 B8 B7 -139.28(16) . . . . ?
B4 B3 B8 B9 -39.48(15) . . . . ?
B4 B3 B8 B12 -101.66(16) . . . . ?
B4 B5 B6 C1 33.79(13) . . . . ?
B4 B5 B6 C2 -2.21(19) . . . . ?
B4 B5 B6 B10 -101.16(16) . . . . ?
B4 B5 B6 B11 -63.56(18) . . . . ?
B4 B5 B9 B8 37.57(15) . . . . ?
B4 B5 B9 B10 138.05(16) . . . . ?
B4 B5 B9 B12 102.22(17) . . . . ?
B4 B5 B10 B6 99.80(16) . . . . ?
B4 B5 B10 B9 -37.40(14) . . . . ?
B4 B5 B10 B11 62.49(18) . . . . ?
B4 B5 B10 B12 -1.6(2) . . . . ?
B4 B8 B9 B5 -37.74(15) . . . . ?
B4 B8 B9 B10 -101.02(16) . . . . ?
B4 B8 B9 B12 -138.76(15) . . . . ?
B4 B8 B12 B7 -101.69(16) . . . . ?
B4 B8 B12 B9 36.63(14) . . . . ?
B4 B8 B12 B10 -1.3(2) . . . . ?
B4 B8 B12 B11 -64.42(19) . . . . ?
B4 B9 B10 B5 37.89(15) . . . . ?
B4 B9 B10 B6 -1.0(2) . . . . ?
B4 B9 B10 B11 -64.13(19) . . . . ?
B4 B9 B10 B12 -102.13(17) . . . . ?
B4 B9 B12 B7 -0.3(2) . . . . ?
B4 B9 B12 B8 -37.38(14) . . . . ?
B4 B9 B12 B10 100.37(16) . . . . ?
B4 B9 B12 B11 62.51(19) . . . . ?
B5 C1 C2 Ru1 172.05(11) . . . . ?
B5 C1 C2 B3 105.81(16) . . . . ?
B5 C1 C2 B6 -39.63(14) . . . . ?
B5 C1 C2 B7 65.21(18) . . . . ?
B5 C1 C2 B11 -0.16(19) . . . . ?
B5 C1 B3 Ru1 -154.74(13) . . . . ?
B5 C1 B3 C2 -102.35(16) . . . . ?
B5 C1 B3 B4 39.60(16) . . . . ?
B5 C1 B3 B7 -62.72(19) . . . . ?
B5 C1 B3 B8 0.6(2) . . . . ?
B5 C1 B4 B3 -139.86(16) . . . . ?
B5 C1 B4 B8 -101.71(16) . . . . ?
B5 C1 B4 B9 -39.64(14) . . . . ?
B5 C1 B6 C2 139.17(15) . . . . ?
B5 C1 B6 B10 38.95(14) . . . . ?
B5 C1 B6 B11 101.95(16) . . . . ?
B5 C1 C1' C2' 102.0(2) . . . . ?
B5 C1 C1' B3' 171.03(15) . . . . ?
B5 C1 C1' B4' -119.82(19) . . . . ?
B5 C1 C1' B5' -43.9(3) . . . . ?
B5 C1 C1' B6' 30.6(2) . . . . ?
B5 B4 B8 B3 -98.17(16) . . . . ?
B5 B4 B8 B7 -61.73(19) . . . . ?
B5 B4 B8 B9 36.90(14) . . . . ?
B5 B4 B8 B12 0.33(19) . . . . ?
B5 B4 B9 B8 -138.47(16) . . . . ?
B5 B4 B9 B10 -37.38(15) . . . . ?
B5 B4 B9 B12 -100.90(16) . . . . ?
B5 B6 B10 B9 38.16(15) . . . . ?
B5 B6 B10 B11 138.41(16) . . . . ?
B5 B6 B10 B12 101.48(17) . . . . ?
B5 B6 B11 C2 97.86(15) . . . . ?
B5 B6 B11 B7 62.16(19) . . . . ?
B5 B6 B11 B10 -37.13(14) . . . . ?
B5 B6 B11 B12 -0.5(2) . . . . ?
B5 B9 B10 B6 -38.88(15) . . . . ?
B5 B9 B10 B11 -102.02(16) . . . . ?
B5 B9 B10 B12 -140.02(16) . . . . ?
B5 B9 B12 B7 -64.95(19) . . . . ?
B5 B9 B12 B8 -102.00(17) . . . . ?
B5 B9 B12 B10 35.75(15) . . . . ?
B5 B9 B12 B11 -2.1(2) . . . . ?
B5 B10 B11 C2 -1.36(19) . . . . ?
B5 B10 B11 B6 38.00(14) . . . . ?
B5 B10 B11 B7 -64.33(19) . . . . ?
B5 B10 B11 B12 -100.99(17) . . . . ?
B5 B10 B12 B7 64.82(19) . . . . ?
B5 B10 B12 B8 1.8(2) . . . . ?
B5 B10 B12 B9 -35.80(14) . . . . ?
B5 B10 B12 B11 101.73(17) . . . . ?
B6 C1 C2 Ru1 -148.32(13) . . . . ?
B6 C1 C2 B3 145.44(15) . . . . ?
B6 C1 C2 B7 104.84(16) . . . . ?
B6 C1 C2 B11 39.47(14) . . . . ?
B6 C1 B3 Ru1 -84.36(13) . . . . ?
B6 C1 B3 C2 -31.96(14) . . . . ?
B6 C1 B3 B4 109.99(16) . . . . ?
B6 C1 B3 B7 7.67(19) . . . . ?
B6 C1 B3 B8 71.02(18) . . . . ?
B6 C1 B4 B3 -101.11(17) . . . . ?
B6 C1 B4 B5 38.74(16) . . . . ?
B6 C1 B4 B8 -62.97(19) . . . . ?
B6 C1 B4 B9 -0.9(2) . . . . ?
B6 C1 B5 B4 -141.58(15) . . . . ?
B6 C1 B5 B9 -101.66(16) . . . . ?
B6 C1 B5 B10 -38.79(14) . . . . ?
