#------------------------------------------------------------------------------
#$Date: 2021-12-02 01:00:56 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270964 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/93/7129334.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_7129334
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, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C30.5 H47 B20 Cl P2 Ru'
_chemical_formula_weight         828.34
_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             2021-11-22
_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                 111.3870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   38.4205(9)
_cell_length_b                   10.5927(2)
_cell_length_c                   21.1877(5)
_cell_measurement_reflns_used    9491
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      74.563
_cell_measurement_theta_min      7.429
_cell_volume                     8029.1(3)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'APEX3 v2018.7-2 (Bruker, 2018)'
_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 0.993
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            54551
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.778
_diffrn_reflns_theta_min         2.470
_exptl_absorpt_coefficient_mu    4.693
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0866 before and 0.0359 after correction.
The Ratio of minimum to maximum transmission is 0.7479.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_description       block
_exptl_crystal_F_000             3368
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         8168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0213
_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)+(0.0227P)²+11.9834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0531
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8147
_reflns_number_total             8168
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc06119d2.cif
_cod_data_source_block           8v00126_0m
_cod_original_formula_sum        'C30.50 H47 B20 Cl P2 Ru'
_cod_database_code               7129334
_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   0.603
_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. Uiso/Uaniso restraints and constraints
Uanis(C214) = Uanis(C21A)
Uanis(C216) = Uanis(C23A)
Uanis(C215) = Uanis(C22A)
3. Others
 Sof(H21A)=Sof(C21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=Sof(C23A)=Sof(H23A)=1-FVAR(1)
 Sof(H213)=Sof(C214)=Sof(H214)=Sof(C215)=Sof(H215)=Sof(C216)=Sof(H216)=FVAR(1)
 Sof(C3)=Sof(C4)=Sof(H4A)=Sof(C5)=Sof(H5A)=Sof(C6)=Sof(H6A)=Sof(C7)=Sof(H7A)=
 Sof(C8)=Sof(H8A)=1-FVAR(2)
 Sof(C201)=Sof(C202)=Sof(H202)=Sof(C203)=Sof(H203)=Sof(C204)=Sof(H204)=
 Sof(C205)=Sof(H205)=Sof(C206)=Sof(H206)=FVAR(2)
 Fixed Sof: Cl1(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) Cl2(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB)
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), C213(H21A),
 C214(H214), C215(H215), C216(H216), C21A(H21B), C22A(H22A), C23A(H23A),
 C4(H4A), C5(H5A), C6(H6A), C7(H7A), C8(H8A)
4.c 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 0.36129(2) 0.34227(2) 0.26290(2) 0.01248(4) Uani 1 1 d . . . . .
P1 P 0.38857(2) 0.39814(3) 0.37392(2) 0.01225(7) Uani 1 1 d . . . . .
C1 C 0.36955(4) 0.53626(14) 0.16147(7) 0.0160(3) Uani 1 1 d . . . . .
C1' C 0.38858(4) 0.41650(13) 0.15237(6) 0.0144(3) Uani 1 1 d . . . . .
P2 P 0.30350(2) 0.28870(4) 0.26824(2) 0.01834(8) Uani 1 1 d . . . . .
C2' C 0.40544(4) 0.32767(13) 0.22384(7) 0.0146(3) Uani 1 1 d . . . . .
C2 C 0.35048(4) 0.52019(14) 0.22299(7) 0.0173(3) Uani 1 1 d . . . . .
B3 B 0.39042(4) 0.61270(15) 0.23714(8) 0.0170(3) Uani 1 1 d . . . . .
H3 H 0.4166(5) 0.5798(17) 0.2720(9) 0.020 Uiso 1 1 d . U . . .
B3' B 0.36655(5) 0.28117(16) 0.16068(8) 0.0192(3) Uani 1 1 d . . . . .
H3' H 0.3400(5) 0.2921(18) 0.1721(9) 0.023 Uiso 1 1 d . U . . .
B4' B 0.36951(5) 0.32386(17) 0.08188(8) 0.0208(3) Uani 1 1 d . . . . .
H4' H 0.3456(5) 0.3594(18) 0.0427(10) 0.025 Uiso 1 1 d . U . . .
B4 B 0.38679(5) 0.68395(16) 0.15863(9) 0.0204(3) Uani 1 1 d . . . . .
H4 H 0.4113(5) 0.6914(18) 0.1480(9) 0.024 Uiso 1 1 d . U . . .
B5 B 0.34405(5) 0.63197(19) 0.09623(9) 0.0233(3) Uani 1 1 d . . . . .
H5 H 0.3421(5) 0.6054(19) 0.0470(10) 0.028 Uiso 1 1 d . U . . .
B5' B 0.41381(4) 0.40114(16) 0.10270(8) 0.0171(3) Uani 1 1 d . . . . .
H5' H 0.4167(5) 0.4840(17) 0.0741(9) 0.021 Uiso 1 1 d . U . . .
B6 B 0.32159(5) 0.52936(19) 0.13674(8) 0.0233(4) Uani 1 1 d . . . . .
H6 H 0.3075(5) 0.4479(19) 0.1126(10) 0.028 Uiso 1 1 d . U . . .
B6' B 0.43601(4) 0.40495(15) 0.19393(8) 0.0157(3) Uani 1 1 d . . . . .
H6' H 0.4513(5) 0.4839(17) 0.2185(9) 0.019 Uiso 1 1 d . U . . .
B7' B 0.40092(5) 0.16968(15) 0.20177(8) 0.0208(3) Uani 1 1 d . . . . .
H7' H 0.3948(5) 0.1098(18) 0.2371(9) 0.025 Uiso 1 1 d . U . . .
B7 B 0.35354(5) 0.66644(16) 0.26040(9) 0.0228(3) Uani 1 1 d . . . . .
H7 H 0.3575(6) 0.6710(18) 0.3138(10) 0.027 Uiso 1 1 d . U . . .
B8' B 0.37785(6) 0.16498(17) 0.11226(9) 0.0260(4) Uani 1 1 d . . . . .
H8' H 0.3593(6) 0.0923(19) 0.0886(10) 0.031 Uiso 1 1 d . U . . .
B8 B 0.37592(6) 0.77142(17) 0.22104(9) 0.0257(4) Uani 1 1 d . . . . .
H8 H 0.3946(6) 0.8452(19) 0.2490(10) 0.031 Uiso 1 1 d . U . . .
B9' B 0.40835(5) 0.23985(17) 0.07731(8) 0.0235(3) Uani 1 1 d . . . . .
H9' H 0.4086(5) 0.2147(19) 0.0292(10) 0.028 Uiso 1 1 d . U . . .
B9 B 0.34696(6) 0.78381(19) 0.13341(10) 0.0304(4) Uani 1 1 d . . . . .
H9 H 0.3458(6) 0.869(2) 0.1040(11) 0.036 Uiso 1 1 d . U . . .
B10' B 0.44938(5) 0.29062(16) 0.14577(8) 0.0208(3) Uani 1 1 d . . . . .
H10' H 0.4758(5) 0.2962(18) 0.1415(9) 0.025 Uiso 1 1 d . U . . .
B10 B 0.30673(5) 0.6874(2) 0.11953(10) 0.0320(4) Uani 1 1 d . . . . .
H10 H 0.2795(6) 0.707(2) 0.0807(11) 0.038 Uiso 1 1 d . U . . .
B11 B 0.31108(5) 0.6156(2) 0.19832(9) 0.0278(4) Uani 1 1 d . . . . .
H11 H 0.2868(6) 0.590(2) 0.2105(10) 0.033 Uiso 1 1 d . U . . .
B11' B 0.44406(5) 0.24697(15) 0.22308(8) 0.0188(3) Uani 1 1 d . . . . .
H11' H 0.4667(5) 0.2297(18) 0.2709(9) 0.023 Uiso 1 1 d . U . . .
B12 B 0.32651(6) 0.7732(2) 0.19652(10) 0.0321(4) Uani 1 1 d . . . . .
H12 H 0.3131(6) 0.851(2) 0.2103(11) 0.039 Uiso 1 1 d . U . . .
B12' B 0.42764(6) 0.14367(17) 0.15087(9) 0.0252(4) Uani 1 1 d . . . . .
H12' H 0.4402(6) 0.0557(19) 0.1493(10) 0.030 Uiso 1 1 d . U . . .
C100 C 0.35872(4) 0.46386(14) 0.41540(7) 0.0171(3) Uani 1 1 d . . . . .
H10A H 0.340530 0.400127 0.416797 0.026 Uiso 1 1 calc R U . . .
H10B H 0.345484 0.537728 0.390031 0.026 Uiso 1 1 calc R U . . .
H10C H 0.374071 0.489148 0.461710 0.026 Uiso 1 1 calc R U . . .
C101 C 0.42905(4) 0.50372(13) 0.39958(6) 0.0140(2) Uani 1 1 d . . . . .
C102 C 0.46117(4) 0.46778(13) 0.38792(7) 0.0181(3) Uani 1 1 d . . . . .
H102 H 0.461516 0.390101 0.365745 0.022 Uiso 1 1 calc R U . . .
C103 C 0.49258(4) 0.54462(15) 0.40847(8) 0.0231(3) Uani 1 1 d . . . . .
H103 H 0.514332 0.519070 0.400543 0.028 Uiso 1 1 calc R U . . .
C104 C 0.49233(4) 0.65849(15) 0.44050(8) 0.0254(3) Uani 1 1 d . . . . .
H104 H 0.513918 0.710737 0.454838 0.030 Uiso 1 1 calc R U . . .
C105 C 0.46049(5) 0.69569(15) 0.45150(8) 0.0252(3) Uani 1 1 d . . . . .
H105 H 0.460167 0.774056 0.473087 0.030 Uiso 1 1 calc R U . . .
C106 C 0.42891(4) 0.61887(14) 0.43110(7) 0.0192(3) Uani 1 1 d . . . . .
H106 H 0.407136 0.645209 0.438749 0.023 Uiso 1 1 calc R U . . .
C111 C 0.40868(4) 0.25751(13) 0.42425(7) 0.0158(3) Uani 1 1 d . . . . .
C112 C 0.43041(4) 0.17452(14) 0.40243(8) 0.0214(3) Uani 1 1 d . . . . .
H112 H 0.433181 0.188871 0.360248 0.026 Uiso 1 1 calc R U . . .
C113 C 0.44791(5) 0.07167(15) 0.44176(8) 0.0268(3) Uani 1 1 d . . . . .
H113 H 0.462914 0.016913 0.426793 0.032 Uiso 1 1 calc R U . . .
C114 C 0.44353(5) 0.04864(14) 0.50293(8) 0.0253(3) Uani 1 1 d . . . . .
H114 H 0.455639 -0.021476 0.530010 0.030 Uiso 1 1 calc R U . . .
C115 C 0.42142(4) 0.12838(15) 0.52434(7) 0.0220(3) Uani 1 1 d . . . . .
H115 H 0.418060 0.111797 0.565812 0.026 Uiso 1 1 calc R U . . .
C116 C 0.40418(4) 0.23219(14) 0.48566(7) 0.0178(3) Uani 1 1 d . . . . .
H116 H 0.389213 0.286480 0.500963 0.021 Uiso 1 1 calc R U . . .
C200 C 0.27036(4) 0.39107(19) 0.28669(9) 0.0328(4) Uani 1 1 d . . . . .
H20A H 0.249928 0.340085 0.290491 0.049 Uiso 1 1 calc R U . . .
H20B H 0.260219 0.452658 0.250015 0.049 Uiso 1 1 calc R U . . .
H20C H 0.283085 0.435580 0.329489 0.049 Uiso 1 1 calc R U . . .
C201 C 0.3157(4) 0.1520(14) 0.3316(7) 0.014(2) Uani 0.57(3) 1 d . . P A 1
C202 C 0.3419(4) 0.0623(13) 0.3303(6) 0.0177(16) Uani 0.57(3) 1 d . . P A 1
H202 H 0.352050 0.064915 0.295613 0.021 Uiso 0.57(3) 1 calc R U P A 1
C203 C 0.3533(3) -0.0319(10) 0.3800(5) 0.0279(16) Uani 0.57(3) 1 d . . P A 1
H203 H 0.371056 -0.093396 0.378743 0.033 Uiso 0.57(3) 1 calc R U P A 1
C204 C 0.3389(4) -0.0354(14) 0.4305(7) 0.036(2) Uani 0.57(3) 1 d . . P A 1
H204 H 0.346954 -0.097899 0.464952 0.043 Uiso 0.57(3) 1 calc R U P A 1
C205 C 0.3125(3) 0.0530(13) 0.4306(5) 0.036(2) Uani 0.57(3) 1 d . . P A 1
H205 H 0.302126 0.050039 0.465042 0.043 Uiso 0.57(3) 1 calc R U P A 1
C206 C 0.3008(3) 0.1458(13) 0.3814(6) 0.0327(18) Uani 0.57(3) 1 d . . P A 1
H206 H 0.282442 0.205330 0.381971 0.039 Uiso 0.57(3) 1 calc R U P A 1
C211 C 0.27398(4) 0.21175(14) 0.18895(7) 0.0182(3) Uani 1 1 d . . . . .
C212 C 0.28840(4) 0.11250(15) 0.16282(7) 0.0216(3) Uani 1 1 d . . . . .
H212 H 0.312981 0.083072 0.187514 0.026 Uiso 1 1 calc R U . . .
C213 C 0.26774(4) 0.05573(14) 0.10171(7) 0.0220(3) Uani 1 1 d . . . . .
