#------------------------------------------------------------------------------
#$Date: 2021-12-02 01:00:56 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270964 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/93/7129335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7129335
loop_
_publ_author_name
'Jeans, Rebekah'
'Rosair, Georgina'
'Welch, Alan Jeffrey'
_publ_section_title
;
 C,Cʹ-Ru to C,Bʹ-Ru Isomerisation in Bis(phosphine)Ru
 Complexes of [1,1ʹ-Bis(ortho-carborane)]
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC06119D
_journal_year                    2021
_chemical_formula_moiety         'C30 H46 B20 P2 Ru, C0.5 H Cl0.998'
_chemical_formula_sum            'C30.5 H47 B20 Cl P2 Ru'
_chemical_formula_weight         828.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-23
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2021-11-23 deposited with the CCDC.	2021-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.8580(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   38.0931(9)
_cell_length_b                   10.6717(3)
_cell_length_c                   21.3413(5)
_cell_measurement_reflns_used    9276
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.60
_cell_measurement_theta_min      3.92
_cell_volume                     8051.9(4)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            64154
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.729
_diffrn_reflns_theta_min         2.499
_exptl_absorpt_coefficient_mu    4.678
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0881 before and 0.0457 after correction. The Ratio of minimum to maximum transmission is 0.7192. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_description       block
_exptl_crystal_F_000             3367
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8221
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0199P)²+12.1039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0512
_refine_ls_wR_factor_ref         0.0512
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8203
_reflns_number_total             8221
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc06119d2.cif
_cod_data_source_block           8v00099_0m
_cod_original_formula_sum        'C30.50 H47 B20 Cl P2 Ru'
_cod_database_code               7129335
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.455
_shelx_estimated_absorpt_t_min   0.269
_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. Restrained distances
 Cl1-C1S \\sim Cl2-C1S
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl1 \\sim Cl2 \\sim Cl1A: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
4. Others
 1*[Sof(Cl1)]+1*[Sof(Cl2)]+1*[Sof(Cl1A)]=1 with esd of 0.01
 Fixed Sof: C1S(0.5) H1SA(0.5) H1SB(0.5)
5.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), C202(H202), C203(H203),
 C204(H204), C205(H205), C206(H206), C211(H211), C212(H212), C213(H213),
 C214(H214), C215(H215)
5.b Idealised Me refined as rotating group:
 C100(H10A,H10B,H10C), C200(H20A,H20B,H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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'
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 0.63970(2) 0.34310(2) 0.73600(2) 0.00807(4) Uani 1 1 d . . . . .
H6 H 0.6616(5) 0.3079(17) 0.8282(9) 0.019(4) Uiso 1 1 d . . . . .
C1 C 0.61153(4) 0.42713(12) 0.84473(6) 0.0110(2) Uani 1 1 d . . . . .
C2 C 0.59568(4) 0.33282(12) 0.77522(6) 0.0107(2) Uani 1 1 d . . . . .
P3 P 0.61197(2) 0.39489(3) 0.62598(2) 0.00965(7) Uani 1 1 d . . . . .
B3 B 0.56393(4) 0.40793(15) 0.80321(8) 0.0132(3) Uani 1 1 d . . . . .
H3 H 0.5472(5) 0.4843(17) 0.7760(9) 0.016 Uiso 1 1 d . U . . .
P4 P 0.69821(2) 0.29695(3) 0.73198(2) 0.01097(7) Uani 1 1 d . . . . .
B4 B 0.58630(4) 0.41149(15) 0.89421(8) 0.0146(3) Uani 1 1 d . . . . .
H4 H 0.5825(5) 0.4927(17) 0.9208(9) 0.018 Uiso 1 1 d . U . . .
B5 B 0.63214(4) 0.34134(15) 0.91672(8) 0.0144(3) Uani 1 1 d . . . . .
H5 H 0.6566(5) 0.3824(17) 0.9563(9) 0.017 Uiso 1 1 d . U . . .
B6 B 0.63582(4) 0.29464(14) 0.83951(7) 0.0114(3) Uani 1 1 d . . . . .
B7 B 0.55781(4) 0.24880(15) 0.77779(8) 0.0138(3) Uani 1 1 d . . . . .
H7 H 0.5357(5) 0.2248(17) 0.7303(9) 0.017 Uiso 1 1 d . U . . .
B8 B 0.55173(4) 0.29547(16) 0.85347(8) 0.0157(3) Uani 1 1 d . . . . .
H8 H 0.5248(5) 0.2977(17) 0.8585(9) 0.019 Uiso 1 1 d . U . . .
B9 B 0.59405(5) 0.25334(16) 0.92314(8) 0.0165(3) Uani 1 1 d . . . . .
H9 H 0.5941(5) 0.2289(17) 0.9722(9) 0.020 Uiso 1 1 d . U . . .
B10 B 0.62578(5) 0.18096(15) 0.89009(8) 0.0152(3) Uani 1 1 d . . . . .
H10 H 0.6466(5) 0.1113(17) 0.9167(9) 0.018 Uiso 1 1 d . U . . .
B11 B 0.60246(4) 0.17773(14) 0.80092(8) 0.0131(3) Uani 1 1 d . . . . .
H11 H 0.6090(5) 0.1151(17) 0.7676(9) 0.016 Uiso 1 1 d . U . . .
B12 B 0.57579(5) 0.15247(15) 0.85195(8) 0.0164(3) Uani 1 1 d . . . . .
H12 H 0.5626(5) 0.0612(17) 0.8541(9) 0.020 Uiso 1 1 d . U . . .
C100 C 0.73116(4) 0.41122(14) 0.72214(7) 0.0184(3) Uani 1 1 d . . . . .
H10A H 0.753243 0.367787 0.719554 0.028 Uiso 1 1 calc R U . . .
H10B H 0.739281 0.468212 0.760935 0.028 Uiso 1 1 calc R U . . .
H10C H 0.718707 0.459302 0.680617 0.028 Uiso 1 1 calc R U . . .
C101 C 0.69284(4) 0.18091(14) 0.66588(7) 0.0182(3) Uani 1 1 d . . . . .
C102 C 0.70996(5) 0.19379(19) 0.61859(8) 0.0282(4) Uani 1 1 d . . . . .
H102 H 0.726463 0.262307 0.621772 0.034 Uiso 1 1 calc R U . . .
C103 C 0.70295(6) 0.1068(2) 0.56699(9) 0.0409(5) Uani 1 1 d . . . . .
H103 H 0.714534 0.116372 0.534801 0.049 Uiso 1 1 calc R U . . .
C104 C 0.67929(6) 0.0068(2) 0.56228(9) 0.0443(6) Uani 1 1 d . . . . .
H104 H 0.674682 -0.052466 0.526896 0.053 Uiso 1 1 calc R U . . .
C105 C 0.66211(6) -0.00800(17) 0.60890(9) 0.0357(4) Uani 1 1 d . . . . .
H105 H 0.645936 -0.077481 0.605673 0.043 Uiso 1 1 calc R U . . .
C106 C 0.66871(4) 0.07942(15) 0.66032(8) 0.0233(3) Uani 1 1 d . . . . .
H106 H 0.656725 0.070059 0.691913 0.028 Uiso 1 1 calc R U . . .
C111 C 0.72735(4) 0.21447(13) 0.80978(6) 0.0127(2) Uani 1 1 d . . . . .
C112 C 0.71096(4) 0.11915(13) 0.83464(7) 0.0147(3) Uani 1 1 d . . . . .
H112 H 0.685522 0.095267 0.809773 0.018 Uiso 1 1 calc R U . . .
C113 C 0.73109(4) 0.05872(13) 0.89491(7) 0.0173(3) Uani 1 1 d . . . . .
H113 H 0.719535 -0.006381 0.910794 0.021 Uiso 1 1 calc R U . . .
C114 C 0.76819(4) 0.09358(14) 0.93199(7) 0.0203(3) Uani 1 1 d . . . . .
H114 H 0.781972 0.053456 0.973670 0.024 Uiso 1 1 calc R U . . .
C115 C 0.78499(4) 0.18738(15) 0.90777(8) 0.0213(3) Uani 1 1 d . . . . .
H115 H 0.810416 0.210982 0.932903 0.026 Uiso 1 1 calc R U . . .
C116 C 0.76491(4) 0.24718(14) 0.84698(7) 0.0175(3) Uani 1 1 d . . . . .
H116 H 0.776799 0.310642 0.830674 0.021 Uiso 1 1 calc R U . . .
C200 C 0.64142(4) 0.46282(13) 0.58448(7) 0.0145(3) Uani 1 1 d . . . . .
H20A H 0.625771 0.482489 0.537480 0.022 Uiso 1 1 calc R U . . .
H20B H 0.661123 0.402829 0.585599 0.022 Uiso 1 1 calc R U . . .
H20C H 0.653237 0.539752 0.608009 0.022 Uiso 1 1 calc R U . . .
C201 C 0.57071(4) 0.49876(13) 0.60057(6) 0.0129(3) Uani 1 1 d . . . . .
C202 C 0.56802(4) 0.60464(14) 0.56080(7) 0.0181(3) Uani 1 1 d . . . . .
H202 H 0.588583 0.626643 0.548000 0.022 Uiso 1 1 calc R U . . .
C203 C 0.53567(5) 0.67828(15) 0.53967(8) 0.0239(3) Uani 1 1 d . . . . .
H203 H 0.534256 0.750020 0.512483 0.029 Uiso 1 1 calc R U . . .
C204 C 0.50541(4) 0.64792(15) 0.55795(8) 0.0240(3) Uani 1 1 d . . . . .
H204 H 0.483165 0.697842 0.542984 0.029 Uiso 1 1 calc R U . . .
C205 C 0.50797(4) 0.54397(15) 0.59830(8) 0.0224(3) Uani 1 1 d . . . . .
H205 H 0.487499 0.523354 0.611624 0.027 Uiso 1 1 calc R U . . .
C206 C 0.54021(4) 0.46966(14) 0.61944(7) 0.0170(3) Uani 1 1 d . . . . .
H206 H 0.541565 0.398441 0.646952 0.020 Uiso 1 1 calc R U . . .
C210 C 0.59195(4) 0.25470(13) 0.57578(6) 0.0127(3) Uani 1 1 d . . . . .
C211 C 0.59707(4) 0.22769(13) 0.51573(7) 0.0161(3) Uani 1 1 d . . . . .
H211 H 0.611837 0.282176 0.500223 0.019 Uiso 1 1 calc R U . . .
C212 C 0.58072(4) 0.12166(15) 0.47849(7) 0.0207(3) Uani 1 1 d . . . . .
H212 H 0.584473 0.103829 0.437820 0.025 Uiso 1 1 calc R U . . .
C213 C 0.55900(5) 0.04194(14) 0.50037(8) 0.0233(3) Uani 1 1 d . . . . .
H213 H 0.547560 -0.029769 0.474425 0.028 Uiso 1 1 calc R U . . .
C214 C 0.55393(5) 0.06694(15) 0.56039(8) 0.0240(3) Uani 1 1 d . . . . .
H214 H 0.539164 0.012032 0.575657 0.029 Uiso 1 1 calc R U . . .
C215 C 0.57050(4) 0.17235(14) 0.59800(7) 0.0188(3) Uani 1 1 d . . . . .
H215 H 0.567215 0.188608 0.639246 0.023 Uiso 1 1 calc R U . . .
C1' C 0.62966(4) 0.54683(13) 0.83373(6) 0.0121(2) Uani 1 1 d . . . . .
C2' C 0.60943(4) 0.61759(13) 0.76238(7) 0.0133(3) Uani 1 1 d . . . . .
H2' H 0.5861(5) 0.5837(17) 0.7322(9) 0.016 Uiso 1 1 d . U . . .
B3' B 0.65020(4) 0.52235(14) 0.76919(7) 0.0123(3) Uani 1 1 d . . . . .
B4' B 0.67768(4) 0.55583(15) 0.85852(8) 0.0141(3) Uani 1 1 d . . . . .
H4' H 0.6940(5) 0.4823(17) 0.8882(9) 0.017 Uiso 1 1 d . U . . .
B5' B 0.65229(5) 0.65121(15) 0.89651(8) 0.0166(3) Uani 1 1 d . . . . .
H5' H 0.6542(5) 0.6288(17) 0.9466(9) 0.020 Uiso 1 1 d . U . . .
B6' B 0.60739(5) 0.68897(15) 0.83377(8) 0.0171(3) Uani 1 1 d . . . . .
H6' H 0.5816(5) 0.6872(17) 0.8411(9) 0.020 Uiso 1 1 d . U . . .
B7' B 0.64081(5) 0.67780(16) 0.73217(8) 0.0163(3) Uani 1 1 d . . . . .
H7' H 0.6333(5) 0.6850(17) 0.6780(9) 0.020 Uiso 1 1 d . U . . .
B8' B 0.68573(5) 0.64349(15) 0.79471(8) 0.0158(3) Uani 1 1 d . . . . .
H8' H 0.7102(5) 0.6324(17) 0.7830(9) 0.019 Uiso 1 1 d . U . . .
B9' B 0.68771(5) 0.71790(16) 0.87141(8) 0.0181(3) Uani 1 1 d . . . . .
H9' H 0.7147(5) 0.7479(18) 0.9094(9) 0.022 Uiso 1 1 d . U . . .
B10' B 0.64431(5) 0.80002(16) 0.85568(9) 0.0201(3) Uani 1 1 d . . . . .
H10' H 0.6423(5) 0.8821(19) 0.8816(10) 0.024 Uiso 1 1 d . U . . .
B11' B 0.61550(5) 0.77522(15) 0.76914(9) 0.0192(3) Uani 1 1 d . . . . .
H11' H 0.5930(6) 0.8326(17) 0.7373(10) 0.023 Uiso 1 1 d . U . . .
