# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_5038
_database_code_depnum_ccdc_archive 'CCDC 1492391'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2015-08-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H45 B19 Ni P2'
_chemical_formula_sum            'C34.75 H54.75 B19 Ni O P2'
_chemical_formula_weight         814.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.9009(8)
_cell_length_b                   15.8294(8)
_cell_length_c                   18.1091(8)
_cell_angle_alpha                90
_cell_angle_beta                 109.606(2)
_cell_angle_gamma                90
_cell_volume                     4293.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7988
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.967
_shelx_estimated_absorpt_T_min   0.760
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1015 before and 0.0770 after correction.
The Ratio of minimum to maximum transmission is 0.7343.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1697
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0994
_diffrn_reflns_av_unetI/netI     0.0743
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            71344
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.077
_diffrn_reflns_theta_min         2.388
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7019
_reflns_number_total             10294
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.373
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10294
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      0.969
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0519P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1055
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C113(H11A,H11B), C213(H21A,H21B)
2.b Aromatic/amide H refined with riding coordinates:
 C102(H102), C103(H103), C104(H104), C105(H105), C106(H106), C108(H108),
 C109(H109), C110(H110), C111(H111), C112(H112), C202(H202), C203(H203),
 C204(H204), C205(H205), C206(H206), C208(H208), C209(H209), C210(H210),
 C211(H211), C212(H212)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.44311(13) 0.72503(13) 0.55589(12) 0.0142(4) Uani 1 1 d . . . . .
P1 P 0.18962(3) 0.64686(3) 0.51994(3) 0.01345(12) Uani 1 1 d . . . . .
C2 C 0.41486(13) 0.81319(14) 0.58289(12) 0.0155(4) Uani 1 1 d . . . . .
H2 H 0.4017(14) 0.8601(14) 0.5439(12) 0.019 Uiso 1 1 d R . . . .
P2 P 0.20068(3) 0.83637(3) 0.51030(3) 0.01266(12) Uani 1 1 d . . . . .
Ni3 Ni 0.29976(2) 0.73797(2) 0.56352(2) 0.01206(8) Uani 1 1 d . . . . .
B4 B 0.40678(15) 0.65061(16) 0.60687(13) 0.0137(5) Uani 1 1 d . . . . .
H4 H 0.3949(13) 0.5892(14) 0.5864(11) 0.016 Uiso 1 1 d R . . . .
B5 B 0.52455(16) 0.67753(16) 0.62992(14) 0.0168(5) Uani 1 1 d . . . . .
H5 H 0.5677(14) 0.6363(14) 0.6148(12) 0.020 Uiso 1 1 d R . . . .
B6 B 0.52918(16) 0.78639(17) 0.61261(14) 0.0179(5) Uani 1 1 d . . . . .
H6 H 0.5704(14) 0.8165(14) 0.5824(12) 0.021 Uiso 1 1 d R . . . .
B7 B 0.37230(15) 0.81105(17) 0.66032(14) 0.0167(5) Uani 1 1 d . . . . .
H7 H 0.3332(14) 0.8682(14) 0.6679(12) 0.020 Uiso 1 1 d R . . . .
B8 B 0.36943(16) 0.70297(16) 0.68166(14) 0.0169(5) Uani 1 1 d . . . . .
H8 H 0.3265(14) 0.6730(14) 0.7111(12) 0.020 Uiso 1 1 d R . . . .
B9 B 0.47983(16) 0.66400(17) 0.70730(14) 0.0183(5) Uani 1 1 d . . . . .
H9 H 0.5010(14) 0.6068(14) 0.7458(12) 0.022 Uiso 1 1 d R . . . .
B10 B 0.55419(17) 0.75048(16) 0.70892(14) 0.0180(5) Uani 1 1 d . . . . .
H10 H 0.6235(15) 0.7551(13) 0.7493(13) 0.022 Uiso 1 1 d R . . . .
B11 B 0.48405(16) 0.84149(17) 0.67533(14) 0.0182(5) Uani 1 1 d . . . . .
H11 H 0.5028(14) 0.9141(14) 0.6874(12) 0.022 Uiso 1 1 d R . . . .
B12 B 0.46048(16) 0.76657(17) 0.73867(14) 0.0190(5) Uani 1 1 d . . . . .
H12 H 0.4689(14) 0.7839(14) 0.7974(13) 0.023 Uiso 1 1 d R . . . .
C101 C 0.15576(14) 0.58311(14) 0.58935(12) 0.0177(4) Uani 1 1 d . . . . .
C102 C 0.06533(14) 0.57409(15) 0.57883(13) 0.0234(5) Uani 1 1 d . . . . .
H102 H 0.0221 0.6013 0.5359 0.028 Uiso 1 1 calc R . . . .
C103 C 0.03774(16) 0.52571(16) 0.63043(14) 0.0311(6) Uani 1 1 d . . . . .
H103 H -0.0241 0.5207 0.6232 0.037 Uiso 1 1 calc R . . . .
C104 C 0.09992(16) 0.48478(17) 0.69228(14) 0.0337(6) Uani 1 1 d . . . . .
H104 H 0.0809 0.4522 0.7279 0.040 Uiso 1 1 calc R . . . .
C105 C 0.18991(16) 0.49131(16) 0.70237(14) 0.0301(6) Uani 1 1 d . . . . .
H105 H 0.2326 0.4622 0.7443 0.036 Uiso 1 1 calc R . . . .
C106 C 0.21808(15) 0.54038(14) 0.65132(12) 0.0217(5) Uani 1 1 d . . . . .
H106 H 0.2799 0.5448 0.6586 0.026 Uiso 1 1 calc R . . . .
C107 C 0.20019(13) 0.56822(13) 0.44963(12) 0.0159(4) Uani 1 1 d . . . . .
C108 C 0.24891(14) 0.49454(14) 0.47650(13) 0.0196(5) Uani 1 1 d . . . . .
H108 H 0.2718 0.4832 0.5311 0.024 Uiso 1 1 calc R . . . .
C109 C 0.26421(15) 0.43753(15) 0.42400(14) 0.0242(5) Uani 1 1 d . . . . .
H109 H 0.2979 0.3877 0.4428 0.029 Uiso 1 1 calc R . . . .