H213 H 0.278368 -0.010332 0.084287 0.026 Uiso 0.885(4) 1 calc R U P B 1
H21A H 0.273162 -0.028316 0.092600 0.026 Uiso 0.115(4) 1 calc R U P B 2
C214 C 0.23156(6) 0.0957(2) 0.06614(10) 0.0242(4) Uani 0.885(4) 1 d . . P B 1
H214 H 0.217293 0.057557 0.024037 0.029 Uiso 0.885(4) 1 calc R U P B 1
C215 C 0.21623(5) 0.1917(2) 0.09230(10) 0.0293(5) Uani 0.885(4) 1 d . . P B 1
H215 H 0.191291 0.218433 0.068127 0.035 Uiso 0.885(4) 1 calc R U P B 1
C216 C 0.23698(5) 0.24922(19) 0.15355(10) 0.0236(4) Uani 0.885(4) 1 d . . P B 1
H216 H 0.226067 0.313876 0.171352 0.028 Uiso 0.885(4) 1 calc R U P B 1
Cl1 Cl 0.48447(4) -0.06500(11) 0.31033(6) 0.0617(3) Uani 0.5 1 d . . P C -1
C1S C 0.4826(4) -0.1860(9) 0.2743(7) 0.123(4) Uani 0.5 1 d . . P C -1
H1SA H 0.455518 -0.203085 0.251906 0.148 Uiso 0.5 1 calc R U P C -1
H1SB H 0.491970 -0.249613 0.310876 0.148 Uiso 0.5 1 calc R U P C -1
Cl2 Cl 0.50196(5) -0.23145(18) 0.21425(9) 0.0651(4) Uani 0.5 1 d . . P C -1
C21A C 0.2392(5) 0.1222(19) 0.0541(10) 0.0242(4) Uani 0.115(4) 1 d . . P B 2
H21B H 0.227111 0.090512 0.009451 0.029 Uiso 0.115(4) 1 calc R U P B 2
C22A C 0.2291(4) 0.2332(16) 0.0731(8) 0.0293(5) Uani 0.115(4) 1 d . . P B 2
H22A H 0.209256 0.279948 0.041512 0.035 Uiso 0.115(4) 1 calc R U P B 2
C23A C 0.2473(4) 0.2810(16) 0.1382(8) 0.0236(4) Uani 0.115(4) 1 d . . P B 2
H23A H 0.241293 0.363685 0.148309 0.028 Uiso 0.115(4) 1 calc R U P B 2
C3 C 0.3085(6) 0.1781(19) 0.3310(12) 0.018(3) Uani 0.43(3) 1 d . . P A 2
C4 C 0.3333(5) 0.0817(18) 0.3338(9) 0.022(3) Uani 0.43(3) 1 d . . P A 2
H4A H 0.344172 0.078032 0.300164 0.027 Uiso 0.43(3) 1 calc R U P A 2
C5 C 0.3429(5) -0.0107(14) 0.3845(8) 0.038(3) Uani 0.43(3) 1 d . . P A 2
H5A H 0.359436 -0.077590 0.384746 0.045 Uiso 0.43(3) 1 calc R U P A 2
C6 C 0.3277(6) -0.0019(18) 0.4336(7) 0.041(4) Uani 0.43(3) 1 d . . P A 2
H6A H 0.334247 -0.063521 0.468631 0.049 Uiso 0.43(3) 1 calc R U P A 2
C7 C 0.3035(5) 0.092(2) 0.4342(7) 0.040(3) Uani 0.43(3) 1 d . . P A 2
H7A H 0.293538 0.097029 0.469062 0.047 Uiso 0.43(3) 1 calc R U P A 2
C8 C 0.2940(4) 0.1804(18) 0.3829(7) 0.027(2) Uani 0.43(3) 1 d . . P A 2
H8A H 0.276839 0.245297 0.382535 0.032 Uiso 0.43(3) 1 calc R U P A 2
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
P1 Ru1 P2 95.780(12) . . ?
P1 Ru1 B3' 149.99(4) . . ?
P1 Ru1 H3' 178.1(6) . . ?
P2 Ru1 B3' 112.50(4) . . ?
P2 Ru1 H3' 85.1(6) . . ?
C2' Ru1 P1 106.63(4) . . ?
C2' Ru1 P2 154.21(4) . . ?
C2' Ru1 B3' 43.61(5) . . ?
C2' Ru1 H3' 72.1(6) . . ?
C2 Ru1 P1 97.77(4) . . ?
C2 Ru1 P2 101.00(4) . . ?
C2 Ru1 C2' 88.67(5) . . ?
C2 Ru1 B3' 86.86(6) . . ?
C2 Ru1 H3' 83.7(6) . . ?
B3' Ru1 H3' 28.7(6) . . ?
C100 P1 Ru1 117.71(5) . . ?
C100 P1 C101 103.88(6) . . ?
C100 P1 C111 103.68(6) . . ?
C101 P1 Ru1 119.14(4) . . ?
C101 P1 C111 101.06(6) . . ?
C111 P1 Ru1 109.13(4) . . ?
C1' C1 C2 111.90(11) . . ?
C1' C1 B3 115.67(11) . . ?
C1' C1 B4 123.53(11) . . ?
C1' C1 B5 123.85(11) . . ?
C1' C1 B6 116.04(12) . . ?
C2 C1 B6 61.50(8) . . ?
B3 C1 C2 61.37(8) . . ?
B3 C1 B6 112.85(11) . . ?
B4 C1 C2 113.26(11) . . ?
B4 C1 B3 62.92(9) . . ?
B4 C1 B6 114.41(12) . . ?
B5 C1 C2 113.28(10) . . ?
B5 C1 B3 114.34(12) . . ?
B5 C1 B4 62.79(10) . . ?
B5 C1 B6 62.91(9) . . ?
C1 C1' C2' 113.35(10) . . ?
C1 C1' B3' 114.25(11) . . ?
C1 C1' B4' 121.28(11) . . ?
C1 C1' B5' 125.32(11) . . ?
C1 C1' B6' 117.86(11) . . ?
C2' C1' B3' 58.98(8) . . ?
C2' C1' B4' 111.29(11) . . ?
C2' C1' B6' 60.93(8) . . ?
B3' C1' B4' 62.48(9) . . ?
B3' C1' B6' 111.18(11) . . ?
B4' C1' B6' 116.33(11) . . ?
B5' C1' C2' 112.69(11) . . ?
B5' C1' B3' 113.88(11) . . ?
B5' C1' B4' 63.82(9) . . ?
B5' C1' B6' 64.32(9) . . ?
C200 P2 Ru1 128.16(6) . . ?
C200 P2 C201 108.2(4) . . ?
C200 P2 C211 102.33(7) . . ?
C201 P2 Ru1 102.9(4) . . ?
C211 P2 Ru1 110.12(5) . . ?
C211 P2 C201 102.6(4) . . ?
C3 P2 Ru1 111.1(7) . . ?
C3 P2 C200 97.4(7) . . ?
C3 P2 C211 105.1(7) . . ?
C1' C2' Ru1 101.87(8) . . ?
C1' C2' B6' 60.02(8) . . ?
C1' C2' B7' 109.09(10) . . ?
C1' C2' B11' 108.50(10) . . ?
B3' C2' Ru1 74.29(7) . . ?
B3' C2' C1' 60.76(8) . . ?
B3' C2' B6' 111.92(10) . . ?
B3' C2' B7' 61.78(10) . . ?
B3' C2' B11' 111.59(11) . . ?
B6' C2' Ru1 147.59(9) . . ?
B7' C2' Ru1 99.10(9) . . ?
B7' C2' B6' 111.94(11) . . ?
B11' C2' Ru1 147.79(9) . . ?
B11' C2' B6' 61.84(9) . . ?
B11' C2' B7' 61.17(10) . . ?
C1 C2 Ru1 109.03(9) . . ?
C1 C2 B3 59.07(8) . . ?
C1 C2 B6 59.32(8) . . ?
C1 C2 B7 106.42(11) . . ?
C1 C2 B11 106.25(10) . . ?
B3 C2 Ru1 114.31(9) . . ?
B3 C2 B6 109.14(11) . . ?
B6 C2 Ru1 115.84(10) . . ?
B7 C2 Ru1 131.93(9) . . ?
B7 C2 B3 60.67(10) . . ?
B7 C2 B6 109.81(12) . . ?
B7 C2 B11 61.37(11) . . ?
B11 C2 Ru1 133.21(10) . . ?
B11 C2 B3 109.83(12) . . ?
B11 C2 B6 60.31(10) . . ?
C1 B3 C2 59.56(8) . . ?
C1 B3 H3 119.7(10) . . ?
C1 B3 B4 58.44(9) . . ?
C1 B3 B7 105.42(11) . . ?
C1 B3 B8 105.22(11) . . ?
C2 B3 H3 118.8(10) . . ?
C2 B3 B4 108.13(11) . . ?
C2 B3 B7 58.89(9) . . ?
C2 B3 B8 107.75(11) . . ?
B4 B3 H3 121.2(9) . . ?
B7 B3 H3 124.4(9) . . ?
B7 B3 B4 109.12(11) . . ?
B7 B3 B8 61.01(10) . . ?
B8 B3 H3 126.7(10) . . ?
B8 B3 B4 60.35(9) . . ?
Ru1 B3' H3' 52.2(9) . . ?
C1' B3' Ru1 94.40(8) . . ?
C1' B3' H3' 117.0(10) . . ?
C1' B3' B4' 58.93(9) . . ?
C1' B3' B7' 107.81(11) . . ?
C1' B3' B8' 106.92(11) . . ?
C2' B3' Ru1 62.10(7) . . ?
C2' B3' C1' 60.26(8) . . ?
C2' B3' H3' 114.1(9) . . ?
C2' B3' B4' 109.41(11) . . ?
C2' B3' B7' 60.62(9) . . ?
C2' B3' B8' 109.53(12) . . ?
B4' B3' Ru1 149.13(11) . . ?
B4' B3' H3' 123.0(9) . . ?
B7' B3' Ru1 91.74(8) . . ?
B7' B3' H3' 122.5(9) . . ?
B7' B3' B4' 110.18(12) . . ?
B7' B3' B8' 60.96(10) . . ?
B8' B3' Ru1 149.17(11) . . ?
B8' B3' H3' 128.9(10) . . ?
B8' B3' B4' 60.92(10) . . ?
C1' B4' B3' 58.59(8) . . ?
C1' B4' H4' 117.0(10) . . ?
C1' B4' B5' 57.17(8) . . ?
C1' B4' B8' 105.18(11) . . ?
C1' B4' B9' 103.58(11) . . ?
B3' B4' H4' 119.7(10) . . ?
B3' B4' B5' 105.43(11) . . ?
B3' B4' B8' 59.05(10) . . ?
B5' B4' H4' 120.3(10) . . ?
B8' B4' H4' 127.5(10) . . ?
B8' B4' B5' 108.16(12) . . ?
B9' B4' B3' 105.55(12) . . ?
B9' B4' H4' 130.1(10) . . ?
B9' B4' B5' 59.96(10) . . ?
B9' B4' B8' 60.17(10) . . ?
C1 B4 B3 58.64(9) . . ?
C1 B4 H4 117.8(10) . . ?
C1 B4 B5 58.54(9) . . ?
C1 B4 B8 104.53(11) . . ?
C1 B4 B9 104.69(12) . . ?
B3 B4 H4 117.5(10) . . ?
B5 B4 B3 107.40(12) . . ?
B5 B4 H4 121.5(10) . . ?
B5 B4 B8 108.03(12) . . ?
B8 B4 B3 59.26(9) . . ?
B8 B4 H4 126.3(10) . . ?
B9 B4 B3 107.36(12) . . ?
B9 B4 H4 129.3(10) . . ?
B9 B4 B5 59.99(11) . . ?
B9 B4 B8 60.30(10) . . ?
C1 B5 B4 58.67(9) . . ?
C1 B5 H5 117.0(11) . . ?
C1 B5 B6 59.03(9) . . ?
C1 B5 B9 104.72(12) . . ?
C1 B5 B10 104.74(11) . . ?
B4 B5 H5 122.0(11) . . ?
B4 B5 B6 107.90(11) . . ?
B6 B5 H5 116.0(11) . . ?
B9 B5 B4 59.90(11) . . ?
B9 B5 H5 130.5(11) . . ?
B9 B5 B6 107.49(12) . . ?
B9 B5 B10 60.28(12) . . ?
B10 B5 B4 108.10(13) . . ?
B10 B5 H5 126.1(11) . . ?
B10 B5 B6 59.26(11) . . ?
C1' B5' B4' 59.00(8) . . ?
C1' B5' H5' 117.9(9) . . ?
C1' B5' B6' 58.81(8) . . ?
C1' B5' B9' 104.53(11) . . ?
C1' B5' B10' 104.68(11) . . ?
B4' B5' H5' 120.6(9) . . ?
B4' B5' B6' 107.99(10) . . ?
B6' B5' H5' 118.1(9) . . ?
B9' B5' B4' 59.38(10) . . ?
B9' B5' H5' 128.8(9) . . ?
B9' B5' B6' 107.60(11) . . ?
B10' B5' B4' 107.98(12) . . ?
B10' B5' H5' 126.7(9) . . ?
B10' B5' B6' 59.40(9) . . ?
B10' B5' B9' 60.47(10) . . ?
C1 B6 C2 59.17(8) . . ?
C1 B6 B5 58.07(9) . . ?
C1 B6 H6 119.1(11) . . ?
C1 B6 B10 104.61(13) . . ?
C1 B6 B11 105.20(12) . . ?
C2 B6 B5 107.43(12) . . ?
C2 B6 H6 118.6(11) . . ?
C2 B6 B10 107.51(13) . . ?
B5 B6 H6 121.2(10) . . ?
B10 B6 B5 60.05(10) . . ?
B10 B6 H6 127.7(11) . . ?
B11 B6 C2 59.11(9) . . ?
B11 B6 B5 108.79(14) . . ?
B11 B6 H6 125.1(10) . . ?
B11 B6 B10 60.98(11) . . ?
C1' B6' C2' 59.06(8) . . ?
C1' B6' B5' 56.87(8) . . ?
C1' B6' H6' 119.9(10) . . ?
C1' B6' B10' 103.26(11) . . ?
C1' B6' B11' 105.32(11) . . ?
C2' B6' B5' 105.24(10) . . ?
C2' B6' H6' 122.0(9) . . ?
C2' B6' B10' 105.36(11) . . ?
C2' B6' B11' 58.73(8) . . ?
B5' B6' H6' 120.7(10) . . ?
B10' B6' B5' 59.50(9) . . ?
B10' B6' H6' 127.1(10) . . ?
B11' B6' B5' 107.83(11) . . ?
B11' B6' H6' 126.0(10) . . ?
B11' B6' B10' 60.38(9) . . ?
C2' B7' B3' 57.61(9) . . ?
C2' B7' H7' 114.2(10) . . ?
C2' B7' B8' 106.11(12) . . ?
C2' B7' B11' 59.08(9) . . ?
C2' B7' B12' 107.07(11) . . ?
B3' B7' H7' 115.5(10) . . ?
B3' B7' B8' 59.70(10) . . ?
B3' B7' B11' 106.50(11) . . ?
B3' B7' B12' 107.68(12) . . ?