B12' B 0.66496(5) 0.79418(16) 0.79251(9) 0.0196(3) Uani 1 1 d . . . . .
H12' H 0.6760(5) 0.8754(19) 0.7764(9) 0.024 Uiso 1 1 d . U . . .
Cl1 Cl 0.49826(6) -0.1744(4) 0.81859(16) 0.0580(9) Uani 0.669(13) 1 d D U P A -1
Cl2 Cl 0.5064(4) -0.129(3) 0.6939(4) 0.117(5) Uani 0.246(14) 1 d D . P . .
Cl1A Cl 0.4948(3) -0.2289(18) 0.7970(17) 0.083(6) Uani 0.082(9) 1 d . U P A -1
C1S C 0.48893(11) -0.0867(4) 0.7499(2) 0.0374(9) Uani 0.5 1 d D . P A -1
H1SA H 0.4617(15) -0.074(5) 0.728(2) 0.045 Uiso 0.5 1 d . U P B -1
H1SB H 0.5055(17) -0.007(4) 0.765(2) 0.045 Uiso 0.5 1 d . U P C -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Ru1 H6 71.6(6) . . ?
C2 Ru1 P3 106.77(4) . . ?
C2 Ru1 P4 155.50(4) . . ?
C2 Ru1 B6 43.97(5) . . ?
P3 Ru1 H6 177.0(6) . . ?
P3 Ru1 P4 95.607(12) . . ?
P3 Ru1 B6 150.72(4) . . ?
P4 Ru1 H6 86.5(6) . . ?
P4 Ru1 B6 112.98(4) . . ?
B6 Ru1 H6 27.8(6) . . ?
B3' Ru1 H6 82.5(6) . . ?
B3' Ru1 C2 89.60(5) . . ?
B3' Ru1 P3 95.02(4) . . ?
B3' Ru1 P4 98.41(4) . . ?
B3' Ru1 B6 87.24(6) . . ?
C2 C1 B3 60.97(8) . . ?
C2 C1 B5 111.18(10) . . ?
C2 C1 B6 58.82(8) . . ?
B3 C1 B6 111.19(10) . . ?
B4 C1 C2 112.83(10) . . ?
B4 C1 B3 64.47(9) . . ?
B4 C1 B5 63.91(9) . . ?
B4 C1 B6 114.05(11) . . ?
B5 C1 B3 116.49(11) . . ?
B5 C1 B6 62.50(8) . . ?
C1' C1 C2 113.43(10) . . ?
C1' C1 B3 118.62(11) . . ?
C1' C1 B4 125.67(11) . . ?
C1' C1 B5 120.60(11) . . ?
C1' C1 B6 113.42(10) . . ?
C1 C2 Ru1 103.60(7) . . ?
C1 C2 B3 59.57(8) . . ?
C1 C2 B7 108.04(10) . . ?
C1 C2 B11 109.00(10) . . ?
B3 C2 Ru1 149.50(9) . . ?
B3 C2 B11 111.95(10) . . ?
B6 C2 Ru1 74.00(7) . . ?
B6 C2 C1 60.88(8) . . ?
B6 C2 B3 111.74(10) . . ?
B6 C2 B7 111.55(10) . . ?
B6 C2 B11 61.76(8) . . ?
B7 C2 Ru1 146.14(9) . . ?
B7 C2 B3 61.81(9) . . ?
B7 C2 B11 61.24(9) . . ?
B11 C2 Ru1 97.29(8) . . ?
C200 P3 Ru1 118.03(4) . . ?
C200 P3 C201 103.38(6) . . ?
C200 P3 C210 103.80(6) . . ?
C201 P3 Ru1 118.28(4) . . ?
C201 P3 C210 101.32(6) . . ?
C210 P3 Ru1 109.89(4) . . ?
C1 B3 C2 59.46(8) . . ?
C1 B3 H3 119.7(9) . . ?
C1 B3 B4 57.00(8) . . ?
C1 B3 B7 105.49(10) . . ?
C1 B3 B8 103.46(10) . . ?
C2 B3 H3 121.3(9) . . ?
C2 B3 B4 105.65(10) . . ?
C2 B3 B7 58.67(8) . . ?
C2 B3 B8 105.54(11) . . ?
B4 B3 H3 121.2(9) . . ?
B7 B3 H3 125.7(9) . . ?
B7 B3 B4 107.75(11) . . ?
B7 B3 B8 60.32(9) . . ?
B8 B3 H3 127.4(9) . . ?
B8 B3 B4 59.46(9) . . ?
C100 P4 Ru1 125.26(5) . . ?
C100 P4 C101 104.42(7) . . ?
C100 P4 C111 102.40(6) . . ?
C101 P4 Ru1 109.84(5) . . ?
C101 P4 C111 103.21(6) . . ?
C111 P4 Ru1 109.48(4) . . ?
C1 B4 B3 58.53(8) . . ?
C1 B4 H4 118.3(10) . . ?
C1 B4 B5 58.81(8) . . ?
C1 B4 B8 104.74(10) . . ?
C1 B4 B9 104.60(11) . . ?
B3 B4 H4 118.8(9) . . ?
B5 B4 B3 107.56(10) . . ?
B5 B4 H4 120.3(9) . . ?
B8 B4 B3 59.58(9) . . ?
B8 B4 H4 126.6(9) . . ?
B8 B4 B5 108.05(11) . . ?
B8 B4 B9 60.52(9) . . ?
B9 B4 B3 107.65(11) . . ?
B9 B4 H4 128.1(9) . . ?
B9 B4 B5 59.54(9) . . ?
C1 B5 B4 57.28(8) . . ?
C1 B5 H5 117.1(10) . . ?
C1 B5 B6 58.97(8) . . ?
C1 B5 B9 103.75(11) . . ?
C1 B5 B10 105.32(10) . . ?
B4 B5 H5 120.4(10) . . ?
B6 B5 B4 105.89(10) . . ?
B6 B5 H5 119.5(9) . . ?
B6 B5 B10 59.05(8) . . ?
B9 B5 B4 59.96(9) . . ?
B9 B5 H5 129.8(9) . . ?
B9 B5 B6 105.79(11) . . ?
B9 B5 B10 60.09(9) . . ?
B10 B5 B4 108.10(11) . . ?
B10 B5 H5 127.3(10) . . ?
Ru1 B6 H6 52.2(9) . . ?
C1 B6 Ru1 96.03(8) . . ?
C1 B6 H6 117.0(10) . . ?
C1 B6 B5 58.53(8) . . ?
C1 B6 B10 106.43(10) . . ?
C1 B6 B11 107.63(10) . . ?
C2 B6 Ru1 62.03(6) . . ?
C2 B6 H6 113.8(9) . . ?
C2 B6 C1 60.30(8) . . ?
C2 B6 B5 109.11(10) . . ?
C2 B6 B10 109.20(11) . . ?
C2 B6 B11 60.57(8) . . ?
B5 B6 Ru1 150.85(10) . . ?
B5 B6 H6 123.4(9) . . ?
B10 B6 Ru1 147.31(10) . . ?
B10 B6 H6 129.6(10) . . ?
B10 B6 B5 60.90(9) . . ?
B11 B6 Ru1 90.19(8) . . ?
B11 B6 H6 122.5(10) . . ?
B11 B6 B5 109.99(11) . . ?
B11 B6 B10 60.78(9) . . ?
C2 B7 B3 59.52(8) . . ?
C2 B7 H7 117.7(9) . . ?
C2 B7 B8 106.06(10) . . ?
C2 B7 B11 59.81(8) . . ?
C2 B7 B12 106.12(11) . . ?
B3 B7 H7 118.9(10) . . ?
B3 B7 B8 60.15(9) . . ?
B3 B7 B12 108.38(11) . . ?
B8 B7 H7 126.6(9) . . ?
B8 B7 B12 59.85(9) . . ?
B11 B7 B3 108.93(11) . . ?
B11 B7 H7 119.8(9) . . ?
B11 B7 B8 107.71(11) . . ?
B11 B7 B12 59.56(9) . . ?
B12 B7 H7 126.8(10) . . ?
B3 B8 B7 59.53(9) . . ?
B3 B8 H8 121.3(10) . . ?
B3 B8 B9 108.18(11) . . ?
B3 B8 B12 108.28(11) . . ?
B4 B8 B3 60.96(9) . . ?
B4 B8 B7 108.31(11) . . ?
B4 B8 H8 119.9(10) . . ?
B4 B8 B9 59.82(9) . . ?
B4 B8 B12 108.16(11) . . ?
B7 B8 H8 123.2(10) . . ?
B7 B8 B9 107.48(11) . . ?
B7 B8 B12 60.34(9) . . ?
B9 B8 H8 121.4(10) . . ?
B12 B8 H8 122.6(10) . . ?
B12 B8 B9 59.53(9) . . ?
B4 B9 B8 59.65(9) . . ?
B4 B9 H9 120.3(10) . . ?
B4 B9 B10 108.76(11) . . ?
B5 B9 B4 60.50(9) . . ?
B5 B9 B8 108.12(11) . . ?
B5 B9 H9 119.7(10) . . ?
B5 B9 B10 60.38(9) . . ?
B5 B9 B12 108.96(11) . . ?
B8 B9 H9 122.8(10) . . ?
B10 B9 B8 108.18(11) . . ?
B10 B9 H9 121.5(10) . . ?
B12 B9 B4 108.37(11) . . ?
B12 B9 B8 59.96(9) . . ?
B12 B9 H9 122.8(10) . . ?
B12 B9 B10 60.52(9) . . ?
B5 B10 H10 120.3(10) . . ?
B5 B10 B12 107.51(11) . . ?
B6 B10 B5 60.05(9) . . ?
B6 B10 B9 106.14(11) . . ?
B6 B10 H10 120.8(10) . . ?
B6 B10 B11 59.45(8) . . ?
B6 B10 B12 105.95(11) . . ?
B9 B10 B5 59.54(9) . . ?
B9 B10 H10 124.2(9) . . ?
B9 B10 B12 59.54(9) . . ?
B11 B10 B5 108.25(11) . . ?
B11 B10 B9 106.83(11) . . ?
B11 B10 H10 121.7(9) . . ?
B11 B10 B12 59.21(9) . . ?
B12 B10 H10 124.6(10) . . ?
C2 B11 B6 57.66(8) . . ?
C2 B11 B7 58.94(8) . . ?
C2 B11 B10 106.07(11) . . ?
C2 B11 H11 115.5(9) . . ?
C2 B11 B12 106.81(11) . . ?
B6 B11 B7 106.35(11) . . ?
B6 B11 B10 59.77(9) . . ?
B6 B11 H11 116.7(9) . . ?
B6 B11 B12 107.58(11) . . ?
B7 B11 B10 109.78(11) . . ?
B7 B11 H11 121.5(9) . . ?
B7 B11 B12 61.30(9) . . ?
B10 B11 H11 125.2(9) . . ?
B12 B11 B10 60.97(9) . . ?
B12 B11 H11 130.1(10) . . ?
B7 B12 B10 107.15(11) . . ?
B7 B12 H12 120.8(9) . . ?
B8 B12 B7 59.81(9) . . ?
B8 B12 B10 108.16(11) . . ?
B8 B12 H12 120.6(9) . . ?
B9 B12 B7 107.82(11) . . ?
B9 B12 B8 60.50(9) . . ?
B9 B12 B10 59.94(9) . . ?
B9 B12 H12 122.5(9) . . ?
B10 B12 H12 123.5(9) . . ?
B11 B12 B7 59.14(9) . . ?
B11 B12 B8 107.33(11) . . ?
B11 B12 B9 107.63(11) . . ?
B11 B12 B10 59.82(9) . . ?
B11 B12 H12 122.3(9) . . ?
P4 C100 H10A 109.5 . . ?
P4 C100 H10B 109.5 . . ?
P4 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 P4 122.79(13) . . ?
C106 C101 P4 118.14(12) . . ?
C106 C101 C102 118.96(15) . . ?
C101 C102 H102 119.9 . . ?
C103 C102 C101 120.23(19) . . ?
C103 C102 H102 119.9 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.25(19) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 119.8 . . ?
C103 C104 C105 120.43(16) . . ?
C105 C104 H104 119.8 . . ?
C104 C105 H105 120.2 . . ?
C104 C105 C106 119.61(19) . . ?
C106 C105 H105 120.2 . . ?
C101 C106 H106 119.7 . . ?
C105 C106 C101 120.50(17) . . ?
C105 C106 H106 119.7 . . ?
C112 C111 P4 119.06(10) . . ?
C116 C111 P4 122.59(11) . . ?
C116 C111 C112 118.28(12) . . ?
C111 C112 H112 119.4 . . ?
C113 C112 C111 121.30(13) . . ?
C113 C112 H112 119.4 . . ?
C112 C113 H113 120.1 . . ?
C112 C113 C114 119.86(14) . . ?
C114 C113 H113 120.1 . . ?
C113 C114 H114 120.2 . . ?
C115 C114 C113 119.58(13) . . ?
C115 C114 H114 120.2 . . ?
C114 C115 H115 119.7 . . ?
C114 C115 C116 120.56(14) . . ?
C116 C115 H115 119.7 . . ?
C111 C116 H116 119.8 . . ?
C115 C116 C111 120.41(14) . . ?
C115 C116 H116 119.8 . . ?
P3 C200 H20A 109.5 . . ?
P3 C200 H20B 109.5 . . ?
P3 C200 H20C 109.5 . . ?
H20A C200 H20B 109.5 . . ?
H20A C200 H20C 109.5 . . ?
H20B C200 H20C 109.5 . . ?
C202 C201 P3 122.06(11) . . ?
C202 C201 C206 118.35(13) . . ?
C206 C201 P3 119.56(10) . . ?