C110 C 0.23026(14) 0.45354(15) 0.34409(14) 0.0260(5) Uani 1 1 d . . . . .
H110 H 0.2417 0.4153 0.3081 0.031 Uiso 1 1 calc R . . . .
C111 C 0.17986(14) 0.52515(15) 0.31701(13) 0.0221(5) Uani 1 1 d . . . . .
H111 H 0.1550 0.5351 0.2622 0.026 Uiso 1 1 calc R . . . .
C112 C 0.16524(13) 0.58258(14) 0.36900(12) 0.0175(4) Uani 1 1 d . . . . .
H112 H 0.1312 0.6321 0.3497 0.021 Uiso 1 1 calc R . . . .
C113 C 0.08710(13) 0.70645(13) 0.46768(12) 0.0151(4) Uani 1 1 d . . . . .
H11A H 0.0472 0.6710 0.4253 0.018 Uiso 1 1 calc R . . . .
H11B H 0.0552 0.7205 0.5046 0.018 Uiso 1 1 calc R . . . .
C201 C 0.14966(13) 0.87635(13) 0.57997(12) 0.0152(4) Uani 1 1 d . . . . .
C202 C 0.15125(13) 0.82698(14) 0.64461(12) 0.0183(5) Uani 1 1 d . . . . .
H202 H 0.1796 0.7733 0.6523 0.022 Uiso 1 1 calc R . . . .
C203 C 0.11186(14) 0.85585(15) 0.69721(13) 0.0229(5) Uani 1 1 d . . . . .
H203 H 0.1119 0.8214 0.7402 0.027 Uiso 1 1 calc R . . . .
C204 C 0.07227(14) 0.93507(15) 0.68749(13) 0.0231(5) Uani 1 1 d . . . . .
H204 H 0.0462 0.9552 0.7243 0.028 Uiso 1 1 calc R . . . .
C205 C 0.07081(14) 0.98448(14) 0.62440(13) 0.0229(5) Uani 1 1 d . . . . .
H205 H 0.0435 1.0386 0.6179 0.027 Uiso 1 1 calc R . . . .
C206 C 0.10884(13) 0.95588(14) 0.57006(12) 0.0185(5) Uani 1 1 d . . . . .
H206 H 0.1071 0.9901 0.5265 0.022 Uiso 1 1 calc R . . . .
C207 C 0.23025(13) 0.93031(13) 0.46722(12) 0.0159(4) Uani 1 1 d . . . . .
C208 C 0.28855(14) 0.99021(14) 0.51515(13) 0.0191(5) Uani 1 1 d . . . . .
H208 H 0.3124 0.9812 0.5701 0.023 Uiso 1 1 calc R . . . .
C209 C 0.31152(15) 1.06221(15) 0.48299(13) 0.0257(5) Uani 1 1 d . . . . .
H209 H 0.3511 1.1024 0.5157 0.031 Uiso 1 1 calc R . . . .
C210 C 0.27620(15) 1.07548(16) 0.40216(14) 0.0294(6) Uani 1 1 d . . . . .
H210 H 0.2915 1.1251 0.3800 0.035 Uiso 1 1 calc R . . . .
C211 C 0.21924(15) 1.01694(15) 0.35429(14) 0.0273(5) Uani 1 1 d . . . . .
H211 H 0.1954 1.0263 0.2994 0.033 Uiso 1 1 calc R . . . .
C212 C 0.19673(14) 0.94429(15) 0.38640(12) 0.0201(5) Uani 1 1 d . . . . .
H212 H 0.1582 0.9037 0.3531 0.024 Uiso 1 1 calc R . . . .
C213 C 0.10933(13) 0.78737(13) 0.43278(12) 0.0156(4) Uani 1 1 d . . . . .
H21A H 0.0569 0.8254 0.4159 0.019 Uiso 1 1 calc R . . . .
H21B H 0.1277 0.7745 0.3869 0.019 Uiso 1 1 calc R . . . .
C1' C 0.44687(13) 0.71599(13) 0.47269(12) 0.0148(4) Uani 1 1 d . . . . .
C2' C 0.37894(14) 0.64909(14) 0.41138(12) 0.0165(4) Uani 1 1 d . . . . .
H2' H 0.3424(14) 0.6201(14) 0.4304(12) 0.020 Uiso 1 1 d R . . . .
B3' B 0.35739(16) 0.75483(16) 0.39524(14) 0.0177(5) Uani 1 1 d . . . . .
H3' H 0.3040(15) 0.7781(14) 0.4103(12) 0.021 Uiso 1 1 d R . . . .
B4' B 0.46504(16) 0.80163(17) 0.42036(14) 0.0178(5) Uani 1 1 d . . . . .
H4' H 0.4724(14) 0.8653(15) 0.4481(12) 0.021 Uiso 1 1 d R . . . .
B5' B 0.54608(16) 0.71926(16) 0.45304(14) 0.0165(5) Uani 1 1 d . . . . .
H5' H 0.6029(15) 0.7292(14) 0.4998(13) 0.020 Uiso 1 1 d R . . . .
B6' B 0.48914(16) 0.62186(17) 0.44956(14) 0.0176(5) Uani 1 1 d . . . . .
H6' H 0.5079(14) 0.5727(14) 0.4938(12) 0.021 Uiso 1 1 d R . . . .
B7' B 0.34465(17) 0.68285(18) 0.31649(14) 0.0211(6) Uani 1 1 d . . . . .
H7' H 0.2744(15) 0.6680(14) 0.2795(12) 0.025 Uiso 1 1 d R . . . .
B8' B 0.40120(17) 0.78081(18) 0.32079(15) 0.0216(6) Uani 1 1 d . . . . .
H8' H 0.3696(14) 0.8292(15) 0.2801(13) 0.026 Uiso 1 1 d R . . . .
B9' B 0.51778(17) 0.75875(17) 0.35585(15) 0.0216(6) Uani 1 1 d . . . . .
H9' H 0.5704(15) 0.7958(15) 0.3376(13) 0.026 Uiso 1 1 d R . . . .
B10' B 0.53260(17) 0.64772(17) 0.37439(14) 0.0203(5) Uani 1 1 d . . . . .