B6 C1 C1' C2' 25.5(2) . . . . ?
B6 C1 C1' B3' 94.60(17) . . . . ?
B6 C1 C1' B4' 163.76(16) . . . . ?
B6 C1 C1' B5' -120.31(18) . . . . ?
B6 C1 C1' B6' -45.8(2) . . . . ?
B6 C2 B3 Ru1 146.05(14) . . . . ?
B6 C2 B3 C1 31.87(14) . . . . ?
B6 C2 B3 B4 -1.5(2) . . . . ?
B6 C2 B3 B7 -103.84(16) . . . . ?
B6 C2 B3 B8 -65.59(19) . . . . ?
B6 C2 B7 B3 104.29(16) . . . . ?
B6 C2 B7 B8 67.00(19) . . . . ?
B6 C2 B7 B11 -37.25(15) . . . . ?
B6 C2 B7 B12 2.6(2) . . . . ?
B6 C2 B11 B7 140.49(15) . . . . ?
B6 C2 B11 B10 39.30(14) . . . . ?
B6 C2 B11 B12 101.72(16) . . . . ?
B6 B5 B9 B4 -100.45(16) . . . . ?
B6 B5 B9 B8 -62.89(19) . . . . ?
B6 B5 B9 B10 37.60(14) . . . . ?
B6 B5 B9 B12 1.8(2) . . . . ?
B6 B5 B10 B9 -137.20(16) . . . . ?
B6 B5 B10 B11 -37.31(14) . . . . ?
B6 B5 B10 B12 -101.38(16) . . . . ?
B6 B10 B11 C2 -39.36(14) . . . . ?
B6 B10 B11 B7 -102.34(16) . . . . ?
B6 B10 B11 B12 -138.99(16) . . . . ?
B6 B10 B12 B7 -0.2(2) . . . . ?
B6 B10 B12 B8 -63.27(19) . . . . ?
B6 B10 B12 B9 -100.85(17) . . . . ?
B6 B10 B12 B11 36.68(15) . . . . ?
B6 B11 B12 B7 101.91(17) . . . . ?
B6 B11 B12 B8 64.56(19) . . . . ?
B6 B11 B12 B9 1.6(2) . . . . ?
B6 B11 B12 B10 -36.48(15) . . . . ?
B7 C2 B3 Ru1 -110.11(11) . . . . ?
B7 C2 B3 C1 135.71(15) . . . . ?
B7 C2 B3 B4 102.36(16) . . . . ?
B7 C2 B3 B8 38.25(15) . . . . ?
B7 C2 B6 C1 -99.80(15) . . . . ?
B7 C2 B6 B5 -64.97(18) . . . . ?
B7 C2 B6 B10 -2.7(2) . . . . ?
B7 C2 B6 B11 37.08(15) . . . . ?
B7 C2 B11 B6 -140.49(15) . . . . ?
B7 C2 B11 B10 -101.20(16) . . . . ?
B7 C2 B11 B12 -38.78(14) . . . . ?
B7 B3 B4 C1 98.80(16) . . . . ?
B7 B3 B4 B5 64.48(18) . . . . ?
B7 B3 B4 B8 -37.01(14) . . . . ?
B7 B3 B4 B9 2.37(19) . . . . ?
B7 B3 B8 B4 139.28(16) . . . . ?
B7 B3 B8 B9 99.80(17) . . . . ?
B7 B3 B8 B12 37.61(14) . . . . ?
B7 B8 B9 B4 102.41(16) . . . . ?
B7 B8 B9 B5 64.67(19) . . . . ?
B7 B8 B9 B10 1.4(2) . . . . ?
B7 B8 B9 B12 -36.34(14) . . . . ?
B7 B8 B12 B9 138.32(16) . . . . ?
B7 B8 B12 B10 100.40(16) . . . . ?
B7 B8 B12 B11 37.27(15) . . . . ?
B7 B11 B12 B8 -37.36(15) . . . . ?
B7 B11 B12 B9 -100.28(17) . . . . ?
B7 B11 B12 B10 -138.39(17) . . . . ?
B8 B3 B4 C1 135.81(16) . . . . ?
B8 B3 B4 B5 101.49(16) . . . . ?
B8 B3 B4 B9 39.38(14) . . . . ?
B8 B3 B7 C2 -137.65(16) . . . . ?
B8 B3 B7 B11 -104.16(16) . . . . ?
B8 B3 B7 B12 -39.61(15) . . . . ?
B8 B4 B5 C1 96.84(16) . . . . ?
B8 B4 B5 B6 63.09(18) . . . . ?
B8 B4 B5 B9 -37.09(14) . . . . ?
B8 B4 B5 B10 0.76(19) . . . . ?
B8 B4 B9 B5 138.47(16) . . . . ?
B8 B4 B9 B10 101.09(17) . . . . ?
B8 B4 B9 B12 37.58(14) . . . . ?
B8 B7 B11 C2 -96.52(17) . . . . ?
B8 B7 B11 B6 -60.99(19) . . . . ?
B8 B7 B11 B10 2.0(2) . . . . ?
B8 B7 B11 B12 38.96(15) . . . . ?
B8 B7 B12 B9 -37.03(14) . . . . ?
B8 B7 B12 B10 -100.79(17) . . . . ?
B8 B7 B12 B11 -137.85(16) . . . . ?
B8 B9 B10 B5 101.83(17) . . . . ?
B8 B9 B10 B6 62.9(2) . . . . ?
B8 B9 B10 B11 -0.2(2) . . . . ?
B8 B9 B10 B12 -38.19(15) . . . . ?
B8 B9 B12 B7 37.05(14) . . . . ?
B8 B9 B12 B10 137.75(16) . . . . ?
B8 B9 B12 B11 99.88(16) . . . . ?
B9 B4 B5 C1 133.93(16) . . . . ?
B9 B4 B5 B6 100.18(17) . . . . ?
B9 B4 B5 B10 37.85(14) . . . . ?
B9 B4 B8 B3 -135.07(16) . . . . ?
B9 B4 B8 B7 -98.63(17) . . . . ?
B9 B4 B8 B12 -36.57(14) . . . . ?