C201 C202 H202 119.6 . . ?
C203 C202 C201 120.78(14) . . ?
C203 C202 H202 119.6 . . ?
C202 C203 H203 119.8 . . ?
C204 C203 C202 120.48(14) . . ?
C204 C203 H203 119.8 . . ?
C203 C204 H204 120.4 . . ?
C205 C204 C203 119.26(14) . . ?
C205 C204 H204 120.4 . . ?
C204 C205 H205 119.7 . . ?
C204 C205 C206 120.55(14) . . ?
C206 C205 H205 119.7 . . ?
C201 C206 H206 119.7 . . ?
C205 C206 C201 120.57(13) . . ?
C205 C206 H206 119.7 . . ?
C211 C210 P3 122.35(11) . . ?
C211 C210 C215 118.74(13) . . ?
C215 C210 P3 118.91(10) . . ?
C210 C211 H211 119.8 . . ?
C212 C211 C210 120.46(13) . . ?
C212 C211 H211 119.8 . . ?
C211 C212 H212 119.8 . . ?
C213 C212 C211 120.31(14) . . ?
C213 C212 H212 119.8 . . ?
C212 C213 H213 120.0 . . ?
C212 C213 C214 119.90(14) . . ?
C214 C213 H213 120.0 . . ?
C213 C214 H214 120.0 . . ?
C215 C214 C213 119.91(14) . . ?
C215 C214 H214 120.0 . . ?
C210 C215 H215 119.7 . . ?
C214 C215 C210 120.67(14) . . ?
C214 C215 H215 119.7 . . ?
C1 C1' C2' 117.14(11) . . ?
C1 C1' B3' 110.05(10) . . ?
C1 C1' B4' 119.89(11) . . ?
C1 C1' B5' 123.74(11) . . ?
C1 C1' B6' 119.07(11) . . ?
C2' C1' B3' 63.07(8) . . ?
C2' C1' B4' 110.25(10) . . ?
C2' C1' B5' 111.03(11) . . ?
C2' C1' B6' 62.02(9) . . ?
B4' C1' B3' 62.26(8) . . ?
B4' C1' B5' 63.30(9) . . ?
B4' C1' B6' 114.69(11) . . ?
B5' C1' B3' 116.68(10) . . ?
B5' C1' B6' 62.26(9) . . ?
B6' C1' B3' 117.93(10) . . ?
C1' C2' H2' 117.2(11) . . ?
C1' C2' B3' 64.48(8) . . ?
C1' C2' B6' 62.49(9) . . ?
C1' C2' B7' 112.46(11) . . ?
C1' C2' B11' 112.41(11) . . ?
B3' C2' H2' 113.3(11) . . ?
B6' C2' H2' 115.2(10) . . ?
B6' C2' B3' 119.55(10) . . ?
B7' C2' H2' 120.1(10) . . ?
B7' C2' B3' 62.36(9) . . ?
B7' C2' B6' 116.13(11) . . ?
B7' C2' B11' 63.91(10) . . ?
B11' C2' H2' 119.8(11) . . ?
B11' C2' B3' 117.55(11) . . ?
B11' C2' B6' 62.50(9) . . ?
C1' B3' Ru1 108.20(8) . . ?
C2' B3' Ru1 116.65(9) . . ?
C2' B3' C1' 52.46(7) . . ?
C2' B3' B4' 96.55(10) . . ?
B4' B3' Ru1 120.56(9) . . ?
B4' B3' C1' 55.36(7) . . ?
B7' B3' Ru1 136.81(9) . . ?
B7' B3' C1' 97.26(10) . . ?
B7' B3' C2' 55.22(8) . . ?
B7' B3' B4' 102.59(10) . . ?
B8' B3' Ru1 144.13(10) . . ?
B8' B3' C1' 98.79(10) . . ?
B8' B3' C2' 98.41(10) . . ?
B8' B3' B4' 58.21(8) . . ?
B8' B3' B7' 58.68(9) . . ?
C1' B4' B3' 62.38(8) . . ?
C1' B4' H4' 118.0(10) . . ?
C1' B4' B5' 58.39(8) . . ?
C1' B4' B8' 105.29(11) . . ?
C1' B4' B9' 104.33(11) . . ?
B3' B4' H4' 117.4(10) . . ?
B5' B4' B3' 112.64(11) . . ?
B5' B4' H4' 116.7(9) . . ?
B8' B4' B3' 59.95(8) . . ?
B8' B4' H4' 128.5(10) . . ?
B8' B4' B5' 108.96(11) . . ?
B8' B4' B9' 60.93(9) . . ?
B9' B4' B3' 110.98(11) . . ?
B9' B4' H4' 126.1(10) . . ?
B9' B4' B5' 59.78(9) . . ?
C1' B5' B4' 58.31(8) . . ?
C1' B5' H5' 117.6(10) . . ?
C1' B5' B6' 59.69(9) . . ?
C1' B5' B9' 104.06(11) . . ?
C1' B5' B10' 104.67(11) . . ?
B4' B5' H5' 118.5(10) . . ?
B6' B5' B4' 108.50(11) . . ?
B6' B5' H5' 119.3(10) . . ?
B6' B5' B10' 59.33(9) . . ?
B9' B5' B4' 59.50(9) . . ?
B9' B5' H5' 127.9(10) . . ?
B9' B5' B6' 107.91(12) . . ?
B9' B5' B10' 60.38(10) . . ?
B10' B5' B4' 107.91(12) . . ?
B10' B5' H5' 128.5(10) . . ?
C1' B6' B5' 58.05(8) . . ?
C1' B6' H6' 117.9(10) . . ?
C1' B6' B10' 104.19(11) . . ?
C1' B6' B11' 103.03(11) . . ?
C2' B6' C1' 55.50(8) . . ?
C2' B6' B5' 102.52(11) . . ?
C2' B6' H6' 118.3(10) . . ?
C2' B6' B10' 103.67(11) . . ?
C2' B6' B11' 57.82(9) . . ?
B5' B6' H6' 125.0(10) . . ?
B10' B6' B5' 60.34(10) . . ?
B10' B6' H6' 132.0(10) . . ?
B10' B6' B11' 60.41(10) . . ?
B11' B6' B5' 107.72(12) . . ?
B11' B6' H6' 124.5(10) . . ?
C2' B7' B3' 62.43(9) . . ?
C2' B7' H7' 119.6(10) . . ?
C2' B7' B8' 104.88(11) . . ?
C2' B7' B11' 58.43(9) . . ?
C2' B7' B12' 103.81(11) . . ?
B3' B7' H7' 117.3(10) . . ?
B8' B7' B3' 60.32(9) . . ?
B8' B7' H7' 127.8(10) . . ?
B8' B7' B11' 108.40(11) . . ?
B8' B7' B12' 60.34(9) . . ?
B11' B7' B3' 112.98(11) . . ?
B11' B7' H7' 117.3(10) . . ?
B12' B7' B3' 110.97(11) . . ?
B12' B7' H7' 125.6(10) . . ?
B12' B7' B11' 59.55(9) . . ?
B3' B8' H8' 118.5(10) . . ?
B4' B8' B3' 61.83(9) . . ?
B4' B8' B7' 107.05(11) . . ?
B4' B8' H8' 122.8(10) . . ?
B4' B8' B9' 59.54(9) . . ?
B4' B8' B12' 107.11(11) . . ?
B7' B8' B3' 61.00(9) . . ?
B7' B8' H8' 122.3(10) . . ?
B7' B8' B9' 107.24(11) . . ?
B7' B8' B12' 60.00(9) . . ?
B9' B8' B3' 111.38(11) . . ?
B9' B8' H8' 121.5(10) . . ?
B12' B8' B3' 111.25(11) . . ?
B12' B8' H8' 121.0(10) . . ?
B12' B8' B9' 59.56(9) . . ?
B4' B9' B5' 60.72(9) . . ?
B4' B9' B8' 59.53(9) . . ?
B4' B9' H9' 119.3(10) . . ?
B4' B9' B10' 108.56(11) . . ?
B4' B9' B12' 107.40(11) . . ?
B5' B9' B8' 108.60(11) . . ?
B5' B9' H9' 120.2(10) . . ?
B5' B9' B10' 59.99(9) . . ?
B5' B9' B12' 108.16(12) . . ?
B8' B9' H9' 121.0(10) . . ?
B10' B9' B8' 108.86(12) . . ?
B10' B9' H9' 122.9(10) . . ?
B12' B9' B8' 59.93(9) . . ?
B12' B9' H9' 124.1(10) . . ?
B12' B9' B10' 60.49(10) . . ?
B5' B10' B9' 59.62(9) . . ?
B5' B10' H10' 121.2(10) . . ?
B5' B10' B12' 107.05(12) . . ?
B6' B10' B5' 60.33(9) . . ?
B6' B10' B9' 108.09(12) . . ?
B6' B10' H10' 119.4(11) . . ?
B6' B10' B11' 60.19(9) . . ?
B6' B10' B12' 107.83(11) . . ?
B9' B10' H10' 123.5(11) . . ?
B9' B10' B12' 59.45(10) . . ?
B11' B10' B5' 107.54(11) . . ?
B11' B10' B9' 106.93(11) . . ?
B11' B10' H10' 122.0(10) . . ?
B11' B10' B12' 59.34(10) . . ?
B12' B10' H10' 124.0(11) . . ?
C2' B11' B6' 59.68(9) . . ?
C2' B11' B7' 57.66(9) . . ?
C2' B11' B10' 104.31(11) . . ?
C2' B11' H11' 117.6(10) . . ?
C2' B11' B12' 103.54(11) . . ?
B6' B11' B7' 108.61(11) . . ?
B6' B11' B10' 59.40(9) . . ?
B6' B11' H11' 117.4(10) . . ?
B7' B11' H11' 119.4(10) . . ?
B10' B11' B7' 108.56(12) . . ?
B10' B11' H11' 127.8(10) . . ?
B12' B11' B6' 108.32(12) . . ?
B12' B11' B7' 59.95(9) . . ?
B12' B11' B10' 60.75(10) . . ?
B12' B11' H11' 129.3(10) . . ?
B7' B12' B8' 59.66(9) . . ?
B7' B12' B10' 108.33(11) . . ?
B7' B12' H12' 119.4(10) . . ?
B8' B12' B10' 108.97(12) . . ?
B8' B12' H12' 120.9(10) . . ?
B9' B12' B7' 107.72(11) . . ?
B9' B12' B8' 60.51(9) . . ?
B9' B12' B10' 60.05(10) . . ?
B9' B12' H12' 124.2(10) . . ?
B10' B12' H12' 123.0(10) . . ?
B11' B12' B7' 60.50(9) . . ?
B11' B12' B8' 108.60(11) . . ?
B11' B12' B9' 107.86(12) . . ?
B11' B12' B10' 59.91(10) . . ?
B11' B12' H12' 120.2(10) . . ?
Cl1A Cl1 C1S 87.9(17) . . ?
Cl1 Cl1A C1S 68.3(9) . . ?
Cl1 C1S Cl1A 23.8(11) . . ?
Cl1 C1S H1SA 110(3) . . ?
Cl1 C1S H1SB 106(2) . . ?
Cl2 C1S Cl1 118.5(7) . . ?
Cl2 C1S Cl1A 100.1(17) . . ?
Cl2 C1S H1SA 110(3) . . ?
Cl2 C1S H1SB 96(4) . . ?
Cl1A C1S H1SA 106(3) . . ?
Cl1A C1S H1SB 126(2) . . ?
H1SA C1S H1SB 117(4) . . ?
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 H6 1.867(18) . ?
Ru1 C2 2.1375(13) . ?
Ru1 P3 2.2555(3) . ?
Ru1 P4 2.3153(3) . ?
Ru1 B6 2.3265(14) . ?
Ru1 B3' 2.0273(15) . ?
C1 C2 1.7062(18) . ?
C1 B3 1.7083(19) . ?
C1 B4 1.6798(19) . ?
C1 B5 1.708(2) . ?
C1 B6 1.7159(19) . ?
C1 C1' 1.5116(18) . ?
C2 B3 1.732(2) . ?
C2 B6 1.6805(19) . ?
C2 B7 1.717(2) . ?
C2 B11 1.732(2) . ?
P3 C200 1.8188(13) . ?
P3 C201 1.8328(14) . ?
P3 C210 1.8328(14) . ?
B3 H3 1.063(18) . ?
B3 B4 1.807(2) . ?
B3 B7 1.772(2) . ?
B3 B8 1.783(2) . ?
P4 C100 1.8172(15) . ?
P4 C101 1.8303(15) . ?
P4 C111 1.8416(14) . ?
B4 H4 1.076(18) . ?
B4 B5 1.793(2) . ?
B4 B8 1.781(2) . ?
B4 B9 1.784(2) . ?
B5 H5 1.088(18) . ?
B5 B6 1.776(2) . ?
B5 B9 1.776(2) . ?
B5 B10 1.791(2) . ?
B6 H6 1.103(18) . ?
B6 B10 1.758(2) . ?
B6 B11 1.752(2) . ?
B7 H7 1.080(17) . ?
B7 B8 1.786(2) . ?
B7 B11 1.757(2) . ?
B7 B12 1.795(2) . ?
B8 H8 1.069(18) . ?
B8 B9 1.796(2) . ?
B8 B12 1.787(2) . ?
B9 H9 1.079(18) . ?
B9 B10 1.786(2) . ?
B9 B12 1.779(2) . ?
B10 H10 1.081(18) . ?
B10 B11 1.776(2) . ?
B10 B12 1.796(2) . ?
B11 H11 1.070(18) . ?
B11 B12 1.765(2) . ?
B12 H12 1.104(19) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.398(2) . ?
C101 C106 1.396(2) . ?
C102 H102 0.9500 . ?