H10' H 0.5921(14) 0.6084(14) 0.3710(12) 0.024 Uiso 1 1 d R . . . .
B11' B 0.42509(17) 0.60151(17) 0.34987(14) 0.0196(5) Uani 1 1 d . . . . .
H11' H 0.4072(14) 0.5351(15) 0.3325(12) 0.024 Uiso 1 1 d R . . . .
B12' B 0.44290(17) 0.68604(18) 0.29168(15) 0.0219(6) Uani 1 1 d . . . . .
H12' H 0.4332(14) 0.6749(14) 0.2280(13) 0.026 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.592(3) . ?
C1 Ni3 2.338(2) . ?
C1 B4 1.712(3) . ?
C1 B5 1.695(3) . ?
C1 B6 1.711(3) . ?
C1 C1' 1.534(3) . ?
P1 Ni3 2.2005(6) . ?
P1 C101 1.828(2) . ?
P1 C107 1.828(2) . ?
P1 C113 1.846(2) . ?
C2 H2 1.00(2) . ?
C2 Ni3 2.112(2) . ?
C2 B6 1.766(3) . ?
C2 B7 1.750(3) . ?
C2 B11 1.726(3) . ?
P2 Ni3 2.1951(6) . ?
P2 C201 1.827(2) . ?
P2 C207 1.813(2) . ?
P2 C213 1.820(2) . ?
Ni3 B4 2.128(2) . ?
Ni3 B7 2.094(2) . ?
Ni3 B8 2.126(2) . ?
B4 H4 1.03(2) . ?
B4 B5 1.827(3) . ?
B4 B8 1.848(3) . ?
B4 B9 1.812(3) . ?
B5 H5 1.05(2) . ?
B5 B6 1.758(4) . ?
B5 B9 1.784(3) . ?
B5 B10 1.775(3) . ?
B6 H6 1.09(2) . ?
B6 B10 1.749(4) . ?
B6 B11 1.764(3) . ?
B7 H7 1.13(2) . ?
B7 B8 1.758(4) . ?
B7 B11 1.772(3) . ?
B7 B12 1.772(3) . ?
B8 H8 1.10(2) . ?
B8 B9 1.769(3) . ?
B8 B12 1.781(4) . ?
B9 H9 1.12(2) . ?
B9 B10 1.803(4) . ?
B9 B12 1.781(4) . ?
B10 H10 1.10(2) . ?
B10 B11 1.798(4) . ?
B10 B12 1.765(4) . ?
B11 H11 1.19(2) . ?
B11 B12 1.775(4) . ?
B12 H12 1.06(2) . ?
C101 C102 1.393(3) . ?
C101 C106 1.397(3) . ?
C102 H102 0.9500 . ?
C102 C103 1.388(3) . ?
C103 H103 0.9500 . ?
C103 C104 1.382(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.384(3) . ?
C105 H105 0.9500 . ?
C105 C106 1.392(3) . ?
C106 H106 0.9500 . ?
C107 C108 1.394(3) . ?
C107 C112 1.396(3) . ?
C108 H108 0.9500 . ?
C108 C109 1.390(3) . ?
C109 H109 0.9500 . ?
C109 C110 1.388(3) . ?
C110 H110 0.9500 . ?
C110 C111 1.380(3) . ?
C111 H111 0.9500 . ?
C111 C112 1.383(3) . ?
C112 H112 0.9500 . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C113 C213 1.522(3) . ?
C201 C202 1.401(3) . ?
C201 C206 1.400(3) . ?
C202 H202 0.9500 . ?
C202 C203 1.382(3) . ?
C203 H203 0.9500 . ?
C203 C204 1.388(3) . ?
C204 H204 0.9500 . ?
C204 C205 1.378(3) . ?
C205 H205 0.9500 . ?
C205 C206 1.392(3) . ?
C206 H206 0.9500 . ?
C207 C208 1.404(3) . ?
C207 C212 1.397(3) . ?
C208 H208 0.9500 . ?
C208 C209 1.384(3) . ?
C209 H209 0.9500 . ?
C209 C210 1.397(3) . ?
C210 H210 0.9500 . ?
C210 C211 1.380(3) . ?
C211 H211 0.9500 . ?
C211 C212 1.389(3) . ?
C212 H212 0.9500 . ?
C213 H21A 0.9900 . ?
C213 H21B 0.9900 . ?
C1' C2' 1.648(3) . ?
C1' B3' 1.741(3) . ?
C1' B4' 1.733(3) . ?
C1' B5' 1.731(3) . ?
C1' B6' 1.743(3) . ?
C2' H2' 0.90(2) . ?
C2' B3' 1.714(3) . ?
C2' B6' 1.709(3) . ?
C2' B7' 1.705(3) . ?
C2' B11' 1.702(3) . ?
B3' H3' 1.04(2) . ?
B3' B4' 1.779(3) . ?
B3' B7' 1.783(4) . ?
B3' B8' 1.761(3) . ?
B4' H4' 1.11(2) . ?
B4' B5' 1.789(4) . ?
B4' B8' 1.778(4) . ?
B4' B9' 1.785(3) . ?
B5' H5' 1.02(2) . ?
B5' B6' 1.778(4) . ?
B5' B9' 1.777(4) . ?
B5' B10' 1.775(4) . ?
B6' H6' 1.08(2) . ?
B6' B10' 1.769(3) . ?
B6' B11' 1.779(3) . ?
B7' H7' 1.12(2) . ?
B7' B8' 1.781(4) . ?
B7' B11' 1.772(4) . ?
B7' B12' 1.765(4) . ?
B8' H8' 1.06(2) . ?
B8' B9' 1.781(4) . ?
B8' B12' 1.790(4) . ?
B9' H9' 1.16(2) . ?
B9' B10' 1.790(4) . ?
B9' B12' 1.779(4) . ?
B10' H10' 1.15(2) . ?
B10' B11' 1.774(4) . ?
B10' B12' 1.792(4) . ?
B11' H11' 1.11(2) . ?
B11' B12' 1.784(4) . ?
B12' H12' 1.12(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ni3 61.58(9) . . ?
C2 C1 B4 104.86(15) . . ?
C2 C1 B5 111.42(16) . . ?