B8' B7' H7' 125.4(10) . . ?
B11' B7' H7' 121.6(10) . . ?
B11' B7' B8' 110.15(12) . . ?
B11' B7' B12' 61.53(10) . . ?
B12' B7' H7' 131.4(10) . . ?
B12' B7' B8' 61.14(11) . . ?
C2 B7 B3 60.43(9) . . ?
C2 B7 H7 118.6(10) . . ?
C2 B7 B8 107.95(12) . . ?
C2 B7 B11 59.60(10) . . ?
C2 B7 B12 107.35(13) . . ?
B3 B7 H7 119.2(11) . . ?
B3 B7 B8 59.74(10) . . ?
B3 B7 B11 108.24(12) . . ?
B3 B7 B12 107.43(12) . . ?
B8 B7 H7 123.4(10) . . ?
B11 B7 H7 121.9(11) . . ?
B11 B7 B8 108.26(13) . . ?
B11 B7 B12 60.16(12) . . ?
B12 B7 H7 125.8(10) . . ?
B12 B7 B8 59.75(11) . . ?
B3' B8' B4' 60.04(10) . . ?
B3' B8' B7' 59.34(10) . . ?
B3' B8' H8' 121.7(11) . . ?
B3' B8' B9' 105.71(12) . . ?
B3' B8' B12' 105.71(12) . . ?
B4' B8' H8' 121.3(11) . . ?
B4' B8' B12' 107.63(12) . . ?
B7' B8' B4' 108.17(11) . . ?
B7' B8' H8' 121.3(11) . . ?
B7' B8' B9' 106.44(13) . . ?
B7' B8' B12' 58.98(10) . . ?
B9' B8' B4' 59.39(10) . . ?
B9' B8' H8' 124.4(11) . . ?
B9' B8' B12' 59.62(10) . . ?
B12' B8' H8' 123.5(11) . . ?
B3 B8 B4 60.39(9) . . ?
B3 B8 B7 59.25(9) . . ?
B3 B8 H8 118.9(11) . . ?
B3 B8 B9 107.68(13) . . ?
B3 B8 B12 107.15(13) . . ?
B4 B8 B7 107.76(12) . . ?
B4 B8 H8 119.6(11) . . ?
B4 B8 B9 59.59(10) . . ?
B7 B8 H8 122.1(11) . . ?
B7 B8 B9 107.88(14) . . ?
B9 B8 H8 123.6(11) . . ?
B12 B8 B4 107.61(14) . . ?
B12 B8 B7 59.88(11) . . ?
B12 B8 H8 125.3(11) . . ?
B12 B8 B9 60.09(11) . . ?
B4' B9' B5' 60.66(9) . . ?
B4' B9' B8' 60.43(10) . . ?
B4' B9' H9' 118.9(11) . . ?
B4' B9' B10' 108.37(11) . . ?
B4' B9' B12' 109.26(12) . . ?
B5' B9' B8' 108.92(12) . . ?
B5' B9' H9' 119.4(11) . . ?
B5' B9' B10' 59.69(9) . . ?
B5' B9' B12' 108.60(12) . . ?
B8' B9' H9' 121.8(11) . . ?
B8' B9' B10' 108.33(11) . . ?
B10' B9' H9' 122.8(11) . . ?
B12' B9' B8' 60.62(11) . . ?
B12' B9' H9' 123.6(11) . . ?
B12' B9' B10' 60.06(10) . . ?
B4 B9 B5 60.11(10) . . ?
B4 B9 B8 60.11(10) . . ?
B4 B9 H9 121.1(11) . . ?
B4 B9 B10 107.97(13) . . ?
B4 B9 B12 107.68(12) . . ?
B5 B9 B8 107.98(12) . . ?
B5 B9 H9 120.9(11) . . ?
B5 B9 B10 59.91(11) . . ?
B5 B9 B12 107.55(14) . . ?
B8 B9 H9 122.4(12) . . ?
B10 B9 B8 107.63(13) . . ?
B10 B9 H9 121.9(11) . . ?
B12 B9 B8 59.64(11) . . ?
B12 B9 H9 123.0(11) . . ?
B12 B9 B10 59.73(12) . . ?
B5' B10' B9' 59.83(10) . . ?
B5' B10' H10' 120.2(10) . . ?
B5' B10' B11' 108.55(11) . . ?
B5' B10' B12' 108.40(12) . . ?
B6' B10' B5' 61.10(9) . . ?
B6' B10' B9' 108.45(11) . . ?
B6' B10' H10' 120.0(10) . . ?
B6' B10' B11' 59.69(9) . . ?
B6' B10' B12' 108.64(11) . . ?
B9' B10' H10' 122.6(10) . . ?
B11' B10' B9' 107.70(12) . . ?
B11' B10' H10' 122.0(10) . . ?
B11' B10' B12' 60.44(9) . . ?
B12' B10' B9' 59.68(10) . . ?
B12' B10' H10' 122.7(11) . . ?
B5 B10 B9 59.81(11) . . ?
B5 B10 H10 120.1(11) . . ?
B5 B10 B11 107.98(12) . . ?
B6 B10 B5 60.70(10) . . ?
B6 B10 B9 108.25(12) . . ?
B6 B10 H10 118.8(12) . . ?
B6 B10 B11 59.30(10) . . ?
B6 B10 B12 107.30(12) . . ?
B9 B10 H10 123.7(12) . . ?
B9 B10 B11 108.02(14) . . ?
B11 B10 H10 121.5(11) . . ?
B12 B10 B5 107.78(14) . . ?
B12 B10 B9 60.12(12) . . ?
B12 B10 H10 124.8(12) . . ?
B12 B10 B11 59.79(11) . . ?
C2 B11 B6 60.59(9) . . ?
C2 B11 B7 59.03(9) . . ?
C2 B11 B10 107.68(12) . . ?
C2 B11 H11 120.7(11) . . ?
C2 B11 B12 107.00(13) . . ?
B6 B11 B7 108.16(12) . . ?
B6 B11 B10 59.72(11) . . ?
B6 B11 H11 119.6(11) . . ?
B6 B11 B12 107.69(13) . . ?
B7 B11 B10 108.21(14) . . ?
B7 B11 H11 122.6(11) . . ?
B7 B11 B12 60.29(11) . . ?
B10 B11 H11 122.2(11) . . ?
B12 B11 B10 59.86(12) . . ?
B12 B11 H11 124.3(11) . . ?
C2' B11' B6' 59.43(8) . . ?
C2' B11' B7' 59.75(9) . . ?
C2' B11' B10' 105.56(11) . . ?
C2' B11' H11' 118.5(10) . . ?
C2' B11' B12' 105.94(12) . . ?
B6' B11' B10' 59.93(9) . . ?
B6' B11' H11' 117.6(10) . . ?
B6' B11' B12' 108.41(11) . . ?
B7' B11' B6' 108.83(12) . . ?
B7' B11' B10' 107.37(12) . . ?
B7' B11' H11' 121.6(10) . . ?
B7' B11' B12' 59.43(10) . . ?
B10' B11' H11' 125.5(10) . . ?
B10' B11' B12' 59.90(10) . . ?
B12' B11' H11' 127.3(10) . . ?
B7 B12 B9 108.42(12) . . ?
B7 B12 H12 119.3(12) . . ?
B8 B12 B7 60.37(10) . . ?
B8 B12 B9 60.28(11) . . ?
B8 B12 B10 108.47(13) . . ?
B8 B12 B11 108.27(12) . . ?
B8 B12 H12 119.8(12) . . ?
B9 B12 H12 122.9(12) . . ?
B10 B12 B7 108.02(14) . . ?
B10 B12 B9 60.15(12) . . ?
B10 B12 H12 124.0(12) . . ?
B11 B12 B7 59.56(10) . . ?
B11 B12 B9 108.48(14) . . ?
B11 B12 B10 60.35(12) . . ?
B11 B12 H12 121.6(12) . . ?
B7' B12' B8' 59.88(10) . . ?
B7' B12' B9' 107.27(13) . . ?
B7' B12' B10' 106.87(12) . . ?
B7' B12' B11' 59.04(9) . . ?
B7' B12' H12' 122.2(11) . . ?
B8' B12' H12' 121.2(11) . . ?
B9' B12' B8' 59.76(10) . . ?
B9' B12' B10' 60.26(10) . . ?
B9' B12' B11' 107.54(12) . . ?
B9' B12' H12' 121.7(11) . . ?
B10' B12' B8' 107.81(12) . . ?
B10' B12' B11' 59.66(9) . . ?
B10' B12' H12' 122.6(11) . . ?
B11' B12' B8' 107.19(12) . . ?
B11' B12' H12' 122.8(11) . . ?
P1 C100 H10A 109.5 . . ?
P1 C100 H10B 109.5 . . ?
P1 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 P1 119.40(10) . . ?
C106 C101 P1 121.76(10) . . ?
C106 C101 C102 118.83(13) . . ?
C101 C102 H102 119.7 . . ?
C103 C102 C101 120.53(13) . . ?
C103 C102 H102 119.7 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.26(14) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 120.2 . . ?
C105 C104 C103 119.64(14) . . ?
C105 C104 H104 120.2 . . ?
C104 C105 H105 119.8 . . ?
C104 C105 C106 120.35(14) . . ?
C106 C105 H105 119.8 . . ?
C101 C106 C105 120.37(13) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C112 C111 P1 119.58(10) . . ?
C116 C111 P1 121.91(11) . . ?
C116 C111 C112 118.47(13) . . ?
C111 C112 H112 119.6 . . ?
C113 C112 C111 120.72(14) . . ?
C113 C112 H112 119.6 . . ?
C112 C113 H113 119.9 . . ?
C112 C113 C114 120.11(14) . . ?
C114 C113 H113 119.9 . . ?
C113 C114 H114 120.1 . . ?
C115 C114 C113 119.72(14) . . ?
C115 C114 H114 120.1 . . ?
C114 C115 H115 119.8 . . ?
C114 C115 C116 120.49(14) . . ?
C116 C115 H115 119.8 . . ?
C111 C116 H116 119.8 . . ?
C115 C116 C111 120.47(13) . . ?
C115 C116 H116 119.8 . . ?
P2 C200 H20A 109.5 . . ?
P2 C200 H20B 109.5 . . ?
P2 C200 H20C 109.5 . . ?
H20A C200 H20B 109.5 . . ?
H20A C200 H20C 109.5 . . ?
H20B C200 H20C 109.5 . . ?
C202 C201 P2 119.9(9) . . ?
C206 C201 P2 120.7(7) . . ?
C206 C201 C202 119.2(9) . . ?
C201 C202 H202 119.9 . . ?
C201 C202 C203 120.3(8) . . ?
C203 C202 H202 119.9 . . ?
C202 C203 H203 120.0 . . ?
C204 C203 C202 120.0(6) . . ?
C204 C203 H203 120.0 . . ?
C203 C204 H204 120.4 . . ?
C203 C204 C205 119.2(9) . . ?
C205 C204 H204 120.4 . . ?
C204 C205 H205 119.5 . . ?
C204 C205 C206 121.1(9) . . ?
C206 C205 H205 119.5 . . ?
C201 C206 C205 120.2(6) . . ?
C201 C206 H206 119.9 . . ?
C205 C206 H206 119.9 . . ?
C212 C211 P2 119.68(11) . . ?
C212 C211 C216 118.27(14) . . ?
C216 C211 P2 122.05(12) . . ?
C23A C211 P2 120.4(6) . . ?
C23A C211 C212 112.2(6) . . ?
C211 C212 H212 119.2 . . ?
C213 C212 C211 121.57(14) . . ?
C213 C212 H212 119.2 . . ?
C212 C213 H213 120.1 . . ?
C212 C213 H21A 120.2 . . ?
C214 C213 C212 119.72(15) . . ?
C214 C213 H213 120.1 . . ?
C21A C213 C212 119.5(8) . . ?
C21A C213 H21A 120.2 . . ?
C213 C214 H214 120.2 . . ?
C213 C214 C215 119.65(17) . . ?
C215 C214 H214 120.2 . . ?
C214 C215 H215 119.6 . . ?
C214 C215 C216 120.73(17) . . ?
C216 C215 H215 119.6 . . ?
C211 C216 H216 120.0 . . ?
C215 C216 C211 119.98(16) . . ?
C215 C216 H216 120.0 . . ?
Cl1 C1S H1SA 104.5 . . ?
Cl1 C1S H1SB 104.5 . . ?
Cl1 C1S Cl2 131.0(6) . . ?
H1SA C1S H1SB 105.7 . . ?
Cl2 C1S H1SA 104.5 . . ?
Cl2 C1S H1SB 104.5 . . ?
C213 C21A H21B 121.1 . . ?
C22A C21A C213 117.8(15) . . ?
C22A C21A H21B 121.1 . . ?
C21A C22A H22A 119.4 . . ?
C21A C22A C23A 121.2(15) . . ?
C23A C22A H22A 119.4 . . ?
C211 C23A C22A 122.3(13) . . ?
C211 C23A H23A 118.8 . . ?
C22A C23A H23A 118.8 . . ?
C4 C3 P2 114.6(15) . . ?
C4 C3 C8 116.3(15) . . ?
C8 C3 P2 128.7(10) . . ?
C3 C4 H4A 118.8 . . ?
C3 C4 C5 122.4(13) . . ?
C5 C4 H4A 118.8 . . ?
C4 C5 H5A 121.0 . . ?
C6 C5 C4 118.0(9) . . ?
C6 C5 H5A 121.0 . . ?
C5 C6 H6A 118.8 . . ?
C7 C6 C5 122.4(11) . . ?
C7 C6 H6A 118.8 . . ?
C6 C7 H7A 120.8 . . ?
C6 C7 C8 118.3(11) . . ?
C8 C7 H7A 120.8 . . ?
C3 C8 H8A 118.7 . . ?
C7 C8 C3 122.6(10) . . ?
C7 C8 H8A 118.7 . . ?
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 2.2769(3) . ?
Ru1 P2 2.3341(3) . ?
Ru1 C2' 2.1472(14) . ?
Ru1 C2 2.0452(15) . ?
Ru1 B3' 2.3388(15) . ?
Ru1 H3' 1.873(18) . ?
P1 C100 1.8184(14) . ?
P1 C101 1.8301(13) . ?
P1 C111 1.8309(14) . ?
C1 C1' 1.5113(19) . ?
C1 C2 1.7209(18) . ?
C1 B3 1.712(2) . ?