C102 C103 1.388(3) . ?
C103 H103 0.9500 . ?
C103 C104 1.376(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.389(3) . ?
C105 H105 0.9500 . ?
C105 C106 1.390(2) . ?
C106 H106 0.9500 . ?
C111 C112 1.397(2) . ?
C111 C116 1.3976(19) . ?
C112 H112 0.9500 . ?
C112 C113 1.387(2) . ?
C113 H113 0.9500 . ?
C113 C114 1.389(2) . ?
C114 H114 0.9500 . ?
C114 C115 1.387(2) . ?
C115 H115 0.9500 . ?
C115 C116 1.392(2) . ?
C116 H116 0.9500 . ?
C200 H20A 0.9800 . ?
C200 H20B 0.9800 . ?
C200 H20C 0.9800 . ?
C201 C202 1.394(2) . ?
C201 C206 1.3987(19) . ?
C202 H202 0.9500 . ?
C202 C203 1.388(2) . ?
C203 H203 0.9500 . ?
C203 C204 1.386(2) . ?
C204 H204 0.9500 . ?
C204 C205 1.385(2) . ?
C205 H205 0.9500 . ?
C205 C206 1.389(2) . ?
C206 H206 0.9500 . ?
C210 C211 1.3961(19) . ?
C210 C215 1.398(2) . ?
C211 H211 0.9500 . ?
C211 C212 1.390(2) . ?
C212 H212 0.9500 . ?
C212 C213 1.384(2) . ?
C213 H213 0.9500 . ?
C213 C214 1.390(2) . ?
C214 H214 0.9500 . ?
C214 C215 1.390(2) . ?
C215 H215 0.9500 . ?
C1' C2' 1.6152(18) . ?
C1' B3' 1.838(2) . ?
C1' B4' 1.7071(19) . ?
C1' B5' 1.708(2) . ?
C1' B6' 1.738(2) . ?
C2' H2' 0.952(18) . ?
C2' B3' 1.816(2) . ?
C2' B6' 1.731(2) . ?
C2' B7' 1.683(2) . ?
C2' B11' 1.697(2) . ?
B3' B4' 1.836(2) . ?
B3' B7' 1.815(2) . ?
B3' B8' 1.803(2) . ?
B4' H4' 1.054(18) . ?
B4' B5' 1.792(2) . ?
B4' B8' 1.771(2) . ?
B4' B9' 1.771(2) . ?
B5' H5' 1.071(18) . ?
B5' B6' 1.782(2) . ?
B5' B9' 1.776(2) . ?
B5' B10' 1.782(2) . ?
B6' H6' 1.051(19) . ?
B6' B10' 1.764(2) . ?
B6' B11' 1.778(2) . ?
B7' H7' 1.086(18) . ?
B7' B8' 1.773(2) . ?
B7' B11' 1.789(2) . ?
B7' B12' 1.779(2) . ?
B8' H8' 1.058(18) . ?
B8' B9' 1.795(2) . ?
B8' B12' 1.785(2) . ?
B9' H9' 1.093(19) . ?
B9' B10' 1.789(2) . ?
B9' B12' 1.778(2) . ?
B10' H10' 1.05(2) . ?
B10' B11' 1.782(2) . ?
B10' B12' 1.797(2) . ?
B11' H11' 1.067(19) . ?
B11' B12' 1.772(2) . ?
B12' H12' 1.07(2) . ?
Cl1 Cl1A 0.72(3) . ?
Cl1 C1S 1.663(5) . ?
Cl2 C1S 1.634(8) . ?
Cl1A C1S 1.788(11) . ?
C1S H1SA 0.97(5) . ?
C1S H1SB 1.04(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 -62.63(17) . . . . ?
Ru1 C2 B3 B4 -97.33(18) . . . . ?
Ru1 C2 B3 B7 161.13(18) . . . . ?
Ru1 C2 B3 B8 -159.31(14) . . . . ?
Ru1 C2 B6 C1 116.09(8) . . . . ?
Ru1 C2 B6 B5 149.60(10) . . . . ?
Ru1 C2 B6 B10 -145.51(10) . . . . ?
Ru1 C2 B6 B11 -107.69(8) . . . . ?
Ru1 C2 B7 B3 -162.86(17) . . . . ?
Ru1 C2 B7 B8 157.53(13) . . . . ?
Ru1 C2 B7 B11 56.07(16) . . . . ?
Ru1 C2 B7 B12 94.97(17) . . . . ?
Ru1 C2 B11 B6 67.41(7) . . . . ?
Ru1 C2 B11 B7 -152.22(9) . . . . ?
Ru1 C2 B11 B10 104.04(9) . . . . ?
Ru1 C2 B11 B12 167.91(9) . . . . ?
Ru1 P3 C201 C202 130.11(11) . . . . ?
Ru1 P3 C201 C206 -52.10(12) . . . . ?
Ru1 P3 C210 C211 -133.97(10) . . . . ?
Ru1 P3 C210 C215 46.62(12) . . . . ?
Ru1 P4 C101 C102 132.75(11) . . . . ?
Ru1 P4 C101 C106 -43.27(12) . . . . ?
Ru1 P4 C111 C112 43.91(11) . . . . ?
Ru1 P4 C111 C116 -133.04(11) . . . . ?
Ru1 B6 B10 B5 -169.56(19) . . . . ?
Ru1 B6 B10 B9 -130.45(16) . . . . ?
Ru1 B6 B10 B11 -30.12(17) . . . . ?
Ru1 B6 B10 B12 -68.2(2) . . . . ?
Ru1 B6 B11 C2 -57.29(7) . . . . ?
Ru1 B6 B11 B7 -92.00(9) . . . . ?
Ru1 B6 B11 B10 164.28(9) . . . . ?
Ru1 B6 B11 B12 -156.41(9) . . . . ?
Ru1 B3' B4' C1' -91.89(11) . . . . ?
Ru1 B3' B4' B5' -122.64(11) . . . . ?
Ru1 B3' B4' B8' 137.83(12) . . . . ?
Ru1 B3' B4' B9' 172.45(9) . . . . ?
Ru1 B3' B7' C2' 93.33(14) . . . . ?
Ru1 B3' B7' B8' -137.54(15) . . . . ?
Ru1 B3' B7' B11' 123.67(13) . . . . ?
Ru1 B3' B7' B12' -171.60(11) . . . . ?
Ru1 B3' B8' B4' -99.43(17) . . . . ?
Ru1 B3' B8' B7' 127.95(17) . . . . ?
Ru1 B3' B8' B9' -133.61(15) . . . . ?
Ru1 B3' B8' B12' 161.96(14) . . . . ?
C1 C2 B3 B4 -34.70(9) . . . . ?
C1 C2 B3 B7 -136.25(11) . . . . ?
C1 C2 B3 B8 -96.68(11) . . . . ?
C1 C2 B6 Ru1 -116.09(8) . . . . ?
C1 C2 B6 B5 33.52(10) . . . . ?
C1 C2 B6 B10 98.41(11) . . . . ?
C1 C2 B6 B11 136.23(10) . . . . ?
C1 C2 B7 B3 38.84(9) . . . . ?
C1 C2 B7 B8 -0.76(13) . . . . ?
C1 C2 B7 B11 -102.22(10) . . . . ?
C1 C2 B7 B12 -63.32(12) . . . . ?
C1 C2 B11 B6 -39.73(9) . . . . ?
C1 C2 B11 B7 100.65(11) . . . . ?
C1 C2 B11 B10 -3.10(13) . . . . ?
C1 C2 B11 B12 60.77(13) . . . . ?
C1 B3 B4 B5 -33.84(10) . . . . ?
C1 B3 B4 B8 -134.85(11) . . . . ?
C1 B3 B4 B9 -96.62(11) . . . . ?
C1 B3 B7 C2 -38.17(9) . . . . ?
C1 B3 B7 B8 96.89(11) . . . . ?
C1 B3 B7 B11 -3.12(14) . . . . ?
C1 B3 B7 B12 60.11(13) . . . . ?
C1 B3 B8 B4 37.69(9) . . . . ?
C1 B3 B8 B7 -100.36(11) . . . . ?
C1 B3 B8 B9 -0.36(14) . . . . ?
C1 B3 B8 B12 -63.39(13) . . . . ?
C1 B4 B5 B6 -34.92(10) . . . . ?
C1 B4 B5 B9 -134.25(11) . . . . ?
C1 B4 B5 B10 -96.92(11) . . . . ?
C1 B4 B8 B3 -38.70(10) . . . . ?
C1 B4 B8 B7 -1.33(14) . . . . ?
C1 B4 B8 B9 98.67(11) . . . . ?
C1 B4 B8 B12 62.57(13) . . . . ?
C1 B4 B9 B5 39.28(10) . . . . ?
C1 B4 B9 B8 -98.90(11) . . . . ?
C1 B4 B9 B10 1.65(14) . . . . ?
C1 B4 B9 B12 -62.57(13) . . . . ?
C1 B5 B6 Ru1 32.33(19) . . . . ?
C1 B5 B6 C2 -34.22(10) . . . . ?
C1 B5 B6 B10 -136.08(11) . . . . ?
C1 B5 B6 B11 -98.93(11) . . . . ?
C1 B5 B9 B4 -38.34(9) . . . . ?
C1 B5 B9 B8 -1.09(14) . . . . ?
C1 B5 B9 B10 99.97(11) . . . . ?
C1 B5 B9 B12 62.52(13) . . . . ?
C1 B5 B10 B6 38.05(10) . . . . ?
C1 B5 B10 B9 -97.28(11) . . . . ?
C1 B5 B10 B11 1.92(14) . . . . ?
C1 B5 B10 B12 -60.62(13) . . . . ?
C1 B6 B10 B5 -38.08(10) . . . . ?
C1 B6 B10 B9 1.03(13) . . . . ?
C1 B6 B10 B11 101.36(11) . . . . ?
C1 B6 B10 B12 63.25(13) . . . . ?
C1 B6 B11 C2 39.09(9) . . . . ?
C1 B6 B11 B7 4.38(13) . . . . ?
C1 B6 B11 B10 -99.34(11) . . . . ?
C1 B6 B11 B12 -60.02(13) . . . . ?
C1 C1' C2' B3' -99.89(12) . . . . ?
C1 C1' C2' B6' 110.24(13) . . . . ?
C1 C1' C2' B7' -140.98(12) . . . . ?
C1 C1' C2' B11' 149.16(12) . . . . ?
C1 C1' B3' Ru1 1.01(12) . . . . ?
C1 C1' B3' C2' 111.06(11) . . . . ?
C1 C1' B3' B4' -114.04(12) . . . . ?
C1 C1' B3' B7' 145.65(10) . . . . ?
C1 C1' B3' B8' -155.05(10) . . . . ?
C1 C1' B4' B3' 98.31(12) . . . . ?
C1 C1' B4' B5' -115.35(13) . . . . ?
C1 C1' B4' B8' 141.51(12) . . . . ?
C1 C1' B4' B9' -155.23(11) . . . . ?
C1 C1' B5' B4' 109.56(14) . . . . ?
C1 C1' B5' B6' -107.99(14) . . . . ?
C1 C1' B5' B9' 149.26(12) . . . . ?
C1 C1' B5' B10' -148.20(12) . . . . ?
C1 C1' B6' C2' -107.20(13) . . . . ?
C1 C1' B6' B5' 115.19(13) . . . . ?
C1 C1' B6' B10' 155.80(12) . . . . ?
C1 C1' B6' B11' -141.87(12) . . . . ?
C2 C1 B3 B4 139.18(11) . . . . ?
C2 C1 B3 B7 37.81(9) . . . . ?
C2 C1 B3 B8 100.29(11) . . . . ?
C2 C1 B4 B3 -38.32(10) . . . . ?
C2 C1 B4 B5 103.32(11) . . . . ?
C2 C1 B4 B8 0.88(14) . . . . ?
C2 C1 B4 B9 63.67(13) . . . . ?
C2 C1 B5 B4 -105.88(11) . . . . ?
C2 C1 B5 B6 34.15(10) . . . . ?
C2 C1 B5 B9 -66.21(12) . . . . ?
C2 C1 B5 B10 -3.94(14) . . . . ?
C2 C1 B6 Ru1 52.90(7) . . . . ?
C2 C1 B6 B5 -142.28(11) . . . . ?
C2 C1 B6 B10 -103.09(11) . . . . ?
C2 C1 B6 B11 -39.22(9) . . . . ?
C2 C1 C1' C2' 41.09(15) . . . . ?
C2 C1 C1' B3' -28.13(13) . . . . ?
C2 C1 C1' B4' -96.92(13) . . . . ?
C2 C1 C1' B5' -173.08(11) . . . . ?
C2 C1 C1' B6' 112.53(12) . . . . ?
C2 B3 B4 C1 35.78(9) . . . . ?
C2 B3 B4 B5 1.94(14) . . . . ?
C2 B3 B4 B8 -99.07(11) . . . . ?
C2 B3 B4 B9 -60.85(13) . . . . ?
C2 B3 B7 B8 135.07(11) . . . . ?
C2 B3 B7 B11 35.05(10) . . . . ?
C2 B3 B7 B12 98.28(11) . . . . ?
C2 B3 B8 B4 99.27(11) . . . . ?
C2 B3 B8 B7 -38.77(10) . . . . ?
C2 B3 B8 B9 61.23(13) . . . . ?
C2 B3 B8 B12 -1.80(14) . . . . ?
C2 B6 B10 B5 -101.71(11) . . . . ?
C2 B6 B10 B9 -62.59(13) . . . . ?
C2 B6 B10 B11 37.73(10) . . . . ?
C2 B6 B10 B12 -0.38(14) . . . . ?
C2 B6 B11 B7 -34.71(10) . . . . ?