C2 C1 B6 64.50(13) . . ?
B4 C1 Ni3 61.09(10) . . ?
B5 C1 Ni3 119.55(13) . . ?
B5 C1 B4 64.84(13) . . ?
B5 C1 B6 62.11(14) . . ?
B6 C1 Ni3 120.93(13) . . ?
B6 C1 B4 114.43(16) . . ?
C1' C1 C2 119.41(17) . . ?
C1' C1 Ni3 115.22(13) . . ?
C1' C1 B4 126.62(17) . . ?
C1' C1 B5 117.64(16) . . ?
C1' C1 B6 110.82(16) . . ?
C101 P1 Ni3 119.84(7) . . ?
C101 P1 C107 102.72(10) . . ?
C101 P1 C113 102.79(9) . . ?
C107 P1 Ni3 116.62(6) . . ?
C107 P1 C113 105.23(9) . . ?
C113 P1 Ni3 107.98(7) . . ?
C1 C2 H2 116.6(12) . . ?
C1 C2 Ni3 76.88(11) . . ?
C1 C2 B6 61.01(13) . . ?
C1 C2 B7 116.99(17) . . ?
C1 C2 B11 111.82(17) . . ?
Ni3 C2 H2 109.8(12) . . ?
B6 C2 H2 110.1(12) . . ?
B6 C2 Ni3 131.41(15) . . ?
B7 C2 H2 122.5(12) . . ?
B7 C2 Ni3 64.88(10) . . ?
B7 C2 B6 112.74(16) . . ?
B11 C2 H2 114.1(12) . . ?
B11 C2 Ni3 122.85(14) . . ?
B11 C2 B6 60.70(13) . . ?
B11 C2 B7 61.30(13) . . ?
C201 P2 Ni3 111.24(7) . . ?
C207 P2 Ni3 121.29(7) . . ?
C207 P2 C201 104.63(10) . . ?
C207 P2 C213 105.82(9) . . ?
C213 P2 Ni3 107.80(7) . . ?
C213 P2 C201 104.82(9) . . ?
P1 Ni3 C1 126.56(5) . . ?
C2 Ni3 C1 41.54(7) . . ?
C2 Ni3 P1 165.97(6) . . ?
C2 Ni3 P2 97.30(6) . . ?
C2 Ni3 B4 76.34(9) . . ?
C2 Ni3 B8 81.37(9) . . ?
P2 Ni3 C1 127.33(5) . . ?
P2 Ni3 P1 86.57(2) . . ?
B4 Ni3 C1 44.77(8) . . ?
B4 Ni3 P1 98.52(7) . . ?
B4 Ni3 P2 172.07(6) . . ?
B7 Ni3 C1 79.85(8) . . ?
B7 Ni3 P1 144.19(7) . . ?
B7 Ni3 C2 49.17(8) . . ?
B7 Ni3 P2 95.05(7) . . ?
B7 Ni3 B4 84.40(10) . . ?
B7 Ni3 B8 49.23(10) . . ?
B8 Ni3 C1 81.23(8) . . ?
B8 Ni3 P1 105.87(7) . . ?
B8 Ni3 P2 132.97(7) . . ?
B8 Ni3 B4 51.49(9) . . ?
C1 B4 Ni3 74.14(11) . . ?
C1 B4 H4 120.5(11) . . ?
C1 B4 B5 57.14(12) . . ?
C1 B4 B8 109.64(17) . . ?
C1 B4 B9 104.01(16) . . ?
Ni3 B4 H4 116.8(11) . . ?
B5 B4 Ni3 124.35(15) . . ?
B5 B4 H4 110.6(11) . . ?
B5 B4 B8 106.54(16) . . ?
B8 B4 Ni3 64.21(10) . . ?
B8 B4 H4 128.2(11) . . ?
B9 B4 Ni3 117.26(14) . . ?
B9 B4 H4 116.6(11) . . ?
B9 B4 B5 58.72(13) . . ?
B9 B4 B8 57.81(13) . . ?
C1 B5 B4 58.02(12) . . ?
C1 B5 H5 117.6(11) . . ?
C1 B5 B6 59.38(13) . . ?
C1 B5 B9 105.92(16) . . ?
C1 B5 B10 105.94(17) . . ?
B4 B5 H5 120.4(12) . . ?
B6 B5 B4 106.80(17) . . ?
B6 B5 H5 119.6(12) . . ?
B6 B5 B9 108.02(17) . . ?
B6 B5 B10 59.34(14) . . ?
B9 B5 B4 60.23(13) . . ?
B9 B5 H5 126.8(12) . . ?
B10 B5 B4 108.10(17) . . ?
B10 B5 H5 126.5(12) . . ?
B10 B5 B9 60.86(14) . . ?
C1 B6 C2 54.49(12) . . ?
C1 B6 B5 58.50(13) . . ?
C1 B6 H6 116.1(11) . . ?
C1 B6 B10 106.41(17) . . ?
C1 B6 B11 104.52(16) . . ?
C2 B6 H6 118.1(11) . . ?
B5 B6 C2 100.92(16) . . ?
B5 B6 H6 125.8(12) . . ?
B5 B6 B11 108.63(18) . . ?
B10 B6 C2 104.39(16) . . ?
B10 B6 B5 60.82(14) . . ?
B10 B6 H6 131.8(11) . . ?
B10 B6 B11 61.58(14) . . ?
B11 B6 C2 58.53(13) . . ?
B11 B6 H6 123.2(12) . . ?
C2 B7 Ni3 65.95(10) . . ?
C2 B7 H7 117.2(11) . . ?
C2 B7 B8 103.92(17) . . ?
C2 B7 B11 58.68(13) . . ?
C2 B7 B12 103.56(16) . . ?
Ni3 B7 H7 111.9(11) . . ?
B8 B7 Ni3 66.34(11) . . ?
B8 B7 H7 134.1(11) . . ?
B8 B7 B11 109.25(17) . . ?
B8 B7 B12 60.61(14) . . ?
B11 B7 Ni3 121.41(14) . . ?
B11 B7 H7 109.1(11) . . ?
B11 B7 B12 60.12(14) . . ?
B12 B7 Ni3 121.10(16) . . ?
B12 B7 H7 122.7(11) . . ?