B9 B5 B6 C1 96.61(16) . . . . ?
B9 B5 B6 C2 60.60(18) . . . . ?
B9 B5 B6 B10 -38.34(15) . . . . ?
B9 B5 B6 B11 -0.7(2) . . . . ?
B9 B5 B10 B6 137.20(16) . . . . ?
B9 B5 B10 B11 99.89(17) . . . . ?
B9 B5 B10 B12 35.82(15) . . . . ?
B9 B8 B12 B7 -138.32(16) . . . . ?
B9 B8 B12 B10 -37.92(14) . . . . ?
B9 B8 B12 B11 -101.05(16) . . . . ?
B9 B10 B11 C2 61.88(18) . . . . ?
B9 B10 B11 B6 101.24(17) . . . . ?
B9 B10 B11 B7 -1.1(2) . . . . ?
B9 B10 B11 B12 -37.75(15) . . . . ?
B9 B10 B12 B7 100.62(17) . . . . ?
B9 B10 B12 B8 37.58(14) . . . . ?
B9 B10 B12 B11 137.53(16) . . . . ?
B10 B5 B6 C1 134.95(16) . . . . ?
B10 B5 B6 C2 98.95(16) . . . . ?
B10 B5 B6 B11 37.60(15) . . . . ?
B10 B5 B9 B4 -138.05(16) . . . . ?
B10 B5 B9 B8 -100.48(17) . . . . ?
B10 B5 B9 B12 -35.83(15) . . . . ?
B10 B6 B11 C2 135.00(15) . . . . ?
B10 B6 B11 B7 99.29(17) . . . . ?
B10 B6 B11 B12 36.58(15) . . . . ?
B10 B9 B12 B7 -100.70(16) . . . . ?
B10 B9 B12 B8 -137.75(16) . . . . ?
B10 B9 B12 B11 -37.86(15) . . . . ?
B10 B11 B12 B7 138.39(17) . . . . ?
B10 B11 B12 B8 101.04(17) . . . . ?
B10 B11 B12 B9 38.11(15) . . . . ?
B11 C2 B3 Ru1 -146.36(15) . . . . ?
B11 C2 B3 C1 99.46(16) . . . . ?
B11 C2 B3 B4 66.11(19) . . . . ?
B11 C2 B3 B7 -36.25(15) . . . . ?
B11 C2 B3 B8 2.0(2) . . . . ?
B11 C2 B6 C1 -136.88(15) . . . . ?
B11 C2 B6 B5 -102.05(16) . . . . ?
B11 C2 B6 B10 -39.81(14) . . . . ?
B11 C2 B7 B3 141.54(16) . . . . ?
B11 C2 B7 B8 104.26(17) . . . . ?
B11 C2 B7 B12 39.86(15) . . . . ?
B11 B6 B10 B5 -138.41(16) . . . . ?
B11 B6 B10 B9 -100.25(17) . . . . ?
B11 B6 B10 B12 -36.93(15) . . . . ?
B11 B7 B8 B3 97.70(16) . . . . ?
B11 B7 B8 B4 60.7(2) . . . . ?
B11 B7 B8 B9 -2.1(2) . . . . ?
B11 B7 B8 B12 -38.83(15) . . . . ?
B11 B7 B12 B8 137.85(16) . . . . ?
B11 B7 B12 B9 100.83(16) . . . . ?
B11 B7 B12 B10 37.07(15) . . . . ?
B11 B10 B12 B7 -36.91(15) . . . . ?
B11 B10 B12 B8 -99.96(16) . . . . ?
B11 B10 B12 B9 -137.53(16) . . . . ?
B12 B7 B8 B3 136.53(16) . . . . ?
B12 B7 B8 B4 99.58(17) . . . . ?
B12 B7 B8 B9 36.71(15) . . . . ?
B12 B7 B11 C2 -135.47(16) . . . . ?
B12 B7 B11 B6 -99.95(17) . . . . ?
B12 B7 B11 B10 -36.94(15) . . . . ?
B12 B8 B9 B4 138.76(15) . . . . ?
B12 B8 B9 B5 101.01(17) . . . . ?
B12 B8 B9 B10 37.73(14) . . . . ?
B12 B9 B10 B5 140.02(16) . . . . ?
B12 B9 B10 B6 101.14(17) . . . . ?
B12 B9 B10 B11 38.00(15) . . . . ?
B12 B10 B11 C2 99.63(16) . . . . ?
B12 B10 B11 B6 138.99(16) . . . . ?
B12 B10 B11 B7 36.66(15) . . . . ?
C101 P1 C111 C112 178.72(15) . . . . ?
C101 P1 C111 C116 3.32(19) . . . . ?
C101 P1 C121 C122 -147.18(16) . . . . ?
C101 P1 C121 C126 34.38(18) . . . . ?
C111 P1 C101 C201 -78.15(15) . . . . ?
C111 P1 C121 C122 103.02(16) . . . . ?
C111 P1 C121 C126 -75.42(18) . . . . ?
C111 C112 C113 C114 1.5(3) . . . . ?
C112 C111 C116 C115 -0.3(3) . . . . ?
C112 C113 C114 C115 -1.8(3) . . . . ?
C113 C114 C115 C116 1.0(3) . . . . ?
C114 C115 C116 C111 0.1(3) . . . . ?
C116 C111 C112 C113 -0.5(3) . . . . ?
C121 P1 C101 C201 173.93(13) . . . . ?
C121 P1 C111 C112 -72.12(17) . . . . ?
C121 P1 C111 C116 112.48(17) . . . . ?
C121 C122 C123 C124 0.3(3) . . . . ?
C122 C121 C126 C125 0.3(3) . . . . ?
C122 C123 C124 C125 0.2(3) . . . . ?
C123 C124 C125 C126 -0.4(3) . . . . ?
C124 C125 C126 C121 0.2(3) . . . . ?
C126 C121 C122 C123 -0.5(3) . . . . ?
C201 P2 C211 C212 -108.50(16) . . . . ?
C201 P2 C211 C216 71.06(18) . . . . ?
C201 P2 C221 C222 10.3(2) . . . . ?