C2 B6 B11 B10 -138.43(11) . . . . ?
C2 B6 B11 B12 -99.11(11) . . . . ?
C2 B7 B8 B3 39.30(10) . . . . ?
C2 B7 B8 B4 1.30(14) . . . . ?
C2 B7 B8 B9 -61.90(13) . . . . ?
C2 B7 B8 B12 -99.61(11) . . . . ?
C2 B7 B11 B6 34.16(9) . . . . ?
C2 B7 B11 B10 97.29(11) . . . . ?
C2 B7 B11 B12 135.60(11) . . . . ?
C2 B7 B12 B8 99.50(11) . . . . ?
C2 B7 B12 B9 61.27(13) . . . . ?
C2 B7 B12 B10 -1.90(14) . . . . ?
C2 B7 B12 B11 -39.02(10) . . . . ?
C2 B11 B12 B7 38.77(10) . . . . ?
C2 B11 B12 B8 1.92(14) . . . . ?
C2 B11 B12 B9 -61.85(13) . . . . ?
C2 B11 B12 B10 -99.39(11) . . . . ?
P3 C201 C202 C203 176.93(12) . . . . ?
P3 C201 C206 C205 -177.19(12) . . . . ?
P3 C210 C211 C212 -178.64(11) . . . . ?
P3 C210 C215 C214 178.14(12) . . . . ?
B3 C1 C2 Ru1 152.37(9) . . . . ?
B3 C1 C2 B6 -144.98(11) . . . . ?
B3 C1 C2 B7 -39.87(10) . . . . ?
B3 C1 C2 B11 -104.85(11) . . . . ?
B3 C1 B4 B5 141.64(11) . . . . ?
B3 C1 B4 B8 39.21(10) . . . . ?
B3 C1 B4 B9 102.00(11) . . . . ?
B3 C1 B5 B4 -38.73(11) . . . . ?
B3 C1 B5 B6 101.29(12) . . . . ?
B3 C1 B5 B9 0.94(14) . . . . ?
B3 C1 B5 B10 63.21(14) . . . . ?
B3 C1 B6 Ru1 85.46(10) . . . . ?
B3 C1 B6 C2 32.56(10) . . . . ?
B3 C1 B6 B5 -109.72(11) . . . . ?
B3 C1 B6 B10 -70.53(13) . . . . ?
B3 C1 B6 B11 -6.66(14) . . . . ?
B3 C1 C1' C2' -27.44(16) . . . . ?
B3 C1 C1' B3' -96.66(12) . . . . ?
B3 C1 C1' B4' -165.45(11) . . . . ?
B3 C1 C1' B5' 118.39(13) . . . . ?
B3 C1 C1' B6' 44.00(16) . . . . ?
B3 C2 B6 Ru1 -148.28(10) . . . . ?
B3 C2 B6 C1 -32.19(10) . . . . ?
B3 C2 B6 B5 1.33(14) . . . . ?
B3 C2 B6 B10 66.22(13) . . . . ?
B3 C2 B6 B11 104.04(11) . . . . ?
B3 C2 B7 B8 -39.60(10) . . . . ?
B3 C2 B7 B11 -141.06(11) . . . . ?
B3 C2 B7 B12 -102.16(11) . . . . ?
B3 C2 B11 B6 -103.70(11) . . . . ?
B3 C2 B11 B7 36.67(10) . . . . ?
B3 C2 B11 B10 -67.08(13) . . . . ?
B3 C2 B11 B12 -3.21(14) . . . . ?
B3 B4 B5 C1 33.72(10) . . . . ?
B3 B4 B5 B6 -1.20(14) . . . . ?
B3 B4 B5 B9 -100.53(12) . . . . ?
B3 B4 B5 B10 -63.19(13) . . . . ?
B3 B4 B8 B7 37.37(10) . . . . ?
B3 B4 B8 B9 137.36(11) . . . . ?
B3 B4 B8 B12 101.27(11) . . . . ?
B3 B4 B9 B5 100.38(11) . . . . ?
B3 B4 B9 B8 -37.80(10) . . . . ?
B3 B4 B9 B10 62.75(13) . . . . ?
B3 B4 B9 B12 -1.47(14) . . . . ?
B3 B7 B8 B4 -38.00(10) . . . . ?
B3 B7 B8 B9 -101.20(12) . . . . ?
B3 B7 B8 B12 -138.92(11) . . . . ?
B3 B7 B11 C2 -34.93(10) . . . . ?
B3 B7 B11 B6 -0.77(14) . . . . ?
B3 B7 B11 B10 62.36(14) . . . . ?
B3 B7 B11 B12 100.67(12) . . . . ?
B3 B7 B12 B8 36.91(10) . . . . ?
B3 B7 B12 B9 -1.33(14) . . . . ?
B3 B7 B12 B10 -64.49(13) . . . . ?
B3 B7 B12 B11 -101.61(12) . . . . ?
B3 B8 B9 B4 38.56(10) . . . . ?
B3 B8 B9 B5 0.93(15) . . . . ?
B3 B8 B9 B10 -62.98(14) . . . . ?
B3 B8 B9 B12 -100.94(12) . . . . ?
B3 B8 B12 B7 -36.62(10) . . . . ?
B3 B8 B12 B9 100.77(12) . . . . ?
B3 B8 B12 B10 63.06(13) . . . . ?
B3 B8 B12 B11 -0.07(14) . . . . ?
P4 C101 C102 C103 -175.91(13) . . . . ?
P4 C101 C106 C105 176.73(12) . . . . ?
P4 C111 C112 C113 -176.54(11) . . . . ?
P4 C111 C116 C115 175.82(11) . . . . ?
B4 C1 C2 Ru1 -167.84(9) . . . . ?
B4 C1 C2 B3 39.79(11) . . . . ?
B4 C1 C2 B6 -105.19(12) . . . . ?
B4 C1 C2 B7 -0.08(14) . . . . ?
B4 C1 C2 B11 -65.06(13) . . . . ?
B4 C1 B3 C2 -139.18(11) . . . . ?
B4 C1 B3 B7 -101.38(11) . . . . ?
B4 C1 B3 B8 -38.89(10) . . . . ?
B4 C1 B5 B6 140.02(11) . . . . ?
B4 C1 B5 B9 39.67(10) . . . . ?
B4 C1 B5 B10 101.94(12) . . . . ?
B4 C1 B6 Ru1 156.00(9) . . . . ?
B4 C1 B6 C2 103.09(11) . . . . ?
B4 C1 B6 B5 -39.19(11) . . . . ?
B4 C1 B6 B10 0.00(14) . . . . ?
B4 C1 B6 B11 63.88(13) . . . . ?
B4 C1 C1' C2' -105.16(14) . . . . ?
B4 C1 C1' B3' -174.38(11) . . . . ?
B4 C1 C1' B4' 116.83(14) . . . . ?
B4 C1 C1' B5' 40.67(19) . . . . ?
B4 C1 C1' B6' -33.72(18) . . . . ?
B4 B3 B7 C2 -97.86(11) . . . . ?
B4 B3 B7 B8 37.20(10) . . . . ?
B4 B3 B7 B11 -62.81(13) . . . . ?
B4 B3 B7 B12 0.42(14) . . . . ?
B4 B3 B8 B7 -138.04(11) . . . . ?
B4 B3 B8 B9 -38.05(10) . . . . ?
B4 B3 B8 B12 -101.07(12) . . . . ?
B4 B5 B6 Ru1 66.5(2) . . . . ?
B4 B5 B6 C1 34.19(10) . . . . ?
B4 B5 B6 C2 -0.03(14) . . . . ?
B4 B5 B6 B10 -101.88(12) . . . . ?
B4 B5 B6 B11 -64.74(13) . . . . ?
B4 B5 B9 B8 37.26(10) . . . . ?
B4 B5 B9 B10 138.31(11) . . . . ?
B4 B5 B9 B12 100.87(12) . . . . ?
B4 B5 B10 B6 98.04(11) . . . . ?
B4 B5 B10 B9 -37.28(10) . . . . ?
B4 B5 B10 B11 61.91(13) . . . . ?
B4 B5 B10 B12 -0.63(14) . . . . ?
B4 B8 B9 B5 -37.63(10) . . . . ?
B4 B8 B9 B10 -101.53(12) . . . . ?
B4 B8 B9 B12 -139.50(11) . . . . ?
B4 B8 B12 B7 -101.17(11) . . . . ?
B4 B8 B12 B9 36.22(10) . . . . ?
B4 B8 B12 B10 -1.49(14) . . . . ?
B4 B8 B12 B11 -64.62(13) . . . . ?
B4 B9 B10 B5 37.68(10) . . . . ?
B4 B9 B10 B6 -1.67(14) . . . . ?
B4 B9 B10 B11 -63.95(14) . . . . ?
B4 B9 B10 B12 -100.98(12) . . . . ?
B4 B9 B12 B7 1.73(15) . . . . ?
B4 B9 B12 B8 -36.20(10) . . . . ?
B4 B9 B12 B10 101.62(12) . . . . ?
B4 B9 B12 B11 64.13(14) . . . . ?
B5 C1 C2 Ru1 -98.24(10) . . . . ?
B5 C1 C2 B3 109.39(11) . . . . ?
B5 C1 C2 B6 -35.59(10) . . . . ?
B5 C1 C2 B7 69.52(12) . . . . ?
B5 C1 C2 B11 4.54(14) . . . . ?
B5 C1 B3 C2 -100.67(12) . . . . ?
B5 C1 B3 B4 38.52(11) . . . . ?
B5 C1 B3 B7 -62.86(13) . . . . ?
B5 C1 B3 B8 -0.38(14) . . . . ?
B5 C1 B4 B3 -141.64(11) . . . . ?
B5 C1 B4 B8 -102.43(12) . . . . ?
B5 C1 B4 B9 -39.64(10) . . . . ?
B5 C1 B6 Ru1 -164.82(9) . . . . ?
B5 C1 B6 C2 142.28(11) . . . . ?
B5 C1 B6 B10 39.19(10) . . . . ?
B5 C1 B6 B11 103.06(11) . . . . ?
B5 C1 C1' C2' 176.63(11) . . . . ?
B5 C1 C1' B3' 107.41(12) . . . . ?
B5 C1 C1' B4' 38.62(17) . . . . ?
B5 C1 C1' B5' -37.54(18) . . . . ?
B5 C1 C1' B6' -111.93(13) . . . . ?
B5 B4 B8 B3 -100.17(11) . . . . ?
B5 B4 B8 B7 -62.80(13) . . . . ?
B5 B4 B8 B9 37.19(10) . . . . ?
B5 B4 B8 B12 1.10(14) . . . . ?
B5 B4 B9 B8 -138.18(11) . . . . ?
B5 B4 B9 B10 -37.63(10) . . . . ?
B5 B4 B9 B12 -101.85(12) . . . . ?
B5 B6 B10 B9 39.11(10) . . . . ?
B5 B6 B10 B11 139.44(11) . . . . ?
B5 B6 B10 B12 101.33(12) . . . . ?
B5 B6 B11 C2 101.23(11) . . . . ?
B5 B6 B11 B7 66.52(13) . . . . ?
B5 B6 B11 B10 -37.20(10) . . . . ?
B5 B6 B11 B12 2.12(14) . . . . ?
B5 B9 B10 B6 -39.36(10) . . . . ?
B5 B9 B10 B11 -101.63(12) . . . . ?
B5 B9 B10 B12 -138.66(11) . . . . ?
B5 B9 B12 B7 -62.51(14) . . . . ?
B5 B9 B12 B8 -100.44(12) . . . . ?
B5 B9 B12 B10 37.38(10) . . . . ?
B5 B9 B12 B11 -0.11(15) . . . . ?
B5 B10 B11 C2 0.70(14) . . . . ?
B5 B10 B11 B6 36.39(10) . . . . ?
B5 B10 B11 B7 -61.47(14) . . . . ?
B5 B10 B11 B12 -99.92(12) . . . . ?
B5 B10 B12 B7 64.38(13) . . . . ?
B5 B10 B12 B8 1.30(14) . . . . ?
B5 B10 B12 B9 -36.65(10) . . . . ?
B5 B10 B12 B11 101.20(11) . . . . ?
B6 C1 C2 Ru1 -62.65(8) . . . . ?
B6 C1 C2 B3 144.98(11) . . . . ?
B6 C1 C2 B7 105.11(11) . . . . ?
B6 C1 C2 B11 40.13(10) . . . . ?
B6 C1 B3 C2 -31.77(9) . . . . ?
B6 C1 B3 B4 107.41(11) . . . . ?
B6 C1 B3 B7 6.03(13) . . . . ?
B6 C1 B3 B8 68.52(12) . . . . ?
B6 C1 B4 B3 -103.03(12) . . . . ?
B6 C1 B4 B5 38.61(10) . . . . ?
B6 C1 B4 B8 -63.82(13) . . . . ?
B6 C1 B4 B9 -1.03(14) . . . . ?
B6 C1 B5 B4 -140.02(11) . . . . ?
B6 C1 B5 B9 -100.36(11) . . . . ?
B6 C1 B5 B10 -38.08(10) . . . . ?
B6 C1 C1' C2' 105.80(12) . . . . ?
B6 C1 C1' B3' 36.58(13) . . . . ?
B6 C1 C1' B4' -32.21(15) . . . . ?
B6 C1 C1' B5' -108.37(13) . . . . ?
B6 C1 C1' B6' 177.24(11) . . . . ?
B6 C2 B3 C1 32.66(10) . . . . ?
B6 C2 B3 B4 -2.04(14) . . . . ?
B6 C2 B3 B7 -103.58(11) . . . . ?
B6 C2 B3 B8 -64.02(13) . . . . ?
B6 C2 B7 B3 103.90(11) . . . . ?
B6 C2 B7 B8 64.30(13) . . . . ?