Ni3 B8 H8 113.6(11) . . ?
B4 B8 Ni3 64.31(10) . . ?
B4 B8 H8 124.4(11) . . ?
B7 B8 Ni3 64.43(11) . . ?
B7 B8 B4 103.71(16) . . ?
B7 B8 H8 126.1(11) . . ?
B7 B8 B9 107.48(17) . . ?
B7 B8 B12 60.09(14) . . ?
B9 B8 Ni3 119.41(14) . . ?
B9 B8 B4 60.09(13) . . ?
B9 B8 H8 116.3(11) . . ?
B9 B8 B12 60.20(14) . . ?
B12 B8 Ni3 118.93(15) . . ?
B12 B8 B4 106.25(16) . . ?
B12 B8 H8 118.5(11) . . ?
B4 B9 H9 119.1(11) . . ?
B5 B9 B4 61.05(13) . . ?
B5 B9 H9 117.9(11) . . ?
B5 B9 B10 59.31(14) . . ?
B8 B9 B4 62.10(13) . . ?
B8 B9 B5 111.95(17) . . ?
B8 B9 H9 120.6(11) . . ?
B8 B9 B10 109.09(18) . . ?
B8 B9 B12 60.23(14) . . ?
B10 B9 B4 107.53(17) . . ?
B10 B9 H9 122.9(11) . . ?
B12 B9 B4 107.80(17) . . ?
B12 B9 B5 107.35(18) . . ?
B12 B9 H9 125.8(11) . . ?
B12 B9 B10 59.00(14) . . ?
B5 B10 B9 59.83(14) . . ?
B5 B10 H10 120.9(11) . . ?
B5 B10 B11 106.37(17) . . ?
B6 B10 B5 59.84(14) . . ?
B6 B10 B9 107.59(17) . . ?
B6 B10 H10 118.9(12) . . ?
B6 B10 B11 59.64(13) . . ?
B6 B10 B12 108.96(18) . . ?
B9 B10 H10 124.5(11) . . ?
B11 B10 B9 105.89(17) . . ?
B11 B10 H10 122.7(11) . . ?
B12 B10 B5 108.47(17) . . ?
B12 B10 B9 59.88(14) . . ?
B12 B10 H10 123.2(12) . . ?
B12 B10 B11 59.75(14) . . ?
C2 B11 B6 60.77(13) . . ?
C2 B11 B7 60.03(13) . . ?
C2 B11 B10 103.96(17) . . ?
C2 B11 H11 117.9(10) . . ?
C2 B11 B12 104.44(17) . . ?
B6 B11 B7 111.74(18) . . ?
B6 B11 B10 58.78(14) . . ?
B6 B11 H11 117.7(10) . . ?
B6 B11 B12 107.78(18) . . ?
B7 B11 B10 108.08(18) . . ?
B7 B11 H11 117.9(10) . . ?
B7 B11 B12 59.95(14) . . ?
B10 B11 H11 128.6(10) . . ?
B12 B11 B10 59.18(14) . . ?
B12 B11 H11 128.4(10) . . ?
B7 B12 B8 59.31(14) . . ?
B7 B12 B9 106.37(17) . . ?
B7 B12 B11 59.93(14) . . ?
B7 B12 H12 120.0(12) . . ?
B8 B12 H12 122.1(12) . . ?
B9 B12 B8 59.57(14) . . ?
B9 B12 H12 125.3(12) . . ?
B10 B12 B7 109.59(17) . . ?
B10 B12 B8 110.29(17) . . ?
B10 B12 B9 61.12(14) . . ?
B10 B12 B11 61.07(14) . . ?
B10 B12 H12 120.5(12) . . ?
B11 B12 B8 108.05(17) . . ?
B11 B12 B9 107.85(17) . . ?
B11 B12 H12 119.4(13) . . ?
C102 C101 P1 119.41(16) . . ?
C102 C101 C106 118.79(19) . . ?
C106 C101 P1 121.75(16) . . ?
C101 C102 H102 119.7 . . ?
C103 C102 C101 120.6(2) . . ?
C103 C102 H102 119.7 . . ?
C102 C103 H103 119.9 . . ?
C104 C103 C102 120.2(2) . . ?
C104 C103 H103 119.9 . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 119.9(2) . . ?
C105 C104 H104 120.0 . . ?
C104 C105 H105 119.9 . . ?
C104 C105 C106 120.2(2) . . ?
C106 C105 H105 119.9 . . ?
C101 C106 H106 119.9 . . ?
C105 C106 C101 120.3(2) . . ?
C105 C106 H106 119.9 . . ?
C108 C107 P1 119.78(16) . . ?
C108 C107 C112 118.75(19) . . ?
C112 C107 P1 121.35(16) . . ?
C107 C108 H108 119.7 . . ?
C109 C108 C107 120.6(2) . . ?
C109 C108 H108 119.7 . . ?
C108 C109 H109 120.1 . . ?
C110 C109 C108 119.9(2) . . ?
C110 C109 H109 120.1 . . ?
C109 C110 H110 120.1 . . ?
C111 C110 C109 119.8(2) . . ?
C111 C110 H110 120.1 . . ?
C110 C111 H111 119.7 . . ?
C110 C111 C112 120.5(2) . . ?
C112 C111 H111 119.7 . . ?
C107 C112 H112 119.8 . . ?
C111 C112 C107 120.4(2) . . ?
C111 C112 H112 119.8 . . ?
P1 C113 H11A 109.5 . . ?
P1 C113 H11B 109.5 . . ?
H11A C113 H11B 108.1 . . ?
C213 C113 P1 110.78(14) . . ?
C213 C113 H11A 109.5 . . ?
C213 C113 H11B 109.5 . . ?
C202 C201 P2 119.75(16) . . ?
C206 C201 P2 121.15(15) . . ?
C206 C201 C202 119.11(18) . . ?
C201 C202 H202 119.8 . . ?
C203 C202 C201 120.4(2) . . ?
C203 C202 H202 119.8 . . ?
C202 C203 H203 119.9 . . ?
C202 C203 C204 120.2(2) . . ?
C204 C203 H203 119.9 . . ?
C203 C204 H204 120.0 . . ?