C201 P2 C221 C226 -171.61(15) . . . . ?
C211 P2 C201 C101 120.36(14) . . . . ?
C211 P2 C221 C222 119.79(17) . . . . ?
C211 P2 C221 C226 -62.16(16) . . . . ?
C211 C212 C213 C214 -0.6(3) . . . . ?
C212 C211 C216 C215 0.1(3) . . . . ?
C212 C213 C214 C215 0.2(3) . . . . ?
C213 C214 C215 C216 0.2(3) . . . . ?
C214 C215 C216 C211 -0.4(3) . . . . ?
C216 C211 C212 C213 0.4(3) . . . . ?
C221 P2 C201 C101 -131.82(14) . . . . ?
C221 P2 C211 C212 139.61(16) . . . . ?
C221 P2 C211 C216 -40.83(18) . . . . ?
C221 C222 C223 C224 -1.0(3) . . . . ?
C222 C221 C226 C225 2.1(3) . . . . ?
C222 C223 C224 C225 2.4(3) . . . . ?
C223 C224 C225 C226 -1.4(3) . . . . ?
C224 C225 C226 C221 -0.8(3) . . . . ?
C226 C221 C222 C223 -1.2(3) . . . . ?
C1' C1 C2 Ru1 -39.08(16) . . . . ?
C1' C1 C2 B3 -105.32(17) . . . . ?
C1' C1 C2 B6 109.24(16) . . . . ?
C1' C1 C2 B7 -145.92(15) . . . . ?
C1' C1 C2 B11 148.71(15) . . . . ?
C1' C1 B3 Ru1 51.66(15) . . . . ?
C1' C1 B3 C2 104.06(16) . . . . ?
C1' C1 B3 B4 -114.00(17) . . . . ?
C1' C1 B3 B7 143.68(16) . . . . ?
C1' C1 B3 B8 -152.96(16) . . . . ?
C1' C1 B4 B3 103.91(18) . . . . ?
C1' C1 B4 B5 -116.23(19) . . . . ?
C1' C1 B4 B8 142.06(17) . . . . ?
C1' C1 B4 B9 -155.87(16) . . . . ?
C1' C1 B5 B4 111.49(19) . . . . ?
C1' C1 B5 B6 -106.93(19) . . . . ?
C1' C1 B5 B9 151.41(17) . . . . ?
C1' C1 B5 B10 -145.72(17) . . . . ?
C1' C1 B6 C2 -103.53(17) . . . . ?
C1' C1 B6 B5 117.29(18) . . . . ?
C1' C1 B6 B10 156.25(16) . . . . ?
C1' C1 B6 B11 -140.76(16) . . . . ?
C1' C2' B3' Ru1 -94.01(14) . . . . ?
C1' C2' B3' B4' 36.05(12) . . . . ?
C1' C2' B3' B7' 136.33(16) . . . . ?
C1' C2' B3' B8' 94.52(14) . . . . ?
C1' C2' B6' B5' -35.81(13) . . . . ?
C1' C2' B6' B10' -98.08(15) . . . . ?
C1' C2' B6' B11' -138.68(15) . . . . ?
C1' C2' B7' B3' -42.05(14) . . . . ?
C1' C2' B7' B8' 1.8(2) . . . . ?
C1' C2' B7' B11' 104.58(17) . . . . ?
C1' C2' B7' B12' 64.53(18) . . . . ?
C1' C2' B11' B6' 39.09(14) . . . . ?
C1' C2' B11' B7' -104.60(16) . . . . ?
C1' C2' B11' B10' -1.4(2) . . . . ?
C1' C2' B11' B12' -64.25(18) . . . . ?
C1' B3' B4' B5' 30.80(14) . . . . ?
C1' B3' B4' B8' 131.19(15) . . . . ?
C1' B3' B4' B9' 96.30(16) . . . . ?
C1' B3' B7' C2' 33.82(12) . . . . ?
C1' B3' B7' B8' -95.73(14) . . . . ?
C1' B3' B7' B11' 3.39(19) . . . . ?
C1' B3' B7' B12' -61.15(17) . . . . ?
C1' B3' B8' B4' -38.69(12) . . . . ?
C1' B3' B8' B7' 93.69(14) . . . . ?
C1' B3' B8' B9' -4.57(17) . . . . ?
C1' B3' B8' B12' 59.36(17) . . . . ?
C1' B4' B5' B6' 33.86(14) . . . . ?
C1' B4' B5' B9' 134.46(15) . . . . ?
C1' B4' B5' B10' 96.57(16) . . . . ?
C1' B4' B8' B3' 43.80(14) . . . . ?
C1' B4' B8' B7' 1.25(19) . . . . ?
C1' B4' B8' B9' -98.85(16) . . . . ?
C1' B4' B8' B12' -61.62(18) . . . . ?
C1' B4' B9' B5' -39.19(14) . . . . ?
C1' B4' B9' B8' 100.05(15) . . . . ?
C1' B4' B9' B10' -1.53(19) . . . . ?
C1' B4' B9' B12' 62.09(18) . . . . ?
C1' B5' B6' C2' 34.83(13) . . . . ?
C1' B5' B6' B10' 133.59(15) . . . . ?
C1' B5' B6' B11' 94.92(16) . . . . ?
C1' B5' B9' B4' 38.61(13) . . . . ?
C1' B5' B9' B8' 2.37(19) . . . . ?
C1' B5' B9' B10' -99.20(16) . . . . ?
C1' B5' B9' B12' -61.50(18) . . . . ?
C1' B5' B10' B6' -40.23(14) . . . . ?
C1' B5' B10' B9' 97.97(16) . . . . ?
C1' B5' B10' B11' -1.6(2) . . . . ?
C1' B5' B10' B12' 61.01(19) . . . . ?
C1' B6' B10' B5' 39.39(13) . . . . ?
C1' B6' B10' B9' 2.25(19) . . . . ?
C1' B6' B10' B11' -97.29(15) . . . . ?
C1' B6' B10' B12' -60.28(18) . . . . ?
C1' B6' B11' C2' -34.20(13) . . . . ?