B6 C2 B7 B11 -37.17(10) . . . . ?
B6 C2 B7 B12 1.74(14) . . . . ?
B6 C2 B11 B7 140.37(11) . . . . ?
B6 C2 B11 B10 36.63(10) . . . . ?
B6 C2 B11 B12 100.50(11) . . . . ?
B6 B5 B9 B4 -99.51(11) . . . . ?
B6 B5 B9 B8 -62.25(13) . . . . ?
B6 B5 B9 B10 38.80(10) . . . . ?
B6 B5 B9 B12 1.36(14) . . . . ?
B6 B5 B10 B9 -135.33(11) . . . . ?
B6 B5 B10 B11 -36.13(10) . . . . ?
B6 B5 B10 B12 -98.67(11) . . . . ?
B6 B10 B11 C2 -35.69(10) . . . . ?
B6 B10 B11 B7 -97.86(12) . . . . ?
B6 B10 B11 B12 -136.31(11) . . . . ?
B6 B10 B12 B7 1.41(14) . . . . ?
B6 B10 B12 B8 -61.68(13) . . . . ?
B6 B10 B12 B9 -99.63(12) . . . . ?
B6 B10 B12 B11 38.22(10) . . . . ?
B6 B11 B12 B7 99.39(11) . . . . ?
B6 B11 B12 B8 62.55(13) . . . . ?
B6 B11 B12 B9 -1.22(14) . . . . ?
B6 B11 B12 B10 -38.76(10) . . . . ?
B7 C2 B3 C1 136.25(11) . . . . ?
B7 C2 B3 B4 101.54(11) . . . . ?
B7 C2 B3 B8 39.56(10) . . . . ?
B7 C2 B6 Ru1 144.64(10) . . . . ?
B7 C2 B6 C1 -99.28(11) . . . . ?
B7 C2 B6 B5 -65.76(13) . . . . ?
B7 C2 B6 B10 -0.87(14) . . . . ?
B7 C2 B6 B11 36.95(10) . . . . ?
B7 C2 B11 B6 -140.37(11) . . . . ?
B7 C2 B11 B10 -103.74(11) . . . . ?
B7 C2 B11 B12 -39.88(10) . . . . ?
B7 B3 B4 C1 97.27(11) . . . . ?
B7 B3 B4 B5 63.43(13) . . . . ?
B7 B3 B4 B8 -37.58(10) . . . . ?
B7 B3 B4 B9 0.64(14) . . . . ?
B7 B3 B8 B4 138.04(11) . . . . ?
B7 B3 B8 B9 100.00(12) . . . . ?
B7 B3 B8 B12 36.97(10) . . . . ?
B7 B8 B9 B4 101.42(11) . . . . ?
B7 B8 B9 B5 63.79(14) . . . . ?
B7 B8 B9 B10 -0.11(15) . . . . ?
B7 B8 B9 B12 -38.08(10) . . . . ?
B7 B8 B12 B9 137.39(11) . . . . ?
B7 B8 B12 B10 99.68(11) . . . . ?
B7 B8 B12 B11 36.55(10) . . . . ?
B7 B11 B12 B8 -36.85(10) . . . . ?
B7 B11 B12 B9 -100.61(12) . . . . ?
B7 B11 B12 B10 -138.16(11) . . . . ?
B8 B3 B4 C1 134.85(11) . . . . ?
B8 B3 B4 B5 101.02(12) . . . . ?
B8 B3 B4 B9 38.23(10) . . . . ?
B8 B3 B7 C2 -135.07(11) . . . . ?
B8 B3 B7 B11 -100.01(12) . . . . ?
B8 B3 B7 B12 -36.78(10) . . . . ?
B8 B4 B5 C1 96.63(11) . . . . ?
B8 B4 B5 B6 61.71(13) . . . . ?
B8 B4 B5 B9 -37.63(10) . . . . ?
B8 B4 B5 B10 -0.29(14) . . . . ?
B8 B4 B9 B5 138.18(11) . . . . ?
B8 B4 B9 B10 100.55(12) . . . . ?
B8 B4 B9 B12 36.33(10) . . . . ?
B8 B7 B11 C2 -98.64(11) . . . . ?
B8 B7 B11 B6 -64.48(13) . . . . ?
B8 B7 B11 B10 -1.35(15) . . . . ?
B8 B7 B11 B12 36.96(10) . . . . ?
B8 B7 B12 B9 -38.24(10) . . . . ?
B8 B7 B12 B10 -101.41(12) . . . . ?
B8 B7 B12 B11 -138.52(11) . . . . ?
B8 B9 B10 B5 100.94(12) . . . . ?
B8 B9 B10 B6 61.58(14) . . . . ?
B8 B9 B10 B11 -0.69(15) . . . . ?
B8 B9 B10 B12 -37.72(10) . . . . ?
B8 B9 B12 B7 37.93(10) . . . . ?
B8 B9 B12 B10 137.82(11) . . . . ?
B8 B9 B12 B11 100.33(12) . . . . ?
B9 B4 B5 C1 134.25(11) . . . . ?
B9 B4 B5 B6 99.34(11) . . . . ?
B9 B4 B5 B10 37.34(10) . . . . ?
B9 B4 B8 B3 -137.36(11) . . . . ?
B9 B4 B8 B7 -99.99(12) . . . . ?
B9 B4 B8 B12 -36.10(10) . . . . ?
B9 B5 B6 Ru1 129.11(18) . . . . ?
B9 B5 B6 C1 96.78(11) . . . . ?
B9 B5 B6 C2 62.56(13) . . . . ?
B9 B5 B6 B10 -39.30(10) . . . . ?
B9 B5 B6 B11 -2.15(14) . . . . ?
B9 B5 B10 B6 135.33(11) . . . . ?
B9 B5 B10 B11 99.19(12) . . . . ?
B9 B5 B10 B12 36.66(10) . . . . ?
B9 B8 B12 B7 -137.39(11) . . . . ?
B9 B8 B12 B10 -37.71(10) . . . . ?
B9 B8 B12 B11 -100.84(12) . . . . ?
B9 B10 B11 C2 63.44(13) . . . . ?
B9 B10 B11 B6 99.13(12) . . . . ?
B9 B10 B11 B7 1.27(15) . . . . ?
B9 B10 B11 B12 -37.18(10) . . . . ?
B9 B10 B12 B7 101.04(12) . . . . ?
B9 B10 B12 B8 37.96(10) . . . . ?
B9 B10 B12 B11 137.86(12) . . . . ?
B10 B5 B6 Ru1 168.4(2) . . . . ?
B10 B5 B6 C1 136.08(11) . . . . ?
B10 B5 B6 C2 101.86(12) . . . . ?
B10 B5 B6 B11 37.15(10) . . . . ?
B10 B5 B9 B4 -138.31(11) . . . . ?
B10 B5 B9 B8 -101.05(12) . . . . ?
B10 B5 B9 B12 -37.44(10) . . . . ?
B10 B6 B11 C2 138.43(11) . . . . ?
B10 B6 B11 B7 103.72(12) . . . . ?
B10 B6 B11 B12 39.32(10) . . . . ?
B10 B9 B12 B7 -99.89(12) . . . . ?
B10 B9 B12 B8 -137.82(11) . . . . ?
B10 B9 B12 B11 -37.49(10) . . . . ?
B10 B11 B12 B7 138.16(11) . . . . ?
B10 B11 B12 B8 101.31(12) . . . . ?
B10 B11 B12 B9 37.55(11) . . . . ?
B11 C2 B3 C1 99.81(11) . . . . ?
B11 C2 B3 B4 65.10(13) . . . . ?
B11 C2 B3 B7 -36.44(10) . . . . ?
B11 C2 B3 B8 3.12(13) . . . . ?
B11 C2 B6 Ru1 107.69(8) . . . . ?
B11 C2 B6 C1 -136.23(10) . . . . ?
B11 C2 B6 B5 -102.71(12) . . . . ?
B11 C2 B6 B10 -37.82(10) . . . . ?
B11 C2 B7 B3 141.06(11) . . . . ?
B11 C2 B7 B8 101.46(11) . . . . ?
B11 C2 B7 B12 38.90(10) . . . . ?
B11 B6 B10 B5 -139.44(11) . . . . ?
B11 B6 B10 B9 -100.33(12) . . . . ?
B11 B6 B10 B12 -38.11(10) . . . . ?
B11 B7 B8 B3 102.09(11) . . . . ?
B11 B7 B8 B4 64.09(14) . . . . ?
B11 B7 B8 B9 0.89(14) . . . . ?
B11 B7 B8 B12 -36.83(10) . . . . ?
B11 B7 B12 B8 138.52(11) . . . . ?
B11 B7 B12 B9 100.28(12) . . . . ?
B11 B7 B12 B10 37.12(10) . . . . ?
B11 B10 B12 B7 -36.82(10) . . . . ?
B11 B10 B12 B8 -99.90(12) . . . . ?
B11 B10 B12 B9 -137.86(12) . . . . ?
B12 B7 B8 B3 138.92(11) . . . . ?
B12 B7 B8 B4 100.92(12) . . . . ?
B12 B7 B8 B9 37.72(11) . . . . ?
B12 B7 B11 C2 -135.60(11) . . . . ?
B12 B7 B11 B6 -101.43(11) . . . . ?
B12 B7 B11 B10 -38.31(11) . . . . ?
B12 B8 B9 B4 139.50(11) . . . . ?
B12 B8 B9 B5 101.87(12) . . . . ?
B12 B8 B9 B10 37.97(11) . . . . ?
B12 B9 B10 B5 138.66(11) . . . . ?
B12 B9 B10 B6 99.30(11) . . . . ?
B12 B9 B10 B11 37.03(10) . . . . ?
B12 B10 B11 C2 100.62(11) . . . . ?
B12 B10 B11 B6 136.31(11) . . . . ?
B12 B10 B11 B7 38.45(11) . . . . ?
C100 P4 C101 C102 -3.84(14) . . . . ?
C100 P4 C101 C106 -179.85(11) . . . . ?
C100 P4 C111 C112 178.71(11) . . . . ?
C100 P4 C111 C116 1.77(13) . . . . ?
C101 P4 C111 C112 -73.02(12) . . . . ?
C101 P4 C111 C116 110.03(12) . . . . ?
C101 C102 C103 C104 -0.4(3) . . . . ?
C102 C101 C106 C105 0.6(2) . . . . ?
C102 C103 C104 C105 0.2(3) . . . . ?
C103 C104 C105 C106 0.5(3) . . . . ?
C104 C105 C106 C101 -0.8(2) . . . . ?
C106 C101 C102 C103 0.1(2) . . . . ?
C111 P4 C101 C102 -110.58(13) . . . . ?
C111 P4 C101 C106 73.41(12) . . . . ?
C111 C112 C113 C114 0.6(2) . . . . ?
C112 C111 C116 C115 -1.2(2) . . . . ?
C112 C113 C114 C115 -1.0(2) . . . . ?
C113 C114 C115 C116 0.4(2) . . . . ?
C114 C115 C116 C111 0.7(2) . . . . ?
C116 C111 C112 C113 0.5(2) . . . . ?
C200 P3 C201 C202 -2.46(13) . . . . ?
C200 P3 C201 C206 175.34(11) . . . . ?
C200 P3 C210 C211 -6.85(13) . . . . ?
C200 P3 C210 C215 173.73(11) . . . . ?
C201 P3 C210 C211 100.13(12) . . . . ?
C201 P3 C210 C215 -79.28(12) . . . . ?
C201 C202 C203 C204 0.2(2) . . . . ?
C202 C201 C206 C205 0.7(2) . . . . ?
C202 C203 C204 C205 0.8(3) . . . . ?
C203 C204 C205 C206 -1.0(3) . . . . ?
C204 C205 C206 C201 0.2(2) . . . . ?
C206 C201 C202 C203 -0.9(2) . . . . ?
C210 P3 C201 C202 -109.78(12) . . . . ?
C210 P3 C201 C206 68.02(12) . . . . ?
C210 C211 C212 C213 0.3(2) . . . . ?
C211 C210 C215 C214 -1.3(2) . . . . ?
C211 C212 C213 C214 -0.9(2) . . . . ?
C212 C213 C214 C215 0.4(2) . . . . ?
C213 C214 C215 C210 0.7(2) . . . . ?
C215 C210 C211 C212 0.8(2) . . . . ?
C1' C1 C2 Ru1 41.48(11) . . . . ?
C1' C1 C2 B3 -110.89(12) . . . . ?
C1' C1 C2 B6 104.13(12) . . . . ?
C1' C1 C2 B7 -150.76(11) . . . . ?
C1' C1 C2 B11 144.27(11) . . . . ?
C1' C1 B3 C2 102.43(12) . . . . ?
C1' C1 B3 B4 -118.39(13) . . . . ?
C1' C1 B3 B7 140.23(11) . . . . ?
C1' C1 B3 B8 -157.28(11) . . . . ?
C1' C1 B4 B3 108.10(14) . . . . ?
C1' C1 B4 B5 -110.26(14) . . . . ?
C1' C1 B4 B8 147.30(12) . . . . ?
C1' C1 B4 B9 -149.91(12) . . . . ?
C1' C1 B5 B4 117.69(13) . . . . ?
C1' C1 B5 B6 -102.29(13) . . . . ?
C1' C1 B5 B9 157.36(11) . . . . ?
C1' C1 B5 B10 -140.37(12) . . . . ?
C1' C1 B6 Ru1 -51.24(11) . . . . ?
C1' C1 B6 C2 -104.14(11) . . . . ?
C1' C1 B6 B5 113.58(12) . . . . ?
C1' C1 B6 B10 152.77(11) . . . . ?
C1' C1 B6 B11 -143.36(11) . . . . ?