C1 B4 1.708(2) . ?
C1 B5 1.706(2) . ?
C1 B6 1.724(2) . ?
C1' C2' 1.6979(18) . ?
C1' B3' 1.706(2) . ?
C1' B4' 1.712(2) . ?
C1' B5' 1.6787(19) . ?
C1' B6' 1.715(2) . ?
P2 C200 1.8200(17) . ?
P2 C201 1.912(14) . ?
P2 C211 1.8394(14) . ?
P2 C3 1.73(2) . ?
C2' B3' 1.676(2) . ?
C2' B6' 1.730(2) . ?
C2' B7' 1.729(2) . ?
C2' B11' 1.718(2) . ?
C2 B3 1.752(2) . ?
C2 B6 1.761(2) . ?
C2 B7 1.725(2) . ?
C2 B11 1.735(2) . ?
B3 H3 1.067(18) . ?
B3 B4 1.785(2) . ?
B3 B7 1.756(2) . ?
B3 B8 1.765(2) . ?
B3' H3' 1.136(18) . ?
B3' B4' 1.773(2) . ?
B3' B7' 1.749(3) . ?
B3' B8' 1.755(2) . ?
B4' H4' 1.06(2) . ?
B4' B5' 1.793(2) . ?
B4' B8' 1.789(3) . ?
B4' B9' 1.770(3) . ?
B4 H4 1.050(19) . ?
B4 B5 1.779(3) . ?
B4 B8 1.784(2) . ?
B4 B9 1.775(2) . ?
B5 H5 1.056(19) . ?
B5 B6 1.790(2) . ?
B5 B9 1.776(3) . ?
B5 B10 1.778(3) . ?
B5' H5' 1.095(18) . ?
B5' B6' 1.806(2) . ?
B5' B9' 1.780(2) . ?
B5' B10' 1.778(2) . ?
B6 H6 1.05(2) . ?
B6 B10 1.764(3) . ?
B6 B11 1.756(3) . ?
B6' H6' 1.045(18) . ?
B6' B10' 1.776(2) . ?
B6' B11' 1.771(2) . ?
B7' H7' 1.071(19) . ?
B7' B8' 1.777(2) . ?
B7' B11' 1.754(2) . ?
B7' B12' 1.761(2) . ?
B7 H7 1.09(2) . ?
B7 B8 1.787(3) . ?
B7 B11 1.765(3) . ?
B7 B12 1.779(2) . ?
B8' H8' 1.04(2) . ?
B8' B9' 1.784(3) . ?
B8' B12' 1.799(3) . ?
B8 H8 1.08(2) . ?
B8 B9 1.788(3) . ?
B8 B12 1.776(3) . ?
B9' H9' 1.058(19) . ?
B9' B10' 1.792(3) . ?
B9' B12' 1.781(3) . ?
B9 H9 1.09(2) . ?
B9 B10 1.785(3) . ?
B9 B12 1.784(3) . ?
B10' H10' 1.053(19) . ?
B10' B11' 1.784(2) . ?
B10' B12' 1.788(3) . ?
B10 H10 1.09(2) . ?
B10 B11 1.786(3) . ?
B10 B12 1.777(3) . ?
B11 H11 1.09(2) . ?
B11 B12 1.776(3) . ?
B11' H11' 1.084(18) . ?
B11' B12' 1.798(2) . ?
B12 H12 1.07(2) . ?
B12' H12' 1.06(2) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.3968(19) . ?
C101 C106 1.392(2) . ?
C102 H102 0.9500 . ?
C102 C103 1.387(2) . ?
C103 H103 0.9500 . ?
C103 C104 1.386(2) . ?
C104 H104 0.9500 . ?
C104 C105 1.384(2) . ?
C105 H105 0.9500 . ?
C105 C106 1.392(2) . ?
C106 H106 0.9500 . ?
C111 C112 1.402(2) . ?
C111 C116 1.3995(19) . ?
C112 H112 0.9500 . ?
C112 C113 1.387(2) . ?
C113 H113 0.9500 . ?
C113 C114 1.388(2) . ?
C114 H114 0.9500 . ?
C114 C115 1.386(2) . ?
C115 H115 0.9500 . ?
C115 C116 1.387(2) . ?
C116 H116 0.9500 . ?
C200 H20A 0.9800 . ?
C200 H20B 0.9800 . ?
C200 H20C 0.9800 . ?
C201 C202 1.391(8) . ?
C201 C206 1.374(18) . ?
C202 H202 0.9500 . ?
C202 C203 1.399(17) . ?
C203 H203 0.9500 . ?
C203 C204 1.375(16) . ?
C204 H204 0.9500 . ?
C204 C205 1.381(8) . ?
C205 H205 0.9500 . ?
C205 C206 1.384(15) . ?
C206 H206 0.9500 . ?
C211 C212 1.394(2) . ?
C211 C216 1.401(2) . ?
C211 C23A 1.393(15) . ?
C212 H212 0.9500 . ?
C212 C213 1.385(2) . ?
C213 H213 0.9500 . ?
C213 H21A 0.9500 . ?
C213 C214 1.384(3) . ?
C213 C21A 1.38(2) . ?
C214 H214 0.9500 . ?
C214 C215 1.388(3) . ?
C215 H215 0.9500 . ?
C215 C216 1.392(3) . ?
C216 H216 0.9500 . ?
Cl1 C1S 1.480(10) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S Cl2 1.759(9) . ?
C21A H21B 0.9500 . ?
C21A C22A 1.34(3) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.40(2) . ?
C23A H23A 0.9500 . ?
C3 C4 1.382(12) . ?
C3 C8 1.40(3) . ?
C4 H4A 0.9500 . ?
C4 C5 1.40(2) . ?
C5 H5A 0.9500 . ?
C5 C6 1.370(19) . ?
C6 H6A 0.9500 . ?
C6 C7 1.368(12) . ?
C7 H7A 0.9500 . ?
C7 C8 1.38(2) . ?
C8 H8A 0.9500 . ?
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 C102 -59.25(12) . . . . ?
Ru1 P1 C101 C106 121.36(11) . . . . ?
Ru1 P1 C111 C112 47.00(12) . . . . ?
Ru1 P1 C111 C116 -135.40(10) . . . . ?
Ru1 P2 C211 C212 49.57(13) . . . . ?
Ru1 P2 C211 C216 -130.80(14) . . . . ?
Ru1 P2 C211 C23A -97.5(9) . . . . ?
Ru1 P2 C3 C4 -43.1(14) . . . . ?
Ru1 P2 C3 C8 129.9(17) . . . . ?
Ru1 C2' B3' C1' 113.73(8) . . . . ?
Ru1 C2' B3' B4' 147.48(12) . . . . ?
Ru1 C2' B3' B7' -109.73(8) . . . . ?
Ru1 C2' B3' B8' -147.47(11) . . . . ?
Ru1 C2' B6' C1' -62.25(17) . . . . ?
Ru1 C2' B6' B5' -96.79(18) . . . . ?
Ru1 C2' B6' B10' -158.71(14) . . . . ?
Ru1 C2' B6' B11' 161.33(18) . . . . ?
Ru1 C2' B7' B3' 66.59(8) . . . . ?
Ru1 C2' B7' B8' 102.96(11) . . . . ?
Ru1 C2' B7' B11' -152.86(9) . . . . ?
Ru1 C2' B7' B12' 167.05(10) . . . . ?
Ru1 C2' B11' B6' -161.22(18) . . . . ?
Ru1 C2' B11' B7' 57.67(18) . . . . ?
Ru1 C2' B11' B10' 158.99(14) . . . . ?
Ru1 C2' B11' B12' 96.50(18) . . . . ?
Ru1 C2 B3 C1 98.42(10) . . . . ?
Ru1 C2 B3 B4 132.20(10) . . . . ?
Ru1 C2 B3 B7 -125.97(10) . . . . ?
Ru1 C2 B3 B8 -164.02(9) . . . . ?
Ru1 C2 B6 C1 -97.70(10) . . . . ?
Ru1 C2 B6 B5 -131.30(11) . . . . ?
Ru1 C2 B6 B10 165.43(10) . . . . ?
Ru1 C2 B6 B11 126.84(12) . . . . ?
Ru1 C2 B7 B3 97.48(13) . . . . ?
Ru1 C2 B7 B8 135.02(12) . . . . ?
Ru1 C2 B7 B11 -123.93(14) . . . . ?
Ru1 C2 B7 B12 -161.95(11) . . . . ?
Ru1 C2 B11 B6 -98.79(14) . . . . ?
Ru1 C2 B11 B7 122.13(14) . . . . ?
Ru1 C2 B11 B10 -136.85(13) . . . . ?
Ru1 C2 B11 B12 160.12(11) . . . . ?
Ru1 B3' B4' C1' 33.54(19) . . . . ?
Ru1 B3' B4' B5' 67.7(2) . . . . ?
Ru1 B3' B4' B8' 169.9(2) . . . . ?
Ru1 B3' B4' B9' 130.18(19) . . . . ?
Ru1 B3' B7' C2' -56.34(7) . . . . ?
Ru1 B3' B7' B8' 164.95(10) . . . . ?
Ru1 B3' B7' B11' -90.99(10) . . . . ?
Ru1 B3' B7' B12' -155.69(10) . . . . ?
Ru1 B3' B8' B4' -169.9(2) . . . . ?
Ru1 B3' B8' B7' -30.4(2) . . . . ?
Ru1 B3' B8' B9' -130.51(18) . . . . ?
Ru1 B3' B8' B12' -68.3(2) . . . . ?
P1 C101 C102 C103 -178.32(11) . . . . ?
P1 C101 C106 C105 178.43(12) . . . . ?
P1 C111 C112 C113 175.89(12) . . . . ?
P1 C111 C116 C115 -176.56(11) . . . . ?
C1 C1' C2' Ru1 40.99(12) . . . . ?
C1 C1' C2' B3' 105.22(12) . . . . ?
C1 C1' C2' B6' -110.02(12) . . . . ?
C1 C1' C2' B7' 145.11(12) . . . . ?
C1 C1' C2' B11' -149.87(11) . . . . ?
C1 C1' B3' Ru1 -49.43(11) . . . . ?
C1 C1' B3' C2' -103.68(12) . . . . ?
C1 C1' B3' B4' 114.05(13) . . . . ?
C1 C1' B3' B7' -142.69(11) . . . . ?
C1 C1' B3' B8' 153.11(12) . . . . ?
C1 C1' B4' B3' -103.03(14) . . . . ?
C1 C1' B4' B5' 117.08(14) . . . . ?
C1 C1' B4' B8' -140.84(13) . . . . ?
C1 C1' B4' B9' 156.85(12) . . . . ?
C1 C1' B5' B4' -111.15(14) . . . . ?
C1 C1' B5' B6' 107.14(14) . . . . ?
C1 C1' B5' B9' -150.84(13) . . . . ?
C1 C1' B5' B10' 146.45(13) . . . . ?
C1 C1' B6' C2' 102.66(12) . . . . ?
C1 C1' B6' B5' -118.13(13) . . . . ?
C1 C1' B6' B10' -157.20(11) . . . . ?
C1 C1' B6' B11' 140.31(11) . . . . ?
C1 C2 B3 B4 33.78(10) . . . . ?
C1 C2 B3 B7 135.62(11) . . . . ?
C1 C2 B3 B8 97.56(12) . . . . ?
C1 C2 B6 B5 -33.60(11) . . . . ?
C1 C2 B6 B10 -96.87(13) . . . . ?
C1 C2 B6 B11 -135.47(13) . . . . ?
C1 C2 B7 B3 -38.72(10) . . . . ?
C1 C2 B7 B8 -1.18(15) . . . . ?
C1 C2 B7 B11 99.87(11) . . . . ?
C1 C2 B7 B12 61.85(14) . . . . ?
C1 C2 B11 B6 38.93(11) . . . . ?
C1 C2 B11 B7 -100.16(12) . . . . ?
C1 C2 B11 B10 0.86(17) . . . . ?
C1 C2 B11 B12 -62.16(14) . . . . ?
C1 B3 B4 B5 33.75(11) . . . . ?
C1 B3 B4 B8 134.77(12) . . . . ?
C1 B3 B4 B9 96.93(13) . . . . ?
C1 B3 B7 C2 38.72(10) . . . . ?
C1 B3 B7 B8 -99.12(12) . . . . ?
C1 B3 B7 B11 1.81(15) . . . . ?
C1 B3 B7 B12 -61.72(15) . . . . ?
C1 B3 B8 B4 -38.82(11) . . . . ?
C1 B3 B8 B7 99.45(12) . . . . ?
C1 B3 B8 B9 -1.23(15) . . . . ?
C1 B3 B8 B12 62.07(14) . . . . ?
C1 B4 B5 B6 33.93(11) . . . . ?
C1 B4 B5 B9 134.16(12) . . . . ?
C1 B4 B5 B10 96.57(13) . . . . ?
C1 B4 B8 B3 38.78(10) . . . . ?
C1 B4 B8 B7 1.86(16) . . . . ?
C1 B4 B8 B9 -98.84(13) . . . . ?
C1 B4 B8 B12 -61.32(14) . . . . ?
C1 B4 B9 B5 -39.24(10) . . . . ?
C1 B4 B9 B8 98.58(12) . . . . ?
C1 B4 B9 B10 -1.84(16) . . . . ?
C1 B4 B9 B12 61.24(17) . . . . ?
C1 B5 B6 C2 34.05(11) . . . . ?
C1 B5 B6 B10 134.60(14) . . . . ?
C1 B5 B6 B11 96.56(12) . . . . ?
C1 B5 B9 B4 39.31(10) . . . . ?
C1 B5 B9 B8 1.57(16) . . . . ?
C1 B5 B9 B10 -98.80(12) . . . . ?
C1 B5 B9 B12 -61.38(15) . . . . ?
C1 B5 B10 B6 -39.14(12) . . . . ?
C1 B5 B10 B9 98.76(13) . . . . ?
C1 B5 B10 B11 -2.04(19) . . . . ?
C1 B5 B10 B12 61.12(17) . . . . ?
C1 B6 B10 B5 38.64(11) . . . . ?
C1 B6 B10 B9 1.04(16) . . . . ?
C1 B6 B10 B11 -99.51(13) . . . . ?
C1 B6 B10 B12 -62.43(15) . . . . ?
C1 B6 B11 C2 -38.61(11) . . . . ?