C1' B6' B11' B7' -2.27(19) . . . . ?
C1' B6' B11' B10' 99.08(15) . . . . ?
C1' B6' B11' B12' 61.44(18) . . . . ?
C2' C1' B3' Ru1 110.53(14) . . . . ?
C2' C1' B3' B4' -134.59(15) . . . . ?
C2' C1' B3' B7' -35.01(13) . . . . ?
C2' C1' B3' B8' -94.39(14) . . . . ?
C2' C1' B4' B3' 42.51(14) . . . . ?
C2' C1' B4' B5' -103.99(16) . . . . ?
C2' C1' B4' B8' -0.20(19) . . . . ?
C2' C1' B4' B9' -64.10(18) . . . . ?
C2' C1' B5' B4' 102.78(16) . . . . ?
C2' C1' B5' B6' -39.33(14) . . . . ?
C2' C1' B5' B9' 63.52(18) . . . . ?
C2' C1' B5' B10' 0.79(19) . . . . ?
C2' C1' B6' B5' 137.80(16) . . . . ?
C2' C1' B6' B10' 97.27(16) . . . . ?
C2' C1' B6' B11' 35.09(14) . . . . ?
C2' B3' B4' C1' -34.95(12) . . . . ?
C2' B3' B4' B5' -4.15(18) . . . . ?
C2' B3' B4' B8' 96.24(14) . . . . ?
C2' B3' B4' B9' 61.35(17) . . . . ?
C2' B3' B7' B8' -129.55(16) . . . . ?
C2' B3' B7' B11' -30.44(14) . . . . ?
C2' B3' B7' B12' -94.97(17) . . . . ?
C2' B3' B8' B4' -92.41(14) . . . . ?
C2' B3' B8' B7' 39.98(13) . . . . ?
C2' B3' B8' B9' -58.29(17) . . . . ?
C2' B3' B8' B12' 5.65(18) . . . . ?
C2' B6' B10' B5' 97.23(15) . . . . ?
C2' B6' B10' B9' 60.10(18) . . . . ?
C2' B6' B10' B11' -39.45(13) . . . . ?
C2' B6' B10' B12' -2.44(19) . . . . ?
C2' B6' B11' B7' 31.93(14) . . . . ?
C2' B6' B11' B10' 133.28(16) . . . . ?
C2' B6' B11' B12' 95.63(16) . . . . ?
C2' B7' B8' B3' -44.80(14) . . . . ?
C2' B7' B8' B4' -1.81(19) . . . . ?
C2' B7' B8' B9' 60.64(18) . . . . ?
C2' B7' B8' B12' 97.72(16) . . . . ?
C2' B7' B11' B6' -32.61(14) . . . . ?
C2' B7' B11' B10' -95.93(16) . . . . ?
C2' B7' B11' B12' -133.51(16) . . . . ?
C2' B7' B12' B8' -99.43(15) . . . . ?
C2' B7' B12' B9' -61.59(18) . . . . ?
C2' B7' B12' B10' 2.41(19) . . . . ?
C2' B7' B12' B11' 39.47(13) . . . . ?
C2' B11' B12' B7' -39.22(14) . . . . ?
C2' B11' B12' B8' -2.6(2) . . . . ?
C2' B11' B12' B9' 61.42(19) . . . . ?
C2' B11' B12' B10' 99.32(16) . . . . ?
B3' C1' C2' B6' 150.06(15) . . . . ?
B3' C1' C2' B7' 41.35(15) . . . . ?
B3' C1' C2' B11' 110.89(16) . . . . ?
B3' C1' B4' B5' -146.50(15) . . . . ?
B3' C1' B4' B8' -42.71(14) . . . . ?
B3' C1' B4' B9' -106.61(15) . . . . ?
B3' C1' B5' B4' 33.38(15) . . . . ?
B3' C1' B5' B6' -108.73(16) . . . . ?
B3' C1' B5' B9' -5.88(19) . . . . ?
B3' C1' B5' B10' -68.61(18) . . . . ?
B3' C1' B6' C2' -30.11(15) . . . . ?
B3' C1' B6' B5' 107.69(17) . . . . ?
B3' C1' B6' B10' 67.16(19) . . . . ?
B3' C1' B6' B11' 5.0(2) . . . . ?
B3' C2' B6' C1' 30.91(15) . . . . ?
B3' C2' B6' B5' -4.9(2) . . . . ?
B3' C2' B6' B10' -67.16(19) . . . . ?
B3' C2' B6' B11' -107.77(18) . . . . ?
B3' C2' B7' B8' 43.82(14) . . . . ?
B3' C2' B7' B11' 146.63(16) . . . . ?
B3' C2' B7' B12' 106.58(15) . . . . ?
B3' C2' B11' B6' 110.34(17) . . . . ?
B3' C2' B11' B7' -33.36(15) . . . . ?
B3' C2' B11' B10' 69.84(19) . . . . ?
B3' C2' B11' B12' 7.0(2) . . . . ?
B3' B4' B5' C1' -32.00(14) . . . . ?
B3' B4' B5' B6' 1.9(2) . . . . ?
B3' B4' B5' B9' 102.46(17) . . . . ?
B3' B4' B5' B10' 64.6(2) . . . . ?
B3' B4' B8' B7' -42.54(14) . . . . ?
B3' B4' B8' B9' -142.65(15) . . . . ?
B3' B4' B8' B12' -105.41(16) . . . . ?
B3' B4' B9' B5' -104.82(16) . . . . ?
B3' B4' B9' B8' 34.41(14) . . . . ?
B3' B4' B9' B10' -67.16(19) . . . . ?
B3' B4' B9' B12' -3.5(2) . . . . ?
B3' B7' B8' B4' 43.00(14) . . . . ?
B3' B7' B8' B9' 105.45(16) . . . . ?
B3' B7' B8' B12' 142.52(16) . . . . ?
B3' B7' B11' C2' 31.72(15) . . . . ?
B3' B7' B11' B6' -0.9(2) . . . . ?
B3' B7' B11' B10' -64.2(2) . . . . ?
B3' B7' B11' B12' -101.79(17) . . . . ?