C1' C2' B3' Ru1 93.15(10) . . . . ?
C1' C2' B3' B4' -35.92(9) . . . . ?
C1' C2' B3' B7' -136.71(11) . . . . ?
C1' C2' B3' B8' -94.65(10) . . . . ?
C1' C2' B6' B5' 35.87(10) . . . . ?
C1' C2' B6' B10' 97.99(12) . . . . ?
C1' C2' B6' B11' 139.10(12) . . . . ?
C1' C2' B7' B3' 42.03(10) . . . . ?
C1' C2' B7' B8' -2.18(15) . . . . ?
C1' C2' B7' B11' -104.89(12) . . . . ?
C1' C2' B7' B12' -64.67(14) . . . . ?
C1' C2' B11' B6' -38.92(11) . . . . ?
C1' C2' B11' B7' 104.96(12) . . . . ?
C1' C2' B11' B10' 1.81(15) . . . . ?
C1' C2' B11' B12' 64.60(14) . . . . ?
C1' B3' B4' B5' -30.76(10) . . . . ?
C1' B3' B4' B8' -130.28(11) . . . . ?
C1' B3' B4' B9' -95.66(12) . . . . ?
C1' B3' B7' C2' -33.23(8) . . . . ?
C1' B3' B7' B8' 95.90(10) . . . . ?
C1' B3' B7' B11' -2.90(13) . . . . ?
C1' B3' B7' B12' 61.83(12) . . . . ?
C1' B3' B8' B4' 39.43(9) . . . . ?
C1' B3' B8' B7' -93.19(10) . . . . ?
C1' B3' B8' B9' 5.25(14) . . . . ?
C1' B3' B8' B12' -59.18(13) . . . . ?
C1' B4' B5' B6' -33.70(10) . . . . ?
C1' B4' B5' B9' -134.03(12) . . . . ?
C1' B4' B5' B10' -96.50(12) . . . . ?
C1' B4' B8' B3' -44.49(10) . . . . ?
C1' B4' B8' B7' -2.18(14) . . . . ?
C1' B4' B8' B9' 98.14(11) . . . . ?
C1' B4' B8' B12' 60.90(13) . . . . ?
C1' B4' B9' B5' 39.20(10) . . . . ?
C1' B4' B9' B8' -99.75(11) . . . . ?
C1' B4' B9' B10' 1.68(14) . . . . ?
C1' B4' B9' B12' -62.27(13) . . . . ?
C1' B5' B6' C2' -34.69(9) . . . . ?
C1' B5' B6' B10' -133.44(12) . . . . ?
C1' B5' B6' B11' -94.57(11) . . . . ?
C1' B5' B9' B4' -39.10(10) . . . . ?
C1' B5' B9' B8' -2.43(15) . . . . ?
C1' B5' B9' B10' 99.08(12) . . . . ?
C1' B5' B9' B12' 61.09(14) . . . . ?
C1' B5' B10' B6' 40.39(10) . . . . ?
C1' B5' B10' B9' -98.05(11) . . . . ?
C1' B5' B10' B11' 1.66(15) . . . . ?
C1' B5' B10' B12' -60.80(14) . . . . ?
C1' B6' B10' B5' -39.46(10) . . . . ?
C1' B6' B10' B9' -2.44(15) . . . . ?
C1' B6' B10' B11' 97.11(11) . . . . ?
C1' B6' B10' B12' 60.40(14) . . . . ?
C1' B6' B11' C2' 33.63(9) . . . . ?
C1' B6' B11' B7' 1.92(14) . . . . ?
C1' B6' B11' B10' -99.09(12) . . . . ?
C1' B6' B11' B12' -61.65(13) . . . . ?
C2' C1' B3' Ru1 -110.05(9) . . . . ?
C2' C1' B3' B4' 134.90(11) . . . . ?
C2' C1' B3' B7' 34.59(9) . . . . ?
C2' C1' B3' B8' 93.89(10) . . . . ?
C2' C1' B4' B3' -42.31(10) . . . . ?
C2' C1' B4' B5' 104.04(12) . . . . ?
C2' C1' B4' B8' 0.90(14) . . . . ?
C2' C1' B4' B9' 64.15(13) . . . . ?
C2' C1' B5' B4' -102.82(12) . . . . ?
C2' C1' B5' B6' 39.63(11) . . . . ?
C2' C1' B5' B9' -63.12(13) . . . . ?
C2' C1' B5' B10' -0.58(14) . . . . ?
C2' C1' B6' B5' -137.61(11) . . . . ?
C2' C1' B6' B10' -97.01(12) . . . . ?
C2' C1' B6' B11' -34.67(10) . . . . ?
C2' B3' B4' C1' 34.42(9) . . . . ?
C2' B3' B4' B5' 3.67(13) . . . . ?
C2' B3' B4' B8' -95.85(10) . . . . ?
C2' B3' B4' B9' -61.24(12) . . . . ?
C2' B3' B7' B8' 129.13(11) . . . . ?
C2' B3' B7' B11' 30.33(10) . . . . ?
C2' B3' B7' B12' 95.06(12) . . . . ?
C2' B3' B8' B4' 92.53(10) . . . . ?
C2' B3' B8' B7' -40.09(9) . . . . ?
C2' B3' B8' B9' 58.35(13) . . . . ?
C2' B3' B8' B12' -6.09(13) . . . . ?
C2' B6' B10' B5' -96.79(11) . . . . ?
C2' B6' B10' B9' -59.77(14) . . . . ?
C2' B6' B10' B11' 39.78(10) . . . . ?
C2' B6' B10' B12' 3.07(15) . . . . ?
C2' B6' B11' B7' -31.71(10) . . . . ?
C2' B6' B11' B10' -132.72(12) . . . . ?
C2' B6' B11' B12' -95.28(12) . . . . ?
C2' B7' B8' B3' 45.35(10) . . . . ?
C2' B7' B8' B4' 2.63(14) . . . . ?
C2' B7' B8' B9' -59.98(13) . . . . ?
C2' B7' B8' B12' -97.64(12) . . . . ?
C2' B7' B11' B6' 32.48(10) . . . . ?
C2' B7' B11' B10' 95.51(12) . . . . ?
C2' B7' B11' B12' 133.34(12) . . . . ?
C2' B7' B12' B8' 99.46(12) . . . . ?
C2' B7' B12' B9' 61.26(14) . . . . ?
C2' B7' B12' B10' -2.24(15) . . . . ?
C2' B7' B12' B11' -39.65(10) . . . . ?
C2' B11' B12' B7' 39.21(10) . . . . ?
C2' B11' B12' B8' 2.62(15) . . . . ?
C2' B11' B12' B9' -61.46(14) . . . . ?
C2' B11' B12' B10' -99.00(12) . . . . ?
B3' C1' C2' B6' -149.88(10) . . . . ?
B3' C1' C2' B7' -41.09(11) . . . . ?
B3' C1' C2' B11' -110.95(12) . . . . ?
B3' C1' B4' B5' 146.34(11) . . . . ?
B3' C1' B4' B8' 43.21(10) . . . . ?
B3' C1' B4' B9' 106.46(11) . . . . ?
B3' C1' B5' B4' -33.30(11) . . . . ?
B3' C1' B5' B6' 109.15(12) . . . . ?
B3' C1' B5' B9' 6.40(15) . . . . ?
B3' C1' B5' B10' 68.94(14) . . . . ?
B3' C1' B6' C2' 30.43(10) . . . . ?
B3' C1' B6' B5' -107.18(12) . . . . ?
B3' C1' B6' B10' -66.58(14) . . . . ?
B3' C1' B6' B11' -4.24(15) . . . . ?
B3' C2' B6' C1' -31.38(11) . . . . ?
B3' C2' B6' B5' 4.50(15) . . . . ?
B3' C2' B6' B10' 66.61(14) . . . . ?
B3' C2' B6' B11' 107.72(13) . . . . ?
B3' C2' B7' B8' -44.21(10) . . . . ?
B3' C2' B7' B11' -146.92(11) . . . . ?
B3' C2' B7' B12' -106.70(11) . . . . ?
B3' C2' B11' B6' -110.83(12) . . . . ?
B3' C2' B11' B7' 33.05(11) . . . . ?
B3' C2' B11' B10' -70.10(14) . . . . ?
B3' C2' B11' B12' -7.31(15) . . . . ?
B3' B4' B5' C1' 32.15(10) . . . . ?
B3' B4' B5' B6' -1.56(15) . . . . ?
B3' B4' B5' B9' -101.88(12) . . . . ?
B3' B4' B5' B10' -64.36(14) . . . . ?
B3' B4' B8' B7' 42.31(10) . . . . ?
B3' B4' B8' B9' 142.63(11) . . . . ?
B3' B4' B8' B12' 105.39(12) . . . . ?
B3' B4' B9' B5' 104.71(12) . . . . ?
B3' B4' B9' B8' -34.24(10) . . . . ?
B3' B4' B9' B10' 67.19(14) . . . . ?
B3' B4' B9' B12' 3.24(15) . . . . ?
B3' B7' B8' B4' -42.73(10) . . . . ?
B3' B7' B8' B9' -105.34(12) . . . . ?
B3' B7' B8' B12' -143.00(12) . . . . ?
B3' B7' B11' C2' -31.70(11) . . . . ?
B3' B7' B11' B6' 0.78(16) . . . . ?
B3' B7' B11' B10' 63.81(14) . . . . ?
B3' B7' B11' B12' 101.64(12) . . . . ?
B3' B7' B12' B8' 34.06(11) . . . . ?
B3' B7' B12' B9' -4.15(15) . . . . ?
B3' B7' B12' B10' -67.65(15) . . . . ?
B3' B7' B12' B11' -105.05(12) . . . . ?
B3' B8' B9' B4' 35.07(11) . . . . ?
B3' B8' B9' B5' -2.12(16) . . . . ?
B3' B8' B9' B10' -65.84(15) . . . . ?
B3' B8' B9' B12' -102.79(13) . . . . ?
B3' B8' B12' B7' -34.39(11) . . . . ?
B3' B8' B12' B9' 103.02(12) . . . . ?
B3' B8' B12' B10' 66.23(14) . . . . ?
B3' B8' B12' B11' 2.56(16) . . . . ?
B4' C1' C2' B3' 41.93(10) . . . . ?
B4' C1' C2' B6' -107.95(12) . . . . ?
B4' C1' C2' B7' 0.84(15) . . . . ?
B4' C1' C2' B11' -69.02(14) . . . . ?
B4' C1' B3' Ru1 115.05(10) . . . . ?
B4' C1' B3' C2' -134.90(11) . . . . ?
B4' C1' B3' B7' -100.31(11) . . . . ?
B4' C1' B3' B8' -41.01(10) . . . . ?
B4' C1' B5' B6' 142.45(12) . . . . ?
B4' C1' B5' B9' 39.69(10) . . . . ?
B4' C1' B5' B10' 102.24(12) . . . . ?
B4' C1' B6' C2' 100.79(12) . . . . ?
B4' C1' B6' B5' -36.82(11) . . . . ?
B4' C1' B6' B10' 3.78(15) . . . . ?
B4' C1' B6' B11' 66.12(13) . . . . ?
B4' B3' B7' C2' -89.27(10) . . . . ?
B4' B3' B7' B8' 39.86(10) . . . . ?
B4' B3' B7' B11' -58.94(13) . . . . ?
B4' B3' B7' B12' 5.79(14) . . . . ?
B4' B3' B8' B7' -132.62(11) . . . . ?
B4' B3' B8' B9' -34.18(11) . . . . ?
B4' B3' B8' B12' -98.62(12) . . . . ?
B4' B5' B6' C1' 33.15(10) . . . . ?
B4' B5' B6' C2' -1.53(14) . . . . ?
B4' B5' B6' B10' -100.29(12) . . . . ?
B4' B5' B6' B11' -61.41(14) . . . . ?
B4' B5' B9' B8' 36.68(11) . . . . ?
B4' B5' B9' B10' 138.19(11) . . . . ?
B4' B5' B9' B12' 100.19(12) . . . . ?
B4' B5' B10' B6' 101.30(12) . . . . ?
B4' B5' B10' B9' -37.14(10) . . . . ?
B4' B5' B10' B11' 62.58(14) . . . . ?
B4' B5' B10' B12' 0.12(15) . . . . ?
B4' B8' B9' B5' -37.19(11) . . . . ?
B4' B8' B9' B10' -100.91(12) . . . . ?
B4' B8' B9' B12' -137.86(12) . . . . ?
B4' B8' B12' B7' -100.17(12) . . . . ?
B4' B8' B12' B9' 37.23(10) . . . . ?
B4' B8' B12' B10' 0.44(15) . . . . ?
B4' B8' B12' B11' -63.22(14) . . . . ?
B4' B9' B10' B5' 37.84(11) . . . . ?
B4' B9' B10' B6' 0.51(16) . . . . ?
B4' B9' B10' B11' -62.93(14) . . . . ?
B4' B9' B10' B12' -99.93(12) . . . . ?
B4' B9' B12' B7' 0.52(15) . . . . ?
B4' B9' B12' B8' -37.30(10) . . . . ?
B4' B9' B12' B10' 101.88(12) . . . . ?
B4' B9' B12' B11' 64.40(14) . . . . ?
B5' C1' C2' B3' 110.14(11) . . . . ?
B5' C1' C2' B6' -39.73(11) . . . . ?
B5' C1' C2' B7' 69.05(14) . . . . ?
B5' C1' C2' B11' -0.81(15) . . . . ?
B5' C1' B3' Ru1 148.70(10) . . . . ?
B5' C1' B3' C2' -101.25(12) . . . . ?
B5' C1' B3' B4' 33.65(11) . . . . ?
B5' C1' B3' B7' -66.66(13) . . . . ?