C1 B6 B11 B7 -2.39(16) . . . . ?
C1 B6 B11 B10 98.52(14) . . . . ?
C1 B6 B11 B12 61.32(15) . . . . ?
C1' C1 C2 Ru1 0.69(13) . . . . ?
C1' C1 C2 B3 108.21(12) . . . . ?
C1' C1 C2 B6 -108.67(13) . . . . ?
C1' C1 C2 B7 147.69(11) . . . . ?
C1' C1 C2 B11 -148.06(12) . . . . ?
C1' C1 B3 C2 -102.07(12) . . . . ?
C1' C1 B3 B4 116.27(13) . . . . ?
C1' C1 B3 B7 -140.47(12) . . . . ?
C1' C1 B3 B8 156.01(12) . . . . ?
C1' C1 B4 B3 -104.18(14) . . . . ?
C1' C1 B4 B5 114.25(14) . . . . ?
C1' C1 B4 B8 -143.26(13) . . . . ?
C1' C1 B4 B9 154.20(12) . . . . ?
C1' C1 B5 B4 -113.77(14) . . . . ?
C1' C1 B5 B6 104.51(15) . . . . ?
C1' C1 B5 B9 -153.68(13) . . . . ?
C1' C1 B5 B10 143.76(14) . . . . ?
C1' C1 B6 C2 101.95(12) . . . . ?
C1' C1 B6 B5 -116.52(13) . . . . ?
C1' C1 B6 B10 -156.12(12) . . . . ?
C1' C1 B6 B11 140.54(13) . . . . ?
C1' C2' B3' Ru1 -113.73(8) . . . . ?
C1' C2' B3' B4' 33.75(11) . . . . ?
C1' C2' B3' B7' 136.54(11) . . . . ?
C1' C2' B3' B8' 98.80(12) . . . . ?
C1' C2' B6' B5' -34.55(9) . . . . ?
C1' C2' B6' B10' -96.47(11) . . . . ?
C1' C2' B6' B11' -136.43(11) . . . . ?
C1' C2' B7' B3' -39.43(10) . . . . ?
C1' C2' B7' B8' -3.06(15) . . . . ?
C1' C2' B7' B11' 101.12(11) . . . . ?
C1' C2' B7' B12' 61.03(15) . . . . ?
C1' C2' B11' B6' 39.02(10) . . . . ?
C1' C2' B11' B7' -102.09(11) . . . . ?
C1' C2' B11' B10' -0.77(14) . . . . ?
C1' C2' B11' B12' -63.26(13) . . . . ?
C1' B3' B4' B5' 34.17(10) . . . . ?
C1' B3' B4' B8' 136.38(13) . . . . ?
C1' B3' B4' B9' 96.64(12) . . . . ?
C1' B3' B7' C2' 38.85(10) . . . . ?
C1' B3' B7' B8' -99.86(12) . . . . ?
C1' B3' B7' B11' 4.20(14) . . . . ?
C1' B3' B7' B12' -60.50(14) . . . . ?
C1' B3' B8' B4' -38.14(11) . . . . ?
C1' B3' B8' B7' 101.35(12) . . . . ?
C1' B3' B8' B9' 1.27(16) . . . . ?
C1' B3' B8' B12' 63.45(14) . . . . ?
C1' B4' B5' B6' 33.87(10) . . . . ?
C1' B4' B5' B9' 134.08(12) . . . . ?
C1' B4' B5' B10' 96.65(12) . . . . ?
C1' B4' B8' B3' 37.59(11) . . . . ?
C1' B4' B8' B7' 1.57(16) . . . . ?
C1' B4' B8' B9' -97.17(12) . . . . ?
C1' B4' B8' B12' -60.73(14) . . . . ?
C1' B4' B9' B5' -38.39(10) . . . . ?
C1' B4' B9' B8' 99.90(12) . . . . ?
C1' B4' B9' B10' -1.20(15) . . . . ?
C1' B4' B9' B12' 62.63(15) . . . . ?
C1' B5' B6' C2' 35.50(10) . . . . ?
C1' B5' B6' B10' 134.61(12) . . . . ?
C1' B5' B6' B11' 96.98(11) . . . . ?
C1' B5' B9' B4' 39.50(10) . . . . ?
C1' B5' B9' B8' 1.79(15) . . . . ?
C1' B5' B9' B10' -98.86(11) . . . . ?
C1' B5' B9' B12' -62.62(15) . . . . ?
C1' B5' B10' B6' -39.02(10) . . . . ?
C1' B5' B10' B9' 98.61(12) . . . . ?
C1' B5' B10' B11' -1.51(15) . . . . ?
C1' B5' B10' B12' 62.58(14) . . . . ?
C1' B6' B10' B5' 37.77(10) . . . . ?
C1' B6' B10' B9' -0.12(14) . . . . ?
C1' B6' B10' B11' -100.27(11) . . . . ?
C1' B6' B10' B12' -63.44(14) . . . . ?
C1' B6' B11' C2' -37.80(9) . . . . ?
C1' B6' B11' B7' -2.85(14) . . . . ?
C1' B6' B11' B10' 96.77(12) . . . . ?
C1' B6' B11' B12' 60.22(14) . . . . ?
P2 C201 C202 C203 174.7(10) . . . . ?
P2 C201 C206 C205 -174.1(9) . . . . ?
P2 C211 C212 C213 -177.00(12) . . . . ?
P2 C211 C216 C215 177.34(16) . . . . ?
P2 C211 C23A C22A 168.2(13) . . . . ?
P2 C3 C4 C5 175.2(14) . . . . ?
P2 C3 C8 C7 -172.7(14) . . . . ?
C2' C1' B3' Ru1 54.24(7) . . . . ?
C2' C1' B3' B4' -142.28(12) . . . . ?
C2' C1' B3' B7' -39.01(10) . . . . ?
C2' C1' B3' B8' -103.22(13) . . . . ?
C2' C1' B4' B3' 34.24(11) . . . . ?
C2' C1' B4' B5' -105.65(12) . . . . ?
C2' C1' B4' B8' -3.56(15) . . . . ?
C2' C1' B4' B9' -65.87(13) . . . . ?
C2' C1' B5' B4' 103.47(12) . . . . ?
C2' C1' B5' B6' -38.23(10) . . . . ?
C2' C1' B5' B9' 63.78(13) . . . . ?
C2' C1' B5' B10' 1.07(14) . . . . ?
C2' C1' B6' B5' 139.21(11) . . . . ?
C2' C1' B6' B10' 100.14(11) . . . . ?
C2' C1' B6' B11' 37.65(9) . . . . ?
C2' B3' B4' C1' -34.28(11) . . . . ?
C2' B3' B4' B5' -0.11(16) . . . . ?
C2' B3' B4' B8' 102.10(14) . . . . ?
C2' B3' B4' B9' 62.36(15) . . . . ?
C2' B3' B7' B8' -138.71(12) . . . . ?
C2' B3' B7' B11' -34.65(10) . . . . ?
C2' B3' B7' B12' -99.35(13) . . . . ?
C2' B3' B8' B4' -101.89(12) . . . . ?
C2' B3' B8' B7' 37.59(11) . . . . ?
C2' B3' B8' B9' -62.49(15) . . . . ?
C2' B3' B8' B12' -0.30(15) . . . . ?
C2' B6' B10' B5' 98.89(11) . . . . ?
C2' B6' B10' B9' 60.99(13) . . . . ?
C2' B6' B10' B11' -39.16(10) . . . . ?
C2' B6' B10' B12' -2.32(15) . . . . ?
C2' B6' B11' B7' 34.95(10) . . . . ?
C2' B6' B11' B10' 134.57(12) . . . . ?
C2' B6' B11' B12' 98.02(12) . . . . ?
C2' B7' B8' B3' -35.45(11) . . . . ?
C2' B7' B8' B4' 0.88(17) . . . . ?
C2' B7' B8' B9' 63.37(15) . . . . ?
C2' B7' B8' B12' 100.93(13) . . . . ?
C2' B7' B11' B6' -34.83(10) . . . . ?
C2' B7' B11' B10' -98.21(12) . . . . ?
C2' B7' B11' B12' -135.55(12) . . . . ?
C2' B7' B12' B8' -99.34(13) . . . . ?
C2' B7' B12' B9' -61.52(15) . . . . ?
C2' B7' B12' B10' 1.82(16) . . . . ?
C2' B7' B12' B11' 38.93(11) . . . . ?
C2' B11' B12' B7' -38.98(11) . . . . ?
C2' B11' B12' B8' -1.92(15) . . . . ?
C2' B11' B12' B9' 61.01(15) . . . . ?
C2' B11' B12' B10' 99.02(12) . . . . ?
C2 C1 C1' C2' -28.45(14) . . . . ?
C2 C1 C1' B3' 36.65(14) . . . . ?
C2 C1 C1' B4' 108.03(13) . . . . ?
C2 C1 C1' B5' -173.63(11) . . . . ?
C2 C1 C1' B6' -96.70(13) . . . . ?
C2 C1 B3 B4 -141.67(11) . . . . ?
C2 C1 B3 B7 -38.41(10) . . . . ?
C2 C1 B3 B8 -101.92(12) . . . . ?
C2 C1 B4 B3 36.34(10) . . . . ?
C2 C1 B4 B5 -105.24(12) . . . . ?
C2 C1 B4 B8 -2.74(15) . . . . ?
C2 C1 B4 B9 -65.28(14) . . . . ?
C2 C1 B5 B4 105.19(12) . . . . ?
C2 C1 B5 B6 -36.53(12) . . . . ?
C2 C1 B5 B9 65.28(14) . . . . ?
C2 C1 B5 B10 2.72(17) . . . . ?
C2 C1 B6 B5 141.53(13) . . . . ?
C2 C1 B6 B10 101.92(13) . . . . ?
C2 C1 B6 B11 38.58(11) . . . . ?
C2 B3 B4 C1 -34.24(10) . . . . ?
C2 B3 B4 B5 -0.49(15) . . . . ?
C2 B3 B4 B8 100.53(13) . . . . ?
C2 B3 B4 B9 62.69(15) . . . . ?
C2 B3 B7 B8 -137.85(12) . . . . ?
C2 B3 B7 B11 -36.92(11) . . . . ?
C2 B3 B7 B12 -100.45(14) . . . . ?
C2 B3 B8 B4 -101.17(12) . . . . ?
C2 B3 B8 B7 37.11(11) . . . . ?
C2 B3 B8 B9 -63.57(14) . . . . ?
C2 B3 B8 B12 -0.28(15) . . . . ?
C2 B6 B10 B5 100.40(12) . . . . ?
C2 B6 B10 B9 62.80(15) . . . . ?
C2 B6 B10 B11 -37.74(11) . . . . ?
C2 B6 B10 B12 -0.66(16) . . . . ?
C2 B6 B11 B7 36.23(11) . . . . ?
C2 B6 B11 B10 137.14(14) . . . . ?
C2 B6 B11 B12 99.94(13) . . . . ?
C2 B7 B8 B3 -37.85(11) . . . . ?
C2 B7 B8 B4 -0.43(16) . . . . ?
C2 B7 B8 B9 62.49(15) . . . . ?
C2 B7 B8 B12 100.02(14) . . . . ?
C2 B7 B11 B6 -36.90(12) . . . . ?
C2 B7 B11 B10 -100.11(13) . . . . ?
C2 B7 B11 B12 -137.33(12) . . . . ?
C2 B7 B12 B8 -101.05(13) . . . . ?
C2 B7 B12 B9 -63.29(18) . . . . ?
C2 B7 B12 B10 0.39(17) . . . . ?
C2 B7 B12 B11 37.77(11) . . . . ?
C2 B11 B12 B7 -37.42(11) . . . . ?
C2 B11 B12 B8 -0.36(16) . . . . ?
C2 B11 B12 B9 63.52(16) . . . . ?
C2 B11 B12 B10 100.94(13) . . . . ?
B3 C1 C1' C2' 39.23(15) . . . . ?
B3 C1 C1' B3' 104.32(13) . . . . ?
B3 C1 C1' B4' 175.71(11) . . . . ?
B3 C1 C1' B5' -105.95(14) . . . . ?
B3 C1 C1' B6' -29.02(16) . . . . ?
B3 C1 C2 Ru1 -107.52(10) . . . . ?
B3 C1 C2 B6 143.12(12) . . . . ?
B3 C1 C2 B7 39.48(11) . . . . ?
B3 C1 C2 B11 103.73(13) . . . . ?
B3 C1 B4 B5 -141.57(12) . . . . ?
B3 C1 B4 B8 -39.08(11) . . . . ?
B3 C1 B4 B9 -101.62(12) . . . . ?
B3 C1 B5 B4 37.40(11) . . . . ?
B3 C1 B5 B6 -104.33(13) . . . . ?
B3 C1 B5 B9 -2.52(15) . . . . ?
B3 C1 B5 B10 -65.07(16) . . . . ?
B3 C1 B6 C2 -34.86(11) . . . . ?
B3 C1 B6 B5 106.66(13) . . . . ?
B3 C1 B6 B10 67.06(14) . . . . ?
B3 C1 B6 B11 3.72(16) . . . . ?
B3 C2 B6 C1 33.02(11) . . . . ?
B3 C2 B6 B5 -0.58(16) . . . . ?
B3 C2 B6 B10 -63.85(14) . . . . ?
B3 C2 B6 B11 -102.45(13) . . . . ?
B3 C2 B7 B8 37.54(11) . . . . ?
B3 C2 B7 B11 138.59(12) . . . . ?
B3 C2 B7 B12 100.57(13) . . . . ?
B3 C2 B11 B6 101.28(12) . . . . ?
B3 C2 B11 B7 -37.81(11) . . . . ?
B3 C2 B11 B10 63.21(16) . . . . ?
B3 C2 B11 B12 0.19(15) . . . . ?
B3 B4 B5 C1 -33.79(10) . . . . ?
B3 B4 B5 B6 0.13(16) . . . . ?
B3 B4 B5 B9 100.37(13) . . . . ?
B3 B4 B5 B10 62.78(15) . . . . ?
B3 B4 B8 B7 -36.91(11) . . . . ?
B3 B4 B8 B9 -137.62(14) . . . . ?
B3 B4 B8 B12 -100.10(13) . . . . ?
B3 B4 B9 B5 -100.45(13) . . . . ?
B3 B4 B9 B8 37.37(12) . . . . ?
B3 B4 B9 B10 -63.05(16) . . . . ?