B3' B7' B12' B8' -34.43(14) . . . . ?
B3' B7' B12' B9' 3.4(2) . . . . ?
B3' B7' B12' B10' 67.41(19) . . . . ?
B3' B7' B12' B11' 104.47(17) . . . . ?
B3' B8' B9' B4' -35.11(14) . . . . ?
B3' B8' B9' B5' 1.7(2) . . . . ?
B3' B8' B9' B10' 65.19(19) . . . . ?
B3' B8' B9' B12' 102.37(17) . . . . ?
B3' B8' B12' B7' 34.78(14) . . . . ?
B3' B8' B12' B9' -103.06(17) . . . . ?
B3' B8' B12' B10' -65.7(2) . . . . ?
B3' B8' B12' B11' -2.2(2) . . . . ?
B4' C1' C2' B3' -42.37(14) . . . . ?
B4' C1' C2' B6' 107.68(16) . . . . ?
B4' C1' C2' B7' -1.0(2) . . . . ?
B4' C1' C2' B11' 68.51(19) . . . . ?
B4' C1' B3' Ru1 -114.88(14) . . . . ?
B4' C1' B3' C2' 134.59(15) . . . . ?
B4' C1' B3' B7' 99.57(15) . . . . ?
B4' C1' B3' B8' 40.19(13) . . . . ?
B4' C1' B5' B6' -142.10(15) . . . . ?
B4' C1' B5' B9' -39.26(13) . . . . ?
B4' C1' B5' B10' -101.99(16) . . . . ?
B4' C1' B6' C2' -100.74(16) . . . . ?
B4' C1' B6' B5' 37.06(15) . . . . ?
B4' C1' B6' B10' -3.5(2) . . . . ?
B4' C1' B6' B11' -65.66(18) . . . . ?
B4' B3' B7' C2' 89.73(15) . . . . ?
B4' B3' B7' B8' -39.82(14) . . . . ?
B4' B3' B7' B11' 59.29(19) . . . . ?
B4' B3' B7' B12' -5.24(19) . . . . ?
B4' B3' B8' B7' 132.39(15) . . . . ?
B4' B3' B8' B9' 34.12(14) . . . . ?
B4' B3' B8' B12' 98.06(17) . . . . ?
B4' B5' B6' C1' -33.24(14) . . . . ?
B4' B5' B6' C2' 1.59(19) . . . . ?
B4' B5' B6' B10' 100.35(16) . . . . ?
B4' B5' B6' B11' 61.69(19) . . . . ?
B4' B5' B9' B8' -36.24(14) . . . . ?
B4' B5' B9' B10' -137.81(16) . . . . ?
B4' B5' B9' B12' -100.11(16) . . . . ?
B4' B5' B10' B6' -100.85(16) . . . . ?
B4' B5' B10' B9' 37.35(14) . . . . ?
B4' B5' B10' B11' -62.24(19) . . . . ?
B4' B5' B10' B12' 0.4(2) . . . . ?
B4' B8' B9' B5' 36.77(14) . . . . ?
B4' B8' B9' B10' 100.31(16) . . . . ?
B4' B8' B9' B12' 137.48(16) . . . . ?
B4' B8' B12' B7' 100.49(16) . . . . ?
B4' B8' B12' B9' -37.35(14) . . . . ?
B4' B8' B12' B10' 0.0(2) . . . . ?
B4' B8' B12' B11' 63.47(19) . . . . ?
B4' B9' B10' B5' -37.94(14) . . . . ?
B4' B9' B10' B6' -0.5(2) . . . . ?
B4' B9' B10' B11' 62.85(18) . . . . ?
B4' B9' B10' B12' 100.02(16) . . . . ?
B4' B9' B12' B7' 0.1(2) . . . . ?
B4' B9' B12' B8' 37.47(14) . . . . ?
B4' B9' B12' B10' -101.33(16) . . . . ?
B4' B9' B12' B11' -63.76(19) . . . . ?
B5' C1' C2' B3' -110.49(16) . . . . ?
B5' C1' C2' B6' 39.57(15) . . . . ?
B5' C1' C2' B7' -69.14(19) . . . . ?
B5' C1' C2' B11' 0.4(2) . . . . ?
B5' C1' B3' Ru1 -148.46(13) . . . . ?
B5' C1' B3' C2' 101.01(16) . . . . ?
B5' C1' B3' B4' -33.58(15) . . . . ?
B5' C1' B3' B7' 65.99(17) . . . . ?
B5' C1' B3' B8' 6.61(18) . . . . ?
B5' C1' B4' B3' 146.50(15) . . . . ?
B5' C1' B4' B8' 103.79(16) . . . . ?
B5' C1' B4' B9' 39.89(14) . . . . ?
B5' C1' B6' C2' -137.80(15) . . . . ?
B5' C1' B6' B10' -40.53(14) . . . . ?
B5' C1' B6' B11' -102.72(16) . . . . ?
B5' B4' B8' B3' 105.66(16) . . . . ?
B5' B4' B8' B7' 63.12(19) . . . . ?
B5' B4' B8' B9' -36.99(15) . . . . ?
B5' B4' B8' B12' 0.2(2) . . . . ?
B5' B4' B9' B8' 139.24(16) . . . . ?
B5' B4' B9' B10' 37.66(14) . . . . ?
B5' B4' B9' B12' 101.28(16) . . . . ?
B5' B6' B10' B9' -37.14(14) . . . . ?
B5' B6' B10' B11' -136.69(16) . . . . ?
B5' B6' B10' B12' -99.67(16) . . . . ?
B5' B6' B11' C2' -94.54(16) . . . . ?
B5' B6' B11' B7' -62.61(19) . . . . ?
B5' B6' B11' B10' 38.74(15) . . . . ?
B5' B6' B11' B12' 1.1(2) . . . . ?
B5' B9' B10' B6' 37.44(15) . . . . ?
B5' B9' B10' B11' 100.79(16) . . . . ?
B5' B9' B10' B12' 137.96(16) . . . . ?
B5' B9' B12' B7' 63.91(19) . . . . ?