C205 C204 C203 119.9(2) . . ?
C205 C204 H204 120.0 . . ?
C204 C205 H205 119.6 . . ?
C204 C205 C206 120.7(2) . . ?
C206 C205 H205 119.6 . . ?
C201 C206 H206 120.2 . . ?
C205 C206 C201 119.63(19) . . ?
C205 C206 H206 120.2 . . ?
C208 C207 P2 120.03(15) . . ?
C212 C207 P2 121.19(16) . . ?
C212 C207 C208 118.77(19) . . ?
C207 C208 H208 119.7 . . ?
C209 C208 C207 120.6(2) . . ?
C209 C208 H208 119.7 . . ?
C208 C209 H209 120.2 . . ?
C208 C209 C210 119.7(2) . . ?
C210 C209 H209 120.2 . . ?
C209 C210 H210 119.8 . . ?
C211 C210 C209 120.4(2) . . ?
C211 C210 H210 119.8 . . ?
C210 C211 H211 120.0 . . ?
C210 C211 C212 120.0(2) . . ?
C212 C211 H211 120.0 . . ?
C207 C212 H212 119.7 . . ?
C211 C212 C207 120.6(2) . . ?
C211 C212 H212 119.7 . . ?
P2 C213 H21A 110.5 . . ?
P2 C213 H21B 110.5 . . ?
C113 C213 P2 105.95(14) . . ?
C113 C213 H21A 110.5 . . ?
C113 C213 H21B 110.5 . . ?
H21A C213 H21B 108.7 . . ?
C1 C1' C2' 119.26(16) . . ?
C1 C1' B3' 117.88(16) . . ?
C1 C1' B4' 122.18(18) . . ?
C1 C1' B5' 122.53(17) . . ?
C1 C1' B6' 117.45(17) . . ?
C2' C1' B3' 60.69(13) . . ?
C2' C1' B4' 109.04(16) . . ?
C2' C1' B5' 108.50(16) . . ?
C2' C1' B6' 60.47(13) . . ?
B3' C1' B6' 112.66(16) . . ?
B4' C1' B3' 61.60(13) . . ?
B4' C1' B6' 112.89(16) . . ?
B5' C1' B3' 112.25(16) . . ?
B5' C1' B4' 62.18(13) . . ?
B5' C1' B6' 61.60(14) . . ?
C1' C2' H2' 115.7(14) . . ?
C1' C2' B3' 62.33(13) . . ?
C1' C2' B6' 62.51(13) . . ?
C1' C2' B7' 113.15(17) . . ?
C1' C2' B11' 113.35(16) . . ?
B3' C2' H2' 116.6(14) . . ?
B6' C2' H2' 115.2(14) . . ?
B6' C2' B3' 115.75(18) . . ?
B7' C2' H2' 121.3(14) . . ?
B7' C2' B3' 62.87(15) . . ?
B7' C2' B6' 115.12(16) . . ?
B11' C2' H2' 120.2(14) . . ?
B11' C2' B3' 115.22(17) . . ?
B11' C2' B6' 62.89(14) . . ?
B11' C2' B7' 62.69(14) . . ?
C1' B3' H3' 115.6(12) . . ?
C1' B3' B4' 58.99(13) . . ?
C1' B3' B7' 105.16(17) . . ?
C1' B3' B8' 105.84(17) . . ?
C2' B3' C1' 56.98(12) . . ?
C2' B3' H3' 115.8(12) . . ?
C2' B3' B4' 104.07(17) . . ?
C2' B3' B7' 58.32(14) . . ?
C2' B3' B8' 104.53(17) . . ?
B4' B3' H3' 125.7(12) . . ?
B4' B3' B7' 108.19(17) . . ?
B7' B3' H3' 123.5(12) . . ?
B8' B3' H3' 133.1(12) . . ?
B8' B3' B4' 60.31(14) . . ?
B8' B3' B7' 60.33(15) . . ?
C1' B4' B3' 59.42(13) . . ?
C1' B4' H4' 118.2(11) . . ?
C1' B4' B5' 58.84(13) . . ?
C1' B4' B8' 105.45(18) . . ?
C1' B4' B9' 105.17(17) . . ?
B3' B4' H4' 116.0(11) . . ?
B3' B4' B5' 107.80(17) . . ?
B3' B4' B9' 107.30(18) . . ?
B5' B4' H4' 123.7(11) . . ?
B8' B4' B3' 59.37(14) . . ?
B8' B4' H4' 124.2(11) . . ?
B8' B4' B5' 107.65(18) . . ?
B8' B4' B9' 59.97(14) . . ?
B9' B4' H4' 129.6(11) . . ?
B9' B4' B5' 59.65(14) . . ?
C1' B5' B4' 58.97(13) . . ?
C1' B5' H5' 116.6(12) . . ?
C1' B5' B6' 59.53(13) . . ?
C1' B5' B9' 105.59(17) . . ?
C1' B5' B10' 105.84(17) . . ?
B4' B5' H5' 120.0(12) . . ?
B6' B5' B4' 108.58(17) . . ?
B6' B5' H5' 117.5(12) . . ?
B9' B5' B4' 60.07(14) . . ?
B9' B5' H5' 128.7(12) . . ?
B9' B5' B6' 108.25(18) . . ?
B10' B5' B4' 108.66(17) . . ?
B10' B5' H5' 126.7(12) . . ?
B10' B5' B6' 59.71(14) . . ?
B10' B5' B9' 60.51(14) . . ?
C1' B6' B5' 58.87(13) . . ?
C1' B6' H6' 118.0(11) . . ?
C1' B6' B10' 105.60(17) . . ?
C1' B6' B11' 105.25(17) . . ?
C2' B6' C1' 57.03(12) . . ?
C2' B6' B5' 103.67(17) . . ?
C2' B6' H6' 118.1(12) . . ?
C2' B6' B10' 104.04(17) . . ?
C2' B6' B11' 58.34(13) . . ?
B5' B6' H6' 125.8(12) . . ?
B5' B6' B11' 107.71(18) . . ?
B10' B6' B5' 60.06(14) . . ?
B10' B6' H6' 130.8(11) . . ?
B10' B6' B11' 59.97(14) . . ?
B11' B6' H6' 122.8(12) . . ?