B3 B4 B9 B12 0.03(19) . . . . ?
B3 B7 B8 B4 37.42(11) . . . . ?
B3 B7 B8 B9 100.34(13) . . . . ?
B3 B7 B8 B12 137.87(14) . . . . ?
B3 B7 B11 C2 37.28(11) . . . . ?
B3 B7 B11 B6 0.38(17) . . . . ?
B3 B7 B11 B10 -62.83(16) . . . . ?
B3 B7 B11 B12 -100.05(13) . . . . ?
B3 B7 B12 B8 -37.39(12) . . . . ?
B3 B7 B12 B9 0.37(19) . . . . ?
B3 B7 B12 B10 64.05(17) . . . . ?
B3 B7 B12 B11 101.43(13) . . . . ?
B3 B8 B9 B4 -37.96(12) . . . . ?
B3 B8 B9 B5 -0.22(17) . . . . ?
B3 B8 B9 B10 63.04(16) . . . . ?
B3 B8 B9 B12 99.99(14) . . . . ?
B3 B8 B12 B7 37.11(12) . . . . ?
B3 B8 B12 B9 -100.91(14) . . . . ?
B3 B8 B12 B10 -63.56(16) . . . . ?
B3 B8 B12 B11 0.40(17) . . . . ?
B3' C1' C2' Ru1 -64.23(8) . . . . ?
B3' C1' C2' B6' 144.77(11) . . . . ?
B3' C1' C2' B7' 39.89(11) . . . . ?
B3' C1' C2' B11' 104.91(12) . . . . ?
B3' C1' B4' B5' -139.89(12) . . . . ?
B3' C1' B4' B8' -37.81(11) . . . . ?
B3' C1' B4' B9' -100.12(13) . . . . ?
B3' C1' B5' B4' 38.67(12) . . . . ?
B3' C1' B5' B6' -103.04(12) . . . . ?
B3' C1' B5' B9' -1.02(15) . . . . ?
B3' C1' B5' B10' -63.73(14) . . . . ?
B3' C1' B6' C2' -32.02(10) . . . . ?
B3' C1' B6' B5' 107.19(12) . . . . ?
B3' C1' B6' B10' 68.12(13) . . . . ?
B3' C1' B6' B11' 5.63(14) . . . . ?
B3' C2' B6' C1' 32.86(11) . . . . ?
B3' C2' B6' B5' -1.68(15) . . . . ?
B3' C2' B6' B10' -63.60(14) . . . . ?
B3' C2' B6' B11' -103.56(12) . . . . ?
B3' C2' B7' B8' 36.37(11) . . . . ?
B3' C2' B7' B11' 140.55(11) . . . . ?
B3' C2' B7' B12' 100.46(13) . . . . ?
B3' C2' B11' B6' 104.09(12) . . . . ?
B3' C2' B11' B7' -37.02(11) . . . . ?
B3' C2' B11' B10' 64.30(14) . . . . ?
B3' C2' B11' B12' 1.81(14) . . . . ?
B3' B4' B5' C1' -34.78(11) . . . . ?
B3' B4' B5' B6' -0.90(15) . . . . ?
B3' B4' B5' B9' 99.31(13) . . . . ?
B3' B4' B5' B10' 61.88(14) . . . . ?
B3' B4' B8' B7' -36.02(12) . . . . ?
B3' B4' B8' B9' -134.76(12) . . . . ?
B3' B4' B8' B12' -98.32(12) . . . . ?
B3' B4' B9' B5' -99.09(11) . . . . ?
B3' B4' B9' B8' 39.20(11) . . . . ?
B3' B4' B9' B10' -61.91(14) . . . . ?
B3' B4' B9' B12' 1.92(16) . . . . ?
B3' B7' B8' B4' 36.32(12) . . . . ?
B3' B7' B8' B9' 98.82(13) . . . . ?
B3' B7' B8' B12' 136.37(12) . . . . ?
B3' B7' B11' C2' 34.03(10) . . . . ?
B3' B7' B11' B6' -0.80(15) . . . . ?
B3' B7' B11' B10' -64.18(14) . . . . ?
B3' B7' B11' B12' -101.52(12) . . . . ?
B3' B7' B12' B8' -38.70(11) . . . . ?
B3' B7' B12' B9' -0.89(16) . . . . ?
B3' B7' B12' B10' 62.46(15) . . . . ?
B3' B7' B12' B11' 99.57(12) . . . . ?
B3' B8' B9' B4' -39.72(12) . . . . ?
B3' B8' B9' B5' -1.91(17) . . . . ?
B3' B8' B9' B10' 61.45(16) . . . . ?
B3' B8' B9' B12' 99.27(13) . . . . ?
B3' B8' B12' B7' 38.06(11) . . . . ?
B3' B8' B12' B9' -99.28(13) . . . . ?
B3' B8' B12' B10' -61.50(14) . . . . ?
B3' B8' B12' B11' 1.37(15) . . . . ?
B4' C1' C2' Ru1 -99.84(10) . . . . ?
B4' C1' C2' B3' -35.62(11) . . . . ?
B4' C1' C2' B6' 109.15(12) . . . . ?
B4' C1' C2' B7' 4.27(14) . . . . ?
B4' C1' C2' B11' 69.30(13) . . . . ?
B4' C1' B3' Ru1 -163.48(11) . . . . ?
B4' C1' B3' C2' 142.28(12) . . . . ?
B4' C1' B3' B7' 103.27(12) . . . . ?
B4' C1' B3' B8' 39.06(12) . . . . ?
B4' C1' B5' B6' -141.71(12) . . . . ?
B4' C1' B5' B9' -39.69(11) . . . . ?
B4' C1' B5' B10' -102.40(13) . . . . ?
B4' C1' B6' C2' -100.86(12) . . . . ?
B4' C1' B6' B5' 38.35(11) . . . . ?
B4' C1' B6' B10' -0.71(15) . . . . ?
B4' C1' B6' B11' -63.20(14) . . . . ?
B4' B3' B7' C2' 101.50(12) . . . . ?
B4' B3' B7' B8' -37.22(11) . . . . ?
B4' B3' B7' B11' 66.85(14) . . . . ?
B4' B3' B7' B12' 2.15(16) . . . . ?
B4' B3' B8' B7' 139.49(12) . . . . ?
B4' B3' B8' B9' 39.41(11) . . . . ?
B4' B3' B8' B12' 101.59(13) . . . . ?
B4' B5' B6' C1' -33.95(11) . . . . ?
B4' B5' B6' C2' 1.55(14) . . . . ?
B4' B5' B6' B10' 100.66(13) . . . . ?
B4' B5' B6' B11' 63.03(14) . . . . ?
B4' B5' B9' B8' -37.71(12) . . . . ?
B4' B5' B9' B10' -138.36(11) . . . . ?
B4' B5' B9' B12' -102.13(13) . . . . ?
B4' B5' B10' B6' -100.68(11) . . . . ?
B4' B5' B10' B9' 36.95(10) . . . . ?
B4' B5' B10' B11' -63.18(14) . . . . ?
B4' B5' B10' B12' 0.92(15) . . . . ?
B4' B8' B9' B5' 37.81(11) . . . . ?
B4' B8' B9' B10' 101.17(13) . . . . ?
B4' B8' B9' B12' 138.99(12) . . . . ?
B4' B8' B12' B7' 101.00(12) . . . . ?
B4' B8' B12' B9' -36.34(11) . . . . ?
B4' B8' B12' B10' 1.44(15) . . . . ?
B4' B8' B12' B11' 64.31(14) . . . . ?
B4' B9' B10' B5' -37.61(11) . . . . ?
B4' B9' B10' B6' 0.85(15) . . . . ?
B4' B9' B10' B11' 63.98(15) . . . . ?
B4' B9' B10' B12' 102.11(13) . . . . ?
B4' B9' B12' B7' -0.67(17) . . . . ?
B4' B9' B12' B8' 37.20(12) . . . . ?
B4' B9' B12' B10' -100.60(13) . . . . ?
B4' B9' B12' B11' -62.85(16) . . . . ?
B4 C1 C1' C2' 112.53(13) . . . . ?
B4 C1 C1' B3' 177.62(12) . . . . ?
B4 C1 C1' B4' -110.99(15) . . . . ?
B4 C1 C1' B5' -32.66(19) . . . . ?
B4 C1 C1' B6' 44.27(17) . . . . ?
B4 C1 C2 Ru1 -144.47(9) . . . . ?
B4 C1 C2 B3 -36.94(11) . . . . ?
B4 C1 C2 B6 106.17(13) . . . . ?
B4 C1 C2 B7 2.53(14) . . . . ?
B4 C1 C2 B11 66.78(14) . . . . ?
B4 C1 B3 C2 141.67(11) . . . . ?
B4 C1 B3 B7 103.26(12) . . . . ?
B4 C1 B3 B8 39.75(11) . . . . ?
B4 C1 B5 B6 -141.72(13) . . . . ?
B4 C1 B5 B9 -39.92(11) . . . . ?
B4 C1 B5 B10 -102.47(15) . . . . ?
B4 C1 B6 C2 -104.30(12) . . . . ?
B4 C1 B6 B5 37.23(12) . . . . ?
B4 C1 B6 B10 -2.38(15) . . . . ?
B4 C1 B6 B11 -65.72(15) . . . . ?
B4 B3 B7 C2 100.10(12) . . . . ?
B4 B3 B7 B8 -37.75(12) . . . . ?
B4 B3 B7 B11 63.18(15) . . . . ?
B4 B3 B7 B12 -0.35(17) . . . . ?
B4 B3 B8 B7 138.28(13) . . . . ?
B4 B3 B8 B9 37.60(12) . . . . ?
B4 B3 B8 B12 100.89(14) . . . . ?
B4 B5 B6 C1 -33.78(11) . . . . ?
B4 B5 B6 C2 0.27(16) . . . . ?
B4 B5 B6 B10 100.82(14) . . . . ?
B4 B5 B6 B11 62.77(15) . . . . ?
B4 B5 B9 B8 -37.74(12) . . . . ?
B4 B5 B9 B10 -138.11(12) . . . . ?
B4 B5 B9 B12 -100.69(14) . . . . ?
B4 B5 B10 B6 -100.48(13) . . . . ?
B4 B5 B10 B9 37.43(12) . . . . ?
B4 B5 B10 B11 -63.38(18) . . . . ?
B4 B5 B10 B12 -0.22(17) . . . . ?
B4 B8 B9 B5 37.74(12) . . . . ?
B4 B8 B9 B10 101.00(14) . . . . ?
B4 B8 B9 B12 137.95(14) . . . . ?
B4 B8 B12 B7 100.71(13) . . . . ?
B4 B8 B12 B9 -37.30(12) . . . . ?
B4 B8 B12 B10 0.04(17) . . . . ?
B4 B8 B12 B11 64.00(15) . . . . ?
B4 B9 B10 B5 -37.49(12) . . . . ?
B4 B9 B10 B6 0.50(17) . . . . ?
B4 B9 B10 B11 63.24(17) . . . . ?
B4 B9 B10 B12 100.39(14) . . . . ?
B4 B9 B12 B7 -0.2(2) . . . . ?
B4 B9 B12 B8 37.55(13) . . . . ?
B4 B9 B12 B10 -100.89(15) . . . . ?
B4 B9 B12 B11 -63.39(18) . . . . ?
B5 C1 C1' C2' -169.95(12) . . . . ?
B5 C1 C1' B3' -104.86(14) . . . . ?
B5 C1 C1' B4' -33.47(19) . . . . ?
B5 C1 C1' B5' 44.87(19) . . . . ?
B5 C1 C1' B6' 121.80(14) . . . . ?
B5 C1 C2 Ru1 146.44(10) . . . . ?
B5 C1 C2 B3 -106.04(13) . . . . ?
B5 C1 C2 B6 37.08(13) . . . . ?
B5 C1 C2 B7 -66.56(14) . . . . ?
B5 C1 C2 B11 -2.31(16) . . . . ?
B5 C1 B3 C2 104.32(12) . . . . ?
B5 C1 B3 B4 -37.35(11) . . . . ?
B5 C1 B3 B7 65.91(14) . . . . ?
B5 C1 B3 B8 2.40(15) . . . . ?
B5 C1 B4 B3 141.57(12) . . . . ?
B5 C1 B4 B8 102.49(13) . . . . ?
B5 C1 B4 B9 39.95(11) . . . . ?
B5 C1 B6 C2 -141.53(13) . . . . ?
B5 C1 B6 B10 -39.60(12) . . . . ?
B5 C1 B6 B11 -102.94(14) . . . . ?
B5 B4 B8 B3 99.92(13) . . . . ?
B5 B4 B8 B7 63.01(15) . . . . ?
B5 B4 B8 B9 -37.70(12) . . . . ?
B5 B4 B8 B12 -0.18(16) . . . . ?
B5 B4 B9 B8 137.82(13) . . . . ?
B5 B4 B9 B10 37.40(12) . . . . ?
B5 B4 B9 B12 100.48(16) . . . . ?
B5 B6 B10 B9 -37.60(12) . . . . ?
B5 B6 B10 B11 -138.15(14) . . . . ?
B5 B6 B10 B12 -101.07(15) . . . . ?
B5 B6 B11 C2 -99.50(12) . . . . ?
B5 B6 B11 B7 -63.27(15) . . . . ?
B5 B6 B11 B10 37.64(12) . . . . ?
B5 B6 B11 B12 0.44(16) . . . . ?
B5 B9 B10 B6 37.99(12) . . . . ?
B5 B9 B10 B11 100.73(14) . . . . ?
B5 B9 B10 B12 137.88(13) . . . . ?
B5 B9 B12 B7 63.16(18) . . . . ?
B5 B9 B12 B8 100.95(14) . . . . ?
B5 B9 B12 B10 -37.49(12) . . . . ?
B5 B9 B12 B11 0.01(17) . . . . ?
B5 B10 B11 C2 0.7(2) . . . . ?
B5 B10 B11 B6 -37.71(13) . . . . ?
B5 B10 B11 B7 63.12(18) . . . . ?
B5 B10 B11 B12 100.52(16) . . . . ?
B5 B10 B12 B7 -63.82(17) . . . . ?
B5 B10 B12 B8 0.11(18) . . . . ?
B5 B10 B12 B9 37.51(12) . . . . ?
B5 B10 B12 B11 -100.85(14) . . . . ?