B5' B9' B12' B8' 101.29(16) . . . . ?
B5' B9' B12' B10' -37.51(15) . . . . ?
B5' B9' B12' B11' 0.1(2) . . . . ?
B5' B10' B11' C2' 1.8(2) . . . . ?
B5' B10' B11' B6' -38.65(15) . . . . ?
B5' B10' B11' B7' 62.35(19) . . . . ?
B5' B10' B11' B12' 99.67(16) . . . . ?
B5' B10' B12' B7' -63.40(19) . . . . ?
B5' B10' B12' B8' -0.2(2) . . . . ?
B5' B10' B12' B9' 37.11(15) . . . . ?
B5' B10' B12' B11' -100.74(17) . . . . ?
B6' C1' C2' B3' -150.06(15) . . . . ?
B6' C1' C2' B7' -108.71(17) . . . . ?
B6' C1' C2' B11' -39.17(15) . . . . ?
B6' C1' B3' Ru1 140.29(13) . . . . ?
B6' C1' B3' C2' 29.77(15) . . . . ?
B6' C1' B3' B4' -104.82(17) . . . . ?
B6' C1' B3' B7' -5.25(19) . . . . ?
B6' C1' B3' B8' -64.63(18) . . . . ?
B6' C1' B4' B3' 109.79(16) . . . . ?
B6' C1' B4' B5' -36.71(15) . . . . ?
B6' C1' B4' B8' 67.08(19) . . . . ?
B6' C1' B4' B9' 3.2(2) . . . . ?
B6' C1' B5' B4' 142.10(15) . . . . ?
B6' C1' B5' B9' 102.85(15) . . . . ?
B6' C1' B5' B10' 40.12(14) . . . . ?
B6' C2' B3' Ru1 -124.39(15) . . . . ?
B6' C2' B3' C1' -30.38(15) . . . . ?
B6' C2' B3' B4' 5.67(19) . . . . ?
B6' C2' B3' B7' 105.95(18) . . . . ?
B6' C2' B3' B8' 64.13(18) . . . . ?
B6' C2' B7' B3' -110.90(16) . . . . ?
B6' C2' B7' B8' -67.08(19) . . . . ?
B6' C2' B7' B11' 35.74(15) . . . . ?
B6' C2' B7' B12' -4.3(2) . . . . ?
B6' C2' B11' B7' -143.69(16) . . . . ?
B6' C2' B11' B10' -40.50(14) . . . . ?
B6' C2' B11' B12' -103.35(16) . . . . ?
B6' B5' B9' B4' 100.73(16) . . . . ?
B6' B5' B9' B8' 64.49(18) . . . . ?
B6' B5' B9' B10' -37.08(15) . . . . ?
B6' B5' B9' B12' 0.6(2) . . . . ?
B6' B5' B10' B9' 138.20(16) . . . . ?
B6' B5' B10' B11' 38.61(15) . . . . ?
B6' B5' B10' B12' 101.24(17) . . . . ?
B6' B10' B11' C2' 40.49(14) . . . . ?
B6' B10' B11' B7' 101.01(16) . . . . ?
B6' B10' B11' B12' 138.33(16) . . . . ?
B6' B10' B12' B7' 0.1(2) . . . . ?
B6' B10' B12' B8' 63.21(19) . . . . ?
B6' B10' B12' B9' 100.56(16) . . . . ?
B6' B10' B12' B11' -37.29(14) . . . . ?
B6' B11' B12' B7' -101.36(16) . . . . ?
B6' B11' B12' B8' -64.75(19) . . . . ?
B6' B11' B12' B9' -0.7(2) . . . . ?
B6' B11' B12' B10' 37.18(15) . . . . ?
B7' C2' B3' Ru1 129.66(15) . . . . ?
B7' C2' B3' C1' -136.33(16) . . . . ?
B7' C2' B3' B4' -100.28(15) . . . . ?
B7' C2' B3' B8' -41.82(14) . . . . ?
B7' C2' B6' C1' 102.45(16) . . . . ?
B7' C2' B6' B5' 66.63(18) . . . . ?
B7' C2' B6' B10' 4.4(2) . . . . ?
B7' C2' B6' B11' -36.23(15) . . . . ?
B7' C2' B11' B6' 143.69(16) . . . . ?
B7' C2' B11' B10' 103.19(16) . . . . ?
B7' C2' B11' B12' 40.35(14) . . . . ?
B7' B3' B4' C1' -90.96(14) . . . . ?
B7' B3' B4' B5' -60.16(18) . . . . ?
B7' B3' B4' B8' 40.23(13) . . . . ?
B7' B3' B4' B9' 5.35(19) . . . . ?
B7' B3' B8' B4' -132.39(15) . . . . ?
B7' B3' B8' B9' -98.27(17) . . . . ?
B7' B3' B8' B12' -34.33(15) . . . . ?
B7' B8' B9' B4' -100.07(16) . . . . ?
B7' B8' B9' B5' -63.30(18) . . . . ?
B7' B8' B9' B10' 0.2(2) . . . . ?
B7' B8' B9' B12' 37.41(14) . . . . ?
B7' B8' B12' B9' -137.84(16) . . . . ?
B7' B8' B12' B10' -100.49(17) . . . . ?
B7' B8' B12' B11' -37.02(15) . . . . ?
B7' B11' B12' B8' 36.60(14) . . . . ?
B7' B11' B12' B9' 100.64(16) . . . . ?
B7' B11' B12' B10' 138.54(15) . . . . ?
B8' B3' B4' C1' -131.19(15) . . . . ?
B8' B3' B4' B5' -100.39(17) . . . . ?
B8' B3' B4' B9' -34.88(15) . . . . ?
B8' B3' B7' C2' 129.55(16) . . . . ?
B8' B3' B7' B11' 99.11(17) . . . . ?
B8' B3' B7' B12' 34.58(15) . . . . ?
B8' B4' B5' C1' -96.97(16) . . . . ?
B8' B4' B5' B6' -63.11(19) . . . . ?
B8' B4' B5' B9' 37.49(15) . . . . ?
B8' B4' B5' B10' -0.4(2) . . . . ?