B5' C1' B3' B8' -7.36(14) . . . . ?
B5' C1' B4' B3' -146.34(11) . . . . ?
B5' C1' B4' B8' -103.14(12) . . . . ?
B5' C1' B4' B9' -39.88(10) . . . . ?
B5' C1' B6' C2' 137.61(11) . . . . ?
B5' C1' B6' B10' 40.60(11) . . . . ?
B5' C1' B6' B11' 102.94(12) . . . . ?
B5' B4' B8' B3' -105.76(11) . . . . ?
B5' B4' B8' B7' -63.45(13) . . . . ?
B5' B4' B8' B9' 36.88(11) . . . . ?
B5' B4' B8' B12' -0.37(14) . . . . ?
B5' B4' B9' B8' -138.94(12) . . . . ?
B5' B4' B9' B10' -37.52(11) . . . . ?
B5' B4' B9' B12' -101.47(12) . . . . ?
B5' B6' B10' B9' 37.02(11) . . . . ?
B5' B6' B10' B11' 136.57(12) . . . . ?
B5' B6' B10' B12' 99.85(13) . . . . ?
B5' B6' B11' C2' 93.88(11) . . . . ?
B5' B6' B11' B7' 62.17(14) . . . . ?
B5' B6' B11' B10' -38.84(11) . . . . ?
B5' B6' B11' B12' -1.40(15) . . . . ?
B5' B9' B10' B6' -37.33(11) . . . . ?
B5' B9' B10' B11' -100.77(12) . . . . ?
B5' B9' B10' B12' -137.77(12) . . . . ?
B5' B9' B12' B7' -63.59(14) . . . . ?
B5' B9' B12' B8' -101.41(12) . . . . ?
B5' B9' B12' B10' 37.77(11) . . . . ?
B5' B9' B12' B11' 0.29(15) . . . . ?
B5' B10' B11' C2' -2.09(15) . . . . ?
B5' B10' B11' B6' 38.79(11) . . . . ?
B5' B10' B11' B7' -62.31(14) . . . . ?
B5' B10' B11' B12' -99.79(13) . . . . ?
B5' B10' B12' B7' 62.98(15) . . . . ?
B5' B10' B12' B8' -0.35(15) . . . . ?
B5' B10' B12' B9' -37.33(11) . . . . ?
B5' B10' B12' B11' 100.64(12) . . . . ?
B6' C1' C2' B3' 149.88(10) . . . . ?
B6' C1' C2' B7' 108.79(12) . . . . ?
B6' C1' C2' B11' 38.92(11) . . . . ?
B6' C1' B3' Ru1 -140.16(10) . . . . ?
B6' C1' B3' C2' -30.11(10) . . . . ?
B6' C1' B3' B4' 104.79(12) . . . . ?
B6' C1' B3' B7' 4.48(13) . . . . ?
B6' C1' B3' B8' 63.78(13) . . . . ?
B6' C1' B4' B3' -109.92(12) . . . . ?
B6' C1' B4' B5' 36.42(11) . . . . ?
B6' C1' B4' B8' -66.72(13) . . . . ?
B6' C1' B4' B9' -3.46(14) . . . . ?
B6' C1' B5' B4' -142.45(12) . . . . ?
B6' C1' B5' B9' -102.75(12) . . . . ?
B6' C1' B5' B10' -40.21(11) . . . . ?
B6' C2' B3' Ru1 123.93(11) . . . . ?
B6' C2' B3' C1' 30.78(11) . . . . ?
B6' C2' B3' B4' -5.14(14) . . . . ?
B6' C2' B3' B7' -105.93(13) . . . . ?
B6' C2' B3' B8' -63.88(14) . . . . ?
B6' C2' B7' B3' 111.30(12) . . . . ?
B6' C2' B7' B8' 67.08(14) . . . . ?
B6' C2' B7' B11' -35.62(12) . . . . ?
B6' C2' B7' B12' 4.59(15) . . . . ?
B6' C2' B11' B7' 143.87(12) . . . . ?
B6' C2' B11' B10' 40.73(11) . . . . ?
B6' C2' B11' B12' 103.52(12) . . . . ?
B6' B5' B9' B4' -101.34(12) . . . . ?
B6' B5' B9' B8' -64.67(14) . . . . ?
B6' B5' B9' B10' 36.84(11) . . . . ?
B6' B5' B9' B12' -1.15(15) . . . . ?
B6' B5' B10' B9' -138.44(12) . . . . ?
B6' B5' B10' B11' -38.73(11) . . . . ?
B6' B5' B10' B12' -101.18(12) . . . . ?
B6' B10' B11' C2' -40.88(10) . . . . ?
B6' B10' B11' B7' -101.10(12) . . . . ?
B6' B10' B11' B12' -138.58(12) . . . . ?
B6' B10' B12' B7' -0.58(16) . . . . ?
B6' B10' B12' B8' -63.91(15) . . . . ?
B6' B10' B12' B9' -100.89(13) . . . . ?
B6' B10' B12' B11' 37.09(11) . . . . ?
B6' B11' B12' B7' 101.35(12) . . . . ?
B6' B11' B12' B8' 64.76(14) . . . . ?
B6' B11' B12' B9' 0.69(15) . . . . ?
B6' B11' B12' B10' -36.86(11) . . . . ?
B7' C2' B3' Ru1 -130.14(11) . . . . ?
B7' C2' B3' C1' 136.71(11) . . . . ?
B7' C2' B3' B4' 100.79(11) . . . . ?
B7' C2' B3' B8' 42.06(10) . . . . ?
B7' C2' B6' C1' -102.96(12) . . . . ?
B7' C2' B6' B5' -67.08(14) . . . . ?
B7' C2' B6' B10' -4.97(15) . . . . ?
B7' C2' B6' B11' 36.14(12) . . . . ?
B7' C2' B11' B6' -143.87(12) . . . . ?
B7' C2' B11' B10' -103.14(12) . . . . ?
B7' C2' B11' B12' -40.36(11) . . . . ?
B7' B3' B4' C1' 90.18(10) . . . . ?
B7' B3' B4' B5' 59.43(13) . . . . ?
B7' B3' B4' B8' -40.10(10) . . . . ?
B7' B3' B4' B9' -5.48(13) . . . . ?
B7' B3' B8' B4' 132.62(11) . . . . ?
B7' B3' B8' B9' 98.44(13) . . . . ?
B7' B3' B8' B12' 34.01(11) . . . . ?
B7' B8' B9' B4' 100.01(12) . . . . ?
B7' B8' B9' B5' 62.82(14) . . . . ?
B7' B8' B9' B10' -0.91(15) . . . . ?
B7' B8' B9' B12' -37.86(11) . . . . ?
B7' B8' B12' B9' 137.41(12) . . . . ?
B7' B8' B12' B10' 100.62(13) . . . . ?
B7' B8' B12' B11' 36.95(11) . . . . ?
B7' B11' B12' B8' -36.59(11) . . . . ?
B7' B11' B12' B9' -100.66(12) . . . . ?
B7' B11' B12' B10' -138.21(12) . . . . ?
B8' B3' B4' C1' 130.28(11) . . . . ?
B8' B3' B4' B5' 99.52(13) . . . . ?
B8' B3' B4' B9' 34.62(11) . . . . ?
B8' B3' B7' C2' -129.13(11) . . . . ?
B8' B3' B7' B11' -98.80(13) . . . . ?
B8' B3' B7' B12' -34.07(11) . . . . ?
B8' B4' B5' C1' 96.66(11) . . . . ?
B8' B4' B5' B6' 62.95(14) . . . . ?
B8' B4' B5' B9' -37.37(11) . . . . ?
B8' B4' B5' B10' 0.15(14) . . . . ?
B8' B4' B9' B5' 138.94(12) . . . . ?
B8' B4' B9' B10' 101.43(13) . . . . ?
B8' B4' B9' B12' 37.48(11) . . . . ?
B8' B7' B11' C2' -96.50(12) . . . . ?
B8' B7' B11' B6' -64.02(14) . . . . ?
B8' B7' B11' B10' -1.00(15) . . . . ?
B8' B7' B11' B12' 36.83(11) . . . . ?
B8' B7' B12' B9' -38.20(11) . . . . ?
B8' B7' B12' B10' -101.70(13) . . . . ?
B8' B7' B12' B11' -139.11(12) . . . . ?
B8' B9' B10' B5' 101.06(12) . . . . ?
B8' B9' B10' B6' 63.74(15) . . . . ?
B8' B9' B10' B11' 0.30(15) . . . . ?
B8' B9' B10' B12' -36.71(11) . . . . ?
B8' B9' B12' B7' 37.82(11) . . . . ?
B8' B9' B12' B10' 139.19(12) . . . . ?
B8' B9' B12' B11' 101.70(12) . . . . ?
B9' B4' B5' C1' 134.03(12) . . . . ?
B9' B4' B5' B6' 100.32(13) . . . . ?
B9' B4' B5' B10' 37.53(11) . . . . ?
B9' B4' B8' B3' -142.63(11) . . . . ?
B9' B4' B8' B7' -100.32(12) . . . . ?
B9' B4' B8' B12' -37.24(11) . . . . ?
B9' B5' B6' C1' 96.14(12) . . . . ?
B9' B5' B6' C2' 61.45(13) . . . . ?
B9' B5' B6' B10' -37.31(11) . . . . ?
B9' B5' B6' B11' 1.57(14) . . . . ?
B9' B5' B10' B6' 138.44(12) . . . . ?
B9' B5' B10' B11' 99.71(12) . . . . ?
B9' B5' B10' B12' 37.26(11) . . . . ?
B9' B8' B12' B7' -137.41(12) . . . . ?
B9' B8' B12' B10' -36.79(11) . . . . ?
B9' B8' B12' B11' -100.45(13) . . . . ?
B9' B10' B11' C2' 60.65(14) . . . . ?
B9' B10' B11' B6' 101.52(12) . . . . ?
B9' B10' B11' B7' 0.42(15) . . . . ?
B9' B10' B11' B12' -37.06(11) . . . . ?
B9' B10' B12' B7' 100.32(13) . . . . ?
B9' B10' B12' B8' 36.99(11) . . . . ?
B9' B10' B12' B11' 137.98(12) . . . . ?
B10' B5' B6' C1' 133.44(12) . . . . ?
B10' B5' B6' C2' 98.75(12) . . . . ?
B10' B5' B6' B11' 38.88(11) . . . . ?
B10' B5' B9' B4' -138.19(11) . . . . ?
B10' B5' B9' B8' -101.51(13) . . . . ?
B10' B5' B9' B12' -37.99(11) . . . . ?
B10' B6' B11' C2' 132.72(12) . . . . ?
B10' B6' B11' B7' 101.01(13) . . . . ?
B10' B6' B11' B12' 37.45(11) . . . . ?
B10' B9' B12' B7' -101.37(12) . . . . ?
B10' B9' B12' B8' -139.19(12) . . . . ?
B10' B9' B12' B11' -37.48(11) . . . . ?
B10' B11' B12' B7' 138.21(12) . . . . ?
B10' B11' B12' B8' 101.62(13) . . . . ?
B10' B11' B12' B9' 37.55(11) . . . . ?
B11' C2' B3' Ru1 -163.70(10) . . . . ?
B11' C2' B3' C1' 103.15(13) . . . . ?
B11' C2' B3' B4' 67.23(13) . . . . ?
B11' C2' B3' B7' -33.56(12) . . . . ?
B11' C2' B3' B8' 8.49(14) . . . . ?
B11' C2' B6' C1' -139.10(12) . . . . ?
B11' C2' B6' B5' -103.22(12) . . . . ?
B11' C2' B6' B10' -41.11(11) . . . . ?
B11' C2' B7' B3' 146.92(11) . . . . ?
B11' C2' B7' B8' 102.71(12) . . . . ?
B11' C2' B7' B12' 40.22(11) . . . . ?
B11' B6' B10' B5' -136.57(12) . . . . ?
B11' B6' B10' B9' -99.55(13) . . . . ?
B11' B6' B10' B12' -36.71(11) . . . . ?
B11' B7' B8' B3' 106.50(12) . . . . ?
B11' B7' B8' B4' 63.77(14) . . . . ?
B11' B7' B8' B9' 1.16(15) . . . . ?
B11' B7' B8' B12' -36.49(11) . . . . ?
B11' B7' B12' B8' 139.11(12) . . . . ?
B11' B7' B12' B9' 100.91(13) . . . . ?
B11' B7' B12' B10' 37.41(11) . . . . ?
B11' B10' B12' B7' -37.66(11) . . . . ?
B11' B10' B12' B8' -100.99(12) . . . . ?
B11' B10' B12' B9' -137.98(12) . . . . ?
B12' B7' B8' B3' 143.00(12) . . . . ?
B12' B7' B8' B4' 100.27(12) . . . . ?
B12' B7' B8' B9' 37.66(11) . . . . ?
B12' B7' B11' C2' -133.34(12) . . . . ?
B12' B7' B11' B6' -100.86(13) . . . . ?
B12' B7' B11' B10' -37.83(11) . . . . ?
B12' B8' B9' B4' 137.86(12) . . . . ?
B12' B8' B9' B5' 100.68(13) . . . . ?
B12' B8' B9' B10' 36.95(11) . . . . ?
B12' B9' B10' B5' 137.77(12) . . . . ?
B12' B9' B10' B6' 100.45(13) . . . . ?
B12' B9' B10' B11' 37.01(11) . . . . ?
B12' B10' B11' C2' 97.70(12) . . . . ?
B12' B10' B11' B6' 138.58(12) . . . . ?
B12' B10' B11' B7' 37.48(11) . . . . ?
Cl1 Cl1A C1S Cl2 142.8(16) . . . . ?
Cl1A Cl1 C1S Cl2 -42.6(19) . . . . ?