B5' C1' C2' Ru1 -169.34(9) . . . . ?
B5' C1' C2' B3' -105.11(12) . . . . ?
B5' C1' C2' B6' 39.65(11) . . . . ?
B5' C1' C2' B7' -65.22(14) . . . . ?
B5' C1' C2' B11' -0.20(14) . . . . ?
B5' C1' B3' Ru1 157.30(9) . . . . ?
B5' C1' B3' C2' 103.06(12) . . . . ?
B5' C1' B3' B4' -39.22(12) . . . . ?
B5' C1' B3' B7' 64.05(14) . . . . ?
B5' C1' B3' B8' -0.16(16) . . . . ?
B5' C1' B4' B3' 139.89(12) . . . . ?
B5' C1' B4' B8' 102.09(13) . . . . ?
B5' C1' B4' B9' 39.77(11) . . . . ?
B5' C1' B6' C2' -139.21(11) . . . . ?
B5' C1' B6' B10' -39.07(10) . . . . ?
B5' C1' B6' B11' -101.56(12) . . . . ?
B5' B4' B8' B3' 97.45(12) . . . . ?
B5' B4' B8' B7' 61.43(15) . . . . ?
B5' B4' B8' B9' -37.31(11) . . . . ?
B5' B4' B8' B12' -0.88(15) . . . . ?
B5' B4' B9' B8' 138.29(12) . . . . ?
B5' B4' B9' B10' 37.19(11) . . . . ?
B5' B4' B9' B12' 101.02(13) . . . . ?
B5' B6' B10' B9' -37.90(11) . . . . ?
B5' B6' B10' B11' -138.04(12) . . . . ?
B5' B6' B10' B12' -101.21(13) . . . . ?
B5' B6' B11' C2' -97.33(11) . . . . ?
B5' B6' B11' B7' -62.38(13) . . . . ?
B5' B6' B11' B10' 37.24(11) . . . . ?
B5' B6' B11' B12' 0.69(15) . . . . ?
B5' B9' B10' B6' 38.46(10) . . . . ?
B5' B9' B10' B11' 101.58(12) . . . . ?
B5' B9' B10' B12' 139.72(12) . . . . ?
B5' B9' B12' B7' 63.85(16) . . . . ?
B5' B9' B12' B8' 101.72(13) . . . . ?
B5' B9' B12' B10' -36.08(11) . . . . ?
B5' B9' B12' B11' 1.67(17) . . . . ?
B5' B10' B11' C2' 1.42(15) . . . . ?
B5' B10' B11' B6' -38.13(11) . . . . ?
B5' B10' B11' B7' 63.97(15) . . . . ?
B5' B10' B11' B12' 101.10(14) . . . . ?
B5' B10' B12' B7' -64.51(15) . . . . ?
B5' B10' B12' B8' -1.46(15) . . . . ?
B5' B10' B12' B9' 36.09(11) . . . . ?
B5' B10' B12' B11' -101.35(12) . . . . ?
B6 C1 C1' C2' -96.37(13) . . . . ?
B6 C1 C1' B3' -31.27(15) . . . . ?
B6 C1 C1' B4' 40.11(16) . . . . ?
B6 C1 C1' B5' 118.45(14) . . . . ?
B6 C1 C1' B6' -164.62(11) . . . . ?
B6 C1 C2 Ru1 109.36(11) . . . . ?
B6 C1 C2 B3 -143.12(12) . . . . ?
B6 C1 C2 B7 -103.64(13) . . . . ?
B6 C1 C2 B11 -39.39(12) . . . . ?
B6 C1 B3 C2 34.92(11) . . . . ?
B6 C1 B3 B4 -106.75(13) . . . . ?
B6 C1 B3 B7 -3.49(15) . . . . ?
B6 C1 B3 B8 -67.00(14) . . . . ?
B6 C1 B4 B3 104.30(12) . . . . ?
B6 C1 B4 B5 -37.27(11) . . . . ?
B6 C1 B4 B8 65.22(14) . . . . ?
B6 C1 B4 B9 2.68(15) . . . . ?
B6 C1 B5 B4 141.72(13) . . . . ?
B6 C1 B5 B9 101.81(13) . . . . ?
B6 C1 B5 B10 39.25(13) . . . . ?
B6 C2 B3 C1 -33.12(11) . . . . ?
B6 C2 B3 B4 0.67(15) . . . . ?
B6 C2 B3 B7 102.50(12) . . . . ?
B6 C2 B3 B8 64.45(14) . . . . ?
B6 C2 B7 B3 -101.39(11) . . . . ?
B6 C2 B7 B8 -63.85(15) . . . . ?
B6 C2 B7 B11 37.21(11) . . . . ?
B6 C2 B7 B12 -0.82(16) . . . . ?
B6 C2 B11 B7 -139.09(13) . . . . ?
B6 C2 B11 B10 -38.07(13) . . . . ?
B6 C2 B11 B12 -101.09(13) . . . . ?
B6 B5 B9 B4 100.95(12) . . . . ?
B6 B5 B9 B8 63.21(15) . . . . ?
B6 B5 B9 B10 -37.16(11) . . . . ?
B6 B5 B9 B12 0.25(16) . . . . ?
B6 B5 B10 B9 137.90(13) . . . . ?
B6 B5 B10 B11 37.10(14) . . . . ?
B6 B5 B10 B12 100.26(14) . . . . ?
B6 B10 B11 C2 38.46(12) . . . . ?
B6 B10 B11 B7 100.83(13) . . . . ?
B6 B10 B11 B12 138.23(13) . . . . ?
B6 B10 B12 B7 0.18(17) . . . . ?
B6 B10 B12 B8 64.10(16) . . . . ?
B6 B10 B12 B9 101.50(13) . . . . ?
B6 B10 B12 B11 -36.86(12) . . . . ?
B6 B11 B12 B7 -101.23(13) . . . . ?
B6 B11 B12 B8 -64.16(16) . . . . ?
B6 B11 B12 B9 -0.28(17) . . . . ?
B6 B11 B12 B10 37.14(12) . . . . ?
B6' C1' C2' Ru1 151.01(9) . . . . ?
B6' C1' C2' B3' -144.77(11) . . . . ?
B6' C1' C2' B7' -104.88(12) . . . . ?
B6' C1' C2' B11' -39.85(10) . . . . ?
B6' C1' B3' Ru1 86.98(10) . . . . ?
B6' C1' B3' C2' 32.74(10) . . . . ?
B6' C1' B3' B4' -109.54(12) . . . . ?
B6' C1' B3' B7' -6.28(14) . . . . ?
B6' C1' B3' B8' -70.48(14) . . . . ?
B6' C1' B4' B3' 101.35(13) . . . . ?
B6' C1' B4' B5' -38.54(11) . . . . ?
B6' C1' B4' B8' 63.54(14) . . . . ?
B6' C1' B4' B9' 1.23(15) . . . . ?
B6' C1' B5' B4' 141.71(12) . . . . ?
B6' C1' B5' B9' 102.02(12) . . . . ?
B6' C1' B5' B10' 39.30(11) . . . . ?
B6' C2' B3' Ru1 -146.32(11) . . . . ?
B6' C2' B3' C1' -32.59(11) . . . . ?
B6' C2' B3' B4' 1.16(16) . . . . ?
B6' C2' B3' B7' 103.95(12) . . . . ?
B6' C2' B3' B8' 66.21(14) . . . . ?
B6' C2' B7' B3' -103.92(12) . . . . ?
B6' C2' B7' B8' -67.55(15) . . . . ?
B6' C2' B7' B11' 36.63(11) . . . . ?
B6' C2' B7' B12' -3.46(16) . . . . ?
B6' C2' B11' B7' -141.11(11) . . . . ?
B6' C2' B11' B10' -39.79(11) . . . . ?
B6' C2' B11' B12' -102.28(12) . . . . ?
B6' B5' B9' B4' 100.88(11) . . . . ?
B6' B5' B9' B8' 63.17(15) . . . . ?
B6' B5' B9' B10' -37.48(10) . . . . ?
B6' B5' B9' B12' -1.25(16) . . . . ?
B6' B5' B10' B9' 137.63(11) . . . . ?
B6' B5' B10' B11' 37.50(11) . . . . ?
B6' B5' B10' B12' 101.60(12) . . . . ?
B6' B10' B11' C2' 39.55(10) . . . . ?
B6' B10' B11' B7' 102.10(12) . . . . ?
B6' B10' B11' B12' 139.23(13) . . . . ?
B6' B10' B12' B7' 0.33(17) . . . . ?
B6' B10' B12' B8' 63.37(14) . . . . ?
B6' B10' B12' B9' 100.93(12) . . . . ?
B6' B10' B12' B11' -36.51(11) . . . . ?
B6' B11' B12' B7' -101.44(12) . . . . ?
B6' B11' B12' B8' -64.38(14) . . . . ?
B6' B11' B12' B9' -1.46(16) . . . . ?
B6' B11' B12' B10' 36.56(11) . . . . ?
B7' C2' B3' Ru1 109.73(8) . . . . ?
B7' C2' B3' C1' -136.54(11) . . . . ?
B7' C2' B3' B4' -102.79(13) . . . . ?
B7' C2' B3' B8' -37.74(11) . . . . ?
B7' C2' B6' C1' 100.06(12) . . . . ?
B7' C2' B6' B5' 65.52(14) . . . . ?
B7' C2' B6' B10' 3.60(14) . . . . ?
B7' C2' B6' B11' -36.36(11) . . . . ?
B7' C2' B11' B6' 141.11(11) . . . . ?
B7' C2' B11' B10' 101.33(12) . . . . ?
B7' C2' B11' B12' 38.83(10) . . . . ?
B7' B3' B4' C1' -99.15(12) . . . . ?
B7' B3' B4' B5' -64.98(14) . . . . ?
B7' B3' B4' B8' 37.24(12) . . . . ?
B7' B3' B4' B9' -2.51(15) . . . . ?
B7' B3' B8' B4' -139.49(12) . . . . ?
B7' B3' B8' B9' -100.08(14) . . . . ?
B7' B3' B8' B12' -37.90(11) . . . . ?
B7' B8' B9' B4' -101.72(13) . . . . ?
B7' B8' B9' B5' -63.91(16) . . . . ?
B7' B8' B9' B10' -0.55(17) . . . . ?
B7' B8' B9' B12' 37.27(12) . . . . ?
B7' B8' B12' B9' -137.34(12) . . . . ?
B7' B8' B12' B10' -99.56(12) . . . . ?
B7' B8' B12' B11' -36.69(11) . . . . ?
B7' B11' B12' B8' 37.06(12) . . . . ?
B7' B11' B12' B9' 99.99(14) . . . . ?
B7' B11' B12' B10' 138.01(13) . . . . ?
B7 C2 B3 C1 -135.62(11) . . . . ?
B7 C2 B3 B4 -101.83(12) . . . . ?
B7 C2 B3 B8 -38.05(11) . . . . ?
B7 C2 B6 C1 97.80(12) . . . . ?
B7 C2 B6 B5 64.20(15) . . . . ?
B7 C2 B6 B10 0.93(15) . . . . ?
B7 C2 B6 B11 -37.66(12) . . . . ?
B7 C2 B11 B6 139.09(13) . . . . ?
B7 C2 B11 B10 101.02(16) . . . . ?
B7 C2 B11 B12 38.00(12) . . . . ?
B7 B3 B4 C1 -96.73(12) . . . . ?
B7 B3 B4 B5 -62.98(15) . . . . ?
B7 B3 B4 B8 38.04(12) . . . . ?
B7 B3 B4 B9 0.20(17) . . . . ?
B7 B3 B8 B4 -138.28(13) . . . . ?
B7 B3 B8 B9 -100.68(14) . . . . ?
B7 B3 B8 B12 -37.39(12) . . . . ?
B7 B8 B9 B4 -100.51(13) . . . . ?
B7 B8 B9 B5 -62.77(15) . . . . ?
B7 B8 B9 B10 0.49(17) . . . . ?
B7 B8 B9 B12 37.44(13) . . . . ?
B7 B8 B12 B9 -138.01(14) . . . . ?
B7 B8 B12 B10 -100.67(15) . . . . ?
B7 B8 B12 B11 -36.71(12) . . . . ?
B7 B11 B12 B8 37.06(12) . . . . ?
B7 B11 B12 B9 100.95(14) . . . . ?
B7 B11 B12 B10 138.37(13) . . . . ?
B8' B3' B4' C1' -136.38(13) . . . . ?
B8' B3' B4' B5' -102.22(13) . . . . ?
B8' B3' B4' B9' -39.75(12) . . . . ?
B8' B3' B7' C2' 138.71(12) . . . . ?
B8' B3' B7' B11' 104.06(12) . . . . ?
B8' B3' B7' B12' 39.36(12) . . . . ?
B8' B4' B5' C1' -96.68(12) . . . . ?
B8' B4' B5' B6' -62.80(14) . . . . ?
B8' B4' B5' B9' 37.41(11) . . . . ?
B8' B4' B5' B10' -0.02(14) . . . . ?
B8' B4' B9' B5' -138.29(12) . . . . ?
B8' B4' B9' B10' -101.11(12) . . . . ?
B8' B4' B9' B12' -37.28(12) . . . . ?
B8' B7' B11' C2' 97.17(13) . . . . ?
B8' B7' B11' B6' 62.34(15) . . . . ?
B8' B7' B11' B10' -1.04(16) . . . . ?
B8' B7' B11' B12' -38.38(12) . . . . ?
B8' B7' B12' B9' 37.81(12) . . . . ?
B8' B7' B12' B10' 101.16(13) . . . . ?
B8' B7' B12' B11' 138.27(12) . . . . ?
B8' B9' B10' B5' -101.65(13) . . . . ?
B8' B9' B10' B6' -63.19(15) . . . . ?
B8' B9' B10' B11' -0.07(16) . . . . ?
B8' B9' B10' B12' 38.07(12) . . . . ?
B8' B9' B12' B7' -37.87(12) . . . . ?
B8' B9' B12' B10' -137.80(12) . . . . ?
B8' B9' B12' B11' -100.05(13) . . . . ?
B8 B3 B4 C1 -134.77(12) . . . . ?
B8 B3 B4 B5 -101.02(13) . . . . ?
B8 B3 B4 B9 -37.84(13) . . . . ?
B8 B3 B7 C2 137.85(12) . . . . ?
B8 B3 B7 B11 100.93(14) . . . . ?