B8' B4' B9' B5' -139.24(16) . . . . ?
B8' B4' B9' B10' -101.57(16) . . . . ?
B8' B4' B9' B12' -37.96(14) . . . . ?
B8' B7' B11' C2' 96.36(16) . . . . ?
B8' B7' B11' B6' 63.76(19) . . . . ?
B8' B7' B11' B10' 0.4(2) . . . . ?
B8' B7' B11' B12' -37.15(14) . . . . ?
B8' B7' B12' B9' 37.84(15) . . . . ?
B8' B7' B12' B10' 101.84(16) . . . . ?
B8' B7' B12' B11' 138.90(16) . . . . ?
B8' B9' B10' B5' -100.76(16) . . . . ?
B8' B9' B10' B6' -63.31(19) . . . . ?
B8' B9' B10' B11' 0.0(2) . . . . ?
B8' B9' B10' B12' 37.20(14) . . . . ?
B8' B9' B12' B7' -37.38(15) . . . . ?
B8' B9' B12' B10' -138.80(16) . . . . ?
B8' B9' B12' B11' -101.23(17) . . . . ?
B9' B4' B5' C1' -134.46(15) . . . . ?
B9' B4' B5' B6' -100.60(16) . . . . ?
B9' B4' B5' B10' -37.89(15) . . . . ?
B9' B4' B8' B3' 142.65(15) . . . . ?
B9' B4' B8' B7' 100.11(16) . . . . ?
B9' B4' B8' B12' 37.24(14) . . . . ?
B9' B5' B6' C1' -95.98(16) . . . . ?
B9' B5' B6' C2' -61.15(18) . . . . ?
B9' B5' B6' B10' 37.61(15) . . . . ?
B9' B5' B6' B11' -1.1(2) . . . . ?
B9' B5' B10' B6' -138.20(16) . . . . ?
B9' B5' B10' B11' -99.59(17) . . . . ?
B9' B5' B10' B12' -36.96(15) . . . . ?
B9' B8' B12' B7' 137.84(16) . . . . ?
B9' B8' B12' B10' 37.35(15) . . . . ?
B9' B8' B12' B11' 100.82(17) . . . . ?
B9' B10' B11' C2' -60.81(18) . . . . ?
B9' B10' B11' B6' -101.29(16) . . . . ?
B9' B10' B11' B7' -0.3(2) . . . . ?
B9' B10' B11' B12' 37.03(14) . . . . ?
B9' B10' B12' B7' -100.51(16) . . . . ?
B9' B10' B12' B8' -37.35(15) . . . . ?
B9' B10' B12' B11' -137.85(16) . . . . ?
B10' B5' B6' C1' -133.59(15) . . . . ?
B10' B5' B6' C2' -98.76(16) . . . . ?
B10' B5' B6' B11' -38.66(15) . . . . ?
B10' B5' B9' B4' 137.81(16) . . . . ?
B10' B5' B9' B8' 101.57(16) . . . . ?
B10' B5' B9' B12' 37.70(15) . . . . ?
B10' B6' B11' C2' -133.28(16) . . . . ?
B10' B6' B11' B7' -101.36(17) . . . . ?
B10' B6' B11' B12' -37.65(15) . . . . ?
B10' B9' B12' B7' 101.42(17) . . . . ?
B10' B9' B12' B8' 138.80(16) . . . . ?
B10' B9' B12' B11' 37.57(15) . . . . ?
B10' B11' B12' B7' -138.54(15) . . . . ?
B10' B11' B12' B8' -101.93(16) . . . . ?
B10' B11' B12' B9' -37.90(15) . . . . ?
B11' C2' B3' Ru1 163.46(13) . . . . ?
B11' C2' B3' C1' -102.53(17) . . . . ?
B11' C2' B3' B4' -66.48(18) . . . . ?
B11' C2' B3' B7' 33.80(16) . . . . ?
B11' C2' B3' B8' -8.02(19) . . . . ?
B11' C2' B6' C1' 138.68(15) . . . . ?
B11' C2' B6' B5' 102.86(16) . . . . ?
B11' C2' B6' B10' 40.60(14) . . . . ?
B11' C2' B7' B3' -146.63(16) . . . . ?
B11' C2' B7' B8' -102.82(16) . . . . ?
B11' C2' B7' B12' -40.05(14) . . . . ?
B11' B6' B10' B5' 136.69(16) . . . . ?
B11' B6' B10' B9' 99.55(16) . . . . ?
B11' B6' B10' B12' 37.01(14) . . . . ?
B11' B7' B8' B3' -105.85(16) . . . . ?
B11' B7' B8' B4' -62.86(19) . . . . ?
B11' B7' B8' B9' -0.41(19) . . . . ?
B11' B7' B8' B12' 36.66(14) . . . . ?
B11' B7' B12' B8' -138.90(16) . . . . ?
B11' B7' B12' B9' -101.06(16) . . . . ?
B11' B7' B12' B10' -37.06(14) . . . . ?
B11' B10' B12' B7' 37.35(14) . . . . ?
B11' B10' B12' B8' 100.50(17) . . . . ?
B11' B10' B12' B9' 137.85(16) . . . . ?
B12' B7' B8' B3' -142.52(16) . . . . ?
B12' B7' B8' B4' -99.52(16) . . . . ?
B12' B7' B8' B9' -37.07(14) . . . . ?
B12' B7' B11' C2' 133.51(16) . . . . ?
B12' B7' B11' B6' 100.91(17) . . . . ?
B12' B7' B11' B10' 37.59(14) . . . . ?
B12' B8' B9' B4' -137.48(16) . . . . ?
B12' B8' B9' B5' -100.71(16) . . . . ?
B12' B8' B9' B10' -37.18(14) . . . . ?
B12' B9' B10' B5' -137.96(16) . . . . ?
B12' B9' B10' B6' -100.52(17) . . . . ?
B12' B9' B10' B11' -37.17(14) . . . . ?
B12' B10' B11' C2' -97.84(16) . . . . ?
B12' B10' B11' B6' -138.33(16) . . . . ?
B12' B10' B11' B7' -37.32(14) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