C2' B7' B3' 58.81(13) . . ?
C2' B7' H7' 117.0(11) . . ?
C2' B7' B8' 104.06(18) . . ?
C2' B7' B11' 58.56(13) . . ?
C2' B7' B12' 104.74(18) . . ?
B3' B7' H7' 115.8(11) . . ?
B8' B7' B3' 59.24(14) . . ?
B8' B7' H7' 126.7(12) . . ?
B11' B7' B3' 108.43(17) . . ?
B11' B7' H7' 120.9(12) . . ?
B11' B7' B8' 108.76(18) . . ?
B12' B7' B3' 108.21(19) . . ?
B12' B7' H7' 130.2(11) . . ?
B12' B7' B8' 60.61(15) . . ?
B12' B7' B11' 60.56(15) . . ?
B3' B8' B4' 60.32(14) . . ?
B3' B8' B7' 60.43(14) . . ?
B3' B8' H8' 118.8(12) . . ?
B3' B8' B9' 108.24(18) . . ?
B3' B8' B12' 108.09(19) . . ?
B4' B8' B7' 108.28(18) . . ?
B4' B8' H8' 123.0(12) . . ?
B4' B8' B9' 60.20(14) . . ?
B4' B8' B12' 108.19(18) . . ?
B7' B8' H8' 118.8(12) . . ?
B7' B8' B12' 59.26(15) . . ?
B9' B8' B7' 107.14(19) . . ?
B9' B8' H8' 125.5(12) . . ?
B9' B8' B12' 59.76(15) . . ?
B12' B8' H8' 122.4(12) . . ?
B4' B9' H9' 122.5(12) . . ?
B4' B9' B10' 108.17(17) . . ?
B5' B9' B4' 60.27(14) . . ?
B5' B9' B8' 108.02(17) . . ?
B5' B9' H9' 119.6(11) . . ?
B5' B9' B10' 59.69(14) . . ?
B5' B9' B12' 108.11(18) . . ?
B8' B9' B4' 59.83(14) . . ?
B8' B9' H9' 124.4(11) . . ?
B8' B9' B10' 108.37(19) . . ?
B10' B9' H9' 119.2(12) . . ?
B12' B9' B4' 108.37(18) . . ?
B12' B9' B8' 60.36(15) . . ?
B12' B9' H9' 122.1(11) . . ?
B12' B9' B10' 60.29(15) . . ?
B5' B10' B9' 59.80(14) . . ?
B5' B10' H10' 120.5(11) . . ?
B5' B10' B12' 107.61(18) . . ?
B6' B10' B5' 60.23(14) . . ?
B6' B10' B9' 108.10(17) . . ?
B6' B10' H10' 117.1(11) . . ?
B6' B10' B11' 60.31(14) . . ?
B6' B10' B12' 108.34(17) . . ?
B9' B10' H10' 125.4(11) . . ?
B9' B10' B12' 59.55(15) . . ?
B11' B10' B5' 108.10(17) . . ?
B11' B10' B9' 107.63(18) . . ?
B11' B10' H10' 120.3(11) . . ?
B11' B10' B12' 60.03(15) . . ?
B12' B10' H10' 125.2(10) . . ?
C2' B11' B6' 58.76(13) . . ?
C2' B11' B7' 58.75(13) . . ?
C2' B11' B10' 104.16(17) . . ?
C2' B11' H11' 118.7(11) . . ?
C2' B11' B12' 104.10(18) . . ?
B6' B11' H11' 117.7(11) . . ?
B6' B11' B12' 108.26(19) . . ?
B7' B11' B6' 108.45(18) . . ?
B7' B11' B10' 108.09(19) . . ?
B7' B11' H11' 120.4(11) . . ?
B7' B11' B12' 59.53(14) . . ?
B10' B11' B6' 59.72(14) . . ?
B10' B11' H11' 126.7(11) . . ?
B10' B11' B12' 60.51(15) . . ?
B12' B11' H11' 128.4(11) . . ?
B7' B12' B8' 60.13(15) . . ?
B7' B12' B9' 107.92(18) . . ?
B7' B12' B10' 107.56(17) . . ?
B7' B12' B11' 59.91(14) . . ?
B7' B12' H12' 115.3(11) . . ?
B8' B12' B10' 107.89(18) . . ?
B8' B12' H12' 119.8(12) . . ?
B9' B12' B8' 59.87(15) . . ?
B9' B12' B10' 60.16(15) . . ?
B9' B12' B11' 107.67(18) . . ?
B9' B12' H12' 127.1(12) . . ?
B10' B12' H12' 126.9(12) . . ?
B11' B12' B8' 107.87(17) . . ?
B11' B12' B10' 59.47(14) . . ?
B11' B12' H12' 119.6(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B6 B5 -37.69(15) . . . . ?
C1 C2 B6 B10 -100.10(18) . . . . ?
C1 C2 B6 B11 -142.95(18) . . . . ?
C1 C2 B7 Ni3 -58.66(14) . . . . ?
C1 C2 B7 B8 -2.9(2) . . . . ?
C1 C2 B7 B11 101.34(19) . . . . ?
C1 C2 B7 B12 59.6(2) . . . . ?
C1 C2 B11 B6 34.59(17) . . . . ?
C1 C2 B11 B7 -109.76(19) . . . . ?
C1 C2 B11 B10 -6.7(2) . . . . ?
C1 C2 B11 B12 -68.0(2) . . . . ?
C1 B4 B5 B6 35.34(15) . . . . ?
C1 B4 B5 B9 136.86(18) . . . . ?
C1 B4 B5 B10 97.85(18) . . . . ?
C1 B4 B8 Ni3 60.35(13) . . . . ?
C1 B4 B8 B7 8.0(2) . . . . ?
C1 B4 B8 B9 -94.53(18) . . . . ?
C1 B4 B8 B12 -54.4(2) . . . . ?
C1 B4 B9 B5 -36.30(15) . . . . ?
C1 B4 B9 B8 104.61(17) . . . . ?
C1 B4 B9 B10 1.9(2) . . . . ?
C1 B4 B9 B12 64.09(19) . . . . ?
C1 B5 B6 C2 35.70(13) . . . . ?