B8 B3 B7 B12 37.40(13) . . . . ?
B8 B4 B5 C1 -96.33(12) . . . . ?
B8 B4 B5 B6 -62.40(15) . . . . ?
B8 B4 B5 B9 37.84(12) . . . . ?
B8 B4 B5 B10 0.24(16) . . . . ?
B8 B4 B9 B5 -137.82(13) . . . . ?
B8 B4 B9 B10 -100.42(14) . . . . ?
B8 B4 B9 B12 -37.34(14) . . . . ?
B8 B7 B11 C2 100.53(12) . . . . ?
B8 B7 B11 B6 63.63(16) . . . . ?
B8 B7 B11 B10 0.42(17) . . . . ?
B8 B7 B11 B12 -36.79(12) . . . . ?
B8 B7 B12 B9 37.76(14) . . . . ?
B8 B7 B12 B10 101.44(14) . . . . ?
B8 B7 B12 B11 138.82(13) . . . . ?
B8 B9 B10 B5 -100.96(13) . . . . ?
B8 B9 B10 B6 -62.97(16) . . . . ?
B8 B9 B10 B11 -0.23(18) . . . . ?
B8 B9 B10 B12 36.91(12) . . . . ?
B8 B9 B12 B7 -37.80(13) . . . . ?
B8 B9 B12 B10 -138.44(14) . . . . ?
B8 B9 B12 B11 -100.94(14) . . . . ?
B9' B4' B5' C1' -134.08(12) . . . . ?
B9' B4' B5' B6' -100.21(12) . . . . ?
B9' B4' B5' B10' -37.43(11) . . . . ?
B9' B4' B8' B3' 134.76(12) . . . . ?
B9' B4' B8' B7' 98.74(14) . . . . ?
B9' B4' B8' B12' 36.44(11) . . . . ?
B9' B5' B6' C1' -96.64(12) . . . . ?
B9' B5' B6' C2' -61.14(13) . . . . ?
B9' B5' B6' B10' 37.97(11) . . . . ?
B9' B5' B6' B11' 0.34(14) . . . . ?
B9' B5' B10' B6' -137.63(11) . . . . ?
B9' B5' B10' B11' -100.13(13) . . . . ?
B9' B5' B10' B12' -36.03(11) . . . . ?
B9' B8' B12' B7' 137.34(12) . . . . ?
B9' B8' B12' B10' 37.78(11) . . . . ?
B9' B8' B12' B11' 100.65(13) . . . . ?
B9' B10' B11' C2' -61.88(14) . . . . ?
B9' B10' B11' B6' -101.43(12) . . . . ?
B9' B10' B11' B7' 0.67(15) . . . . ?
B9' B10' B11' B12' 37.80(12) . . . . ?
B9' B10' B12' B7' -100.60(14) . . . . ?
B9' B10' B12' B8' -37.55(11) . . . . ?
B9' B10' B12' B11' -137.44(12) . . . . ?
B9 B4 B5 C1 -134.16(12) . . . . ?
B9 B4 B5 B6 -100.24(13) . . . . ?
B9 B4 B5 B10 -37.59(12) . . . . ?
B9 B4 B8 B3 137.62(14) . . . . ?
B9 B4 B8 B7 100.71(15) . . . . ?
B9 B4 B8 B12 37.52(13) . . . . ?
B9 B5 B6 C1 -96.99(13) . . . . ?
B9 B5 B6 C2 -62.93(15) . . . . ?
B9 B5 B6 B10 37.62(12) . . . . ?
B9 B5 B6 B11 -0.43(16) . . . . ?
B9 B5 B10 B6 -137.90(13) . . . . ?
B9 B5 B10 B11 -100.81(16) . . . . ?
B9 B5 B10 B12 -37.64(13) . . . . ?
B9 B8 B12 B7 138.01(14) . . . . ?
B9 B8 B12 B10 37.34(13) . . . . ?
B9 B8 B12 B11 101.30(15) . . . . ?
B9 B10 B11 C2 -62.49(18) . . . . ?
B9 B10 B11 B6 -100.95(14) . . . . ?
B9 B10 B11 B7 -0.12(18) . . . . ?
B9 B10 B11 B12 37.29(13) . . . . ?
B9 B10 B12 B7 -101.32(14) . . . . ?
B9 B10 B12 B8 -37.40(12) . . . . ?
B9 B10 B12 B11 -138.36(13) . . . . ?
B10' B5' B6' C1' -134.61(12) . . . . ?
B10' B5' B6' C2' -99.11(12) . . . . ?
B10' B5' B6' B11' -37.63(11) . . . . ?
B10' B5' B9' B4' 138.36(11) . . . . ?
B10' B5' B9' B8' 100.65(13) . . . . ?
B10' B5' B9' B12' 36.24(12) . . . . ?
B10' B6' B11' C2' -134.57(12) . . . . ?
B10' B6' B11' B7' -99.62(12) . . . . ?
B10' B6' B11' B12' -36.55(11) . . . . ?
B10' B9' B12' B7' 99.93(13) . . . . ?
B10' B9' B12' B8' 137.80(12) . . . . ?
B10' B9' B12' B11' 37.75(11) . . . . ?
B10' B11' B12' B7' -138.01(13) . . . . ?
B10' B11' B12' B8' -100.94(13) . . . . ?
B10' B11' B12' B9' -38.02(12) . . . . ?
B10 B5 B6 C1 -134.60(14) . . . . ?
B10 B5 B6 C2 -100.55(14) . . . . ?
B10 B5 B6 B11 -38.05(12) . . . . ?
B10 B5 B9 B4 138.11(12) . . . . ?
B10 B5 B9 B8 100.37(14) . . . . ?
B10 B5 B9 B12 37.42(12) . . . . ?
B10 B6 B11 C2 -137.14(14) . . . . ?
B10 B6 B11 B7 -100.91(15) . . . . ?
B10 B6 B11 B12 -37.20(13) . . . . ?
B10 B9 B12 B7 100.65(16) . . . . ?
B10 B9 B12 B8 138.44(14) . . . . ?
B10 B9 B12 B11 37.51(13) . . . . ?
B10 B11 B12 B7 -138.37(13) . . . . ?
B10 B11 B12 B8 -101.30(14) . . . . ?
B10 B11 B12 B9 -37.42(12) . . . . ?
B11 C2 B3 C1 -97.51(11) . . . . ?
B11 C2 B3 B4 -63.72(14) . . . . ?
B11 C2 B3 B7 38.11(11) . . . . ?
B11 C2 B3 B8 0.06(15) . . . . ?
B11 C2 B6 C1 135.47(13) . . . . ?
B11 C2 B6 B5 101.87(15) . . . . ?
B11 C2 B6 B10 38.59(12) . . . . ?
B11 C2 B7 B3 -138.59(12) . . . . ?
B11 C2 B7 B8 -101.05(13) . . . . ?
B11 C2 B7 B12 -38.02(12) . . . . ?
B11 B6 B10 B5 138.15(14) . . . . ?
B11 B6 B10 B9 100.54(15) . . . . ?
B11 B6 B10 B12 37.08(12) . . . . ?
B11 B7 B8 B3 -100.90(13) . . . . ?
B11 B7 B8 B4 -63.49(15) . . . . ?
B11 B7 B8 B9 -0.57(16) . . . . ?
B11 B7 B8 B12 36.97(13) . . . . ?
B11 B7 B12 B8 -138.82(13) . . . . ?
B11 B7 B12 B9 -101.06(16) . . . . ?
B11 B7 B12 B10 -37.38(13) . . . . ?
B11 B10 B12 B7 37.04(12) . . . . ?
B11 B10 B12 B8 100.96(13) . . . . ?
B11 B10 B12 B9 138.36(13) . . . . ?
B11' C2' B3' Ru1 146.51(10) . . . . ?
B11' C2' B3' C1' -99.77(11) . . . . ?
B11' C2' B3' B4' -66.01(15) . . . . ?
B11' C2' B3' B7' 36.78(11) . . . . ?
B11' C2' B3' B8' -0.97(15) . . . . ?
B11' C2' B6' C1' 136.43(11) . . . . ?
B11' C2' B6' B5' 101.88(12) . . . . ?
B11' C2' B6' B10' 39.96(10) . . . . ?
B11' C2' B7' B3' -140.55(11) . . . . ?
B11' C2' B7' B8' -104.18(13) . . . . ?
B11' C2' B7' B12' -40.09(12) . . . . ?
B11' B6' B10' B5' 138.04(12) . . . . ?
B11' B6' B10' B9' 100.15(13) . . . . ?
B11' B6' B10' B12' 36.83(11) . . . . ?
B11' B7' B8' B3' -97.82(13) . . . . ?
B11' B7' B8' B4' -61.50(16) . . . . ?
B11' B7' B8' B9' 0.99(17) . . . . ?
B11' B7' B8' B12' 38.55(12) . . . . ?
B11' B7' B12' B8' -138.27(12) . . . . ?
B11' B7' B12' B9' -100.46(13) . . . . ?
B11' B7' B12' B10' -37.11(12) . . . . ?
B11' B10' B12' B7' 36.84(11) . . . . ?
B11' B10' B12' B8' 99.88(12) . . . . ?
B11' B10' B12' B9' 137.44(12) . . . . ?
B12 B7 B8 B3 -137.87(14) . . . . ?
B12 B7 B8 B4 -100.46(14) . . . . ?
B12 B7 B8 B9 -37.54(13) . . . . ?
B12 B7 B11 C2 137.33(12) . . . . ?
B12 B7 B11 B6 100.43(14) . . . . ?
B12 B7 B11 B10 37.22(13) . . . . ?
B12 B8 B9 B4 -137.95(14) . . . . ?
B12 B8 B9 B5 -100.21(15) . . . . ?
B12 B8 B9 B10 -36.95(13) . . . . ?
B12 B9 B10 B5 -137.88(13) . . . . ?
B12 B9 B10 B6 -99.88(13) . . . . ?
B12 B9 B10 B11 -37.14(12) . . . . ?
B12 B10 B11 C2 -99.77(14) . . . . ?
B12 B10 B11 B6 -138.23(13) . . . . ?
B12 B10 B11 B7 -37.40(12) . . . . ?
B12' B7' B8' B3' -136.37(12) . . . . ?
B12' B7' B8' B4' -100.05(13) . . . . ?
B12' B7' B8' B9' -37.56(12) . . . . ?
B12' B7' B11' C2' 135.55(12) . . . . ?
B12' B7' B11' B6' 100.73(13) . . . . ?
B12' B7' B11' B10' 37.34(11) . . . . ?
B12' B8' B9' B4' -138.99(12) . . . . ?
B12' B8' B9' B5' -101.18(13) . . . . ?
B12' B8' B9' B10' -37.82(11) . . . . ?
B12' B9' B10' B5' -139.72(12) . . . . ?
B12' B9' B10' B6' -101.26(12) . . . . ?
B12' B9' B10' B11' -38.14(11) . . . . ?
B12' B10' B11' C2' -99.68(13) . . . . ?
B12' B10' B11' B6' -139.23(13) . . . . ?
B12' B10' B11' B7' -37.13(12) . . . . ?
C100 P1 C101 C102 167.42(11) . . . . ?
C100 P1 C101 C106 -11.96(13) . . . . ?
C100 P1 C111 C112 173.22(11) . . . . ?
C100 P1 C111 C116 -9.18(13) . . . . ?
C101 P1 C111 C112 -79.37(12) . . . . ?
C101 P1 C111 C116 98.23(12) . . . . ?
C101 C102 C103 C104 -0.4(2) . . . . ?
C102 C101 C106 C105 -1.0(2) . . . . ?
C102 C103 C104 C105 -0.5(2) . . . . ?
C103 C104 C105 C106 0.6(3) . . . . ?
C104 C105 C106 C101 0.2(2) . . . . ?
C106 C101 C102 C103 1.1(2) . . . . ?
C111 P1 C101 C102 60.17(12) . . . . ?
C111 P1 C101 C106 -119.22(12) . . . . ?
C111 C112 C113 C114 1.1(2) . . . . ?
C112 C111 C116 C115 1.1(2) . . . . ?
C112 C113 C114 C115 0.4(2) . . . . ?
C113 C114 C115 C116 -1.1(2) . . . . ?
C114 C115 C116 C111 0.4(2) . . . . ?
C116 C111 C112 C113 -1.8(2) . . . . ?
C200 P2 C211 C212 -171.52(13) . . . . ?
C200 P2 C211 C216 8.11(17) . . . . ?
C200 P2 C211 C23A 41.4(9) . . . . ?
C200 P2 C3 C4 -179.0(12) . . . . ?
C200 P2 C3 C8 -6.0(19) . . . . ?
C201 P2 C211 C212 -59.4(4) . . . . ?
C201 P2 C211 C216 120.2(5) . . . . ?
C201 C202 C203 C204 -0.4(15) . . . . ?
C202 C201 C206 C205 1.6(17) . . . . ?
C202 C203 C204 C205 1.5(17) . . . . ?
C203 C204 C205 C206 -1.0(17) . . . . ?
C204 C205 C206 C201 -0.6(17) . . . . ?
C206 C201 C202 C203 -1.1(16) . . . . ?
C211 P2 C3 C4 76.1(13) . . . . ?
C211 P2 C3 C8 -111.0(18) . . . . ?
C211 C212 C213 C214 -1.6(2) . . . . ?
C211 C212 C213 C21A 24.0(10) . . . . ?
C212 C211 C216 C215 -3.0(3) . . . . ?
C212 C211 C23A C22A 18.9(19) . . . . ?
C212 C213 C214 C215 -0.4(3) . . . . ?
C212 C213 C21A C22A -9.5(19) . . . . ?
C213 C214 C215 C216 0.7(3) . . . . ?
C213 C21A C22A C23A 1(3) . . . . ?
C214 C215 C216 C211 1.1(3) . . . . ?
C216 C211 C212 C213 3.3(2) . . . . ?
C21A C22A C23A C211 -7(3) . . . . ?
C23A C211 C212 C213 -27.4(9) . . . . ?
C3 P2 C211 C212 -70.2(7) . . . . ?
C3 P2 C211 C23A 142.8(12) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C4 C3 C8 C7 0(2) . . . . ?
C4 C5 C6 C7 1(2) . . . . ?
C5 C6 C7 C8 1(2) . . . . ?
C6 C7 C8 C3 -1(2) . . . . ?
C8 C3 C4 C5 1(2) . . . . ?