C1 B5 B6 B10 136.20(17) . . . . ?
C1 B5 B6 B11 95.96(17) . . . . ?
C1 B5 B9 B4 37.10(16) . . . . ?
C1 B5 B9 B8 0.2(2) . . . . ?
C1 B5 B9 B10 -99.67(18) . . . . ?
C1 B5 B9 B12 -64.0(2) . . . . ?
C1 B5 B10 B6 -38.28(15) . . . . ?
C1 B5 B10 B9 99.64(17) . . . . ?
C1 B5 B10 B11 0.5(2) . . . . ?
C1 B5 B10 B12 63.4(2) . . . . ?
C1 B6 B10 B5 37.97(15) . . . . ?
C1 B6 B10 B9 0.5(2) . . . . ?
C1 B6 B10 B11 -97.93(17) . . . . ?
C1 B6 B10 B12 -62.9(2) . . . . ?
C1 B6 B11 C2 -30.44(15) . . . . ?
C1 B6 B11 B7 2.5(2) . . . . ?
C1 B6 B11 B10 101.05(18) . . . . ?
C1 B6 B11 B12 66.5(2) . . . . ?
C1 C1' C2' B3' 107.5(2) . . . . ?
C1 C1' C2' B6' -106.9(2) . . . . ?
C1 C1' C2' B7' 145.82(18) . . . . ?
C1 C1' C2' B11' -145.21(18) . . . . ?
C1 C1' B3' C2' -109.70(19) . . . . ?
C1 C1' B3' B4' 113.5(2) . . . . ?
C1 C1' B3' B7' -144.11(18) . . . . ?
C1 C1' B3' B8' 153.03(18) . . . . ?
C1 C1' B4' B3' -106.7(2) . . . . ?
C1 C1' B4' B5' 112.7(2) . . . . ?
C1 C1' B4' B8' -145.72(18) . . . . ?
C1 C1' B4' B9' 151.87(18) . . . . ?
C1 C1' B5' B4' -112.2(2) . . . . ?
C1 C1' B5' B6' 106.1(2) . . . . ?
C1 C1' B5' B9' -151.63(19) . . . . ?
C1 C1' B5' B10' 145.24(19) . . . . ?
C1 C1' B6' C2' 109.80(19) . . . . ?
C1 C1' B6' B5' -114.1(2) . . . . ?
C1 C1' B6' B10' -153.36(17) . . . . ?
C1 C1' B6' B11' 144.18(18) . . . . ?
P1 C101 C102 C103 179.68(19) . . . . ?
P1 C101 C106 C105 -178.98(18) . . . . ?
P1 C107 C108 C109 -174.38(16) . . . . ?
P1 C107 C112 C111 175.03(16) . . . . ?
P1 C113 C213 P2 -46.92(16) . . . . ?
C2 C1 B4 Ni3 44.84(13) . . . . ?
C2 C1 B4 B5 -107.03(17) . . . . ?
C2 C1 B4 B8 -9.6(2) . . . . ?
C2 C1 B4 B9 -69.99(18) . . . . ?
C2 C1 B5 B4 96.90(17) . . . . ?
C2 C1 B5 B6 -43.04(16) . . . . ?
C2 C1 B5 B9 58.8(2) . . . . ?
C2 C1 B5 B10 -4.8(2) . . . . ?
C2 C1 B6 B5 135.25(17) . . . . ?
C2 C1 B6 B10 96.20(17) . . . . ?
C2 C1 B6 B11 32.06(16) . . . . ?
C2 C1 C1' C2' -116.7(2) . . . . ?
C2 C1 C1' B3' -46.5(3) . . . . ?
C2 C1 C1' B4' 25.9(3) . . . . ?
C2 C1 C1' B5' 101.3(2) . . . . ?
C2 C1 C1' B6' 173.54(16) . . . . ?
C2 B6 B10 B5 94.63(17) . . . . ?
C2 B6 B10 B9 57.2(2) . . . . ?
C2 B6 B10 B11 -41.27(15) . . . . ?
C2 B6 B10 B12 -6.2(2) . . . . ?
C2 B6 B11 B7 32.92(17) . . . . ?
C2 B6 B11 B10 131.49(18) . . . . ?
C2 B6 B11 B12 96.93(18) . . . . ?
C2 B7 B8 Ni3 -55.46(12) . . . . ?
C2 B7 B8 B4 -3.15(19) . . . . ?
C2 B7 B8 B9 59.38(19) . . . . ?
C2 B7 B8 B12 97.91(16) . . . . ?
C2 B7 B11 B6 -33.20(17) . . . . ?
C2 B7 B11 B10 -96.01(18) . . . . ?
C2 B7 B11 B12 -131.78(18) . . . . ?
C2 B7 B12 B8 -98.52(17) . . . . ?
C2 B7 B12 B9 -60.5(2) . . . . ?
C2 B7 B12 B10 4.0(2) . . . . ?
C2 B7 B12 B11 40.95(16) . . . . ?
C2 B11 B12 B7 -41.84(15) . . . . ?
C2 B11 B12 B8 -5.8(2) . . . . ?
C2 B11 B12 B9 57.1(2) . . . . ?
C2 B11 B12 B10 97.85(17) . . . . ?
P2 C201 C202 C203 -179.10(17) . . . . ?
P2 C201 C206 C205 -179.83(16) . . . . ?
P2 C207 C208 C209 -179.90(16) . . . . ?
P2 C207 C212 C211 179.35(17) . . . . ?
Ni3 C1 C2 B6 154.90(13) . . . . ?
Ni3 C1 C2 B7 52.56(13) . . . . ?
Ni3 C1 C2 B11 120.43(16) . . . . ?
Ni3 C1 B4 B5 -151.87(14) . . . . ?
Ni3 C1 B4 B8 -54.43(12) . . . . ?
Ni3 C1 B4 B9 -114.83(15) . . . . ?
Ni3 C1 B5 B4 28.32(14) . . . . ?
Ni3 C1 B5 B6 -111.62(16) . . . . ?
Ni3 C1 B5 B9 -9.8(2) . . . . ?
Ni3 C1 B5 B10 -73.36(18) . . . . ?
Ni3 C1 B6 C2 -25.78(14) . . . . ?
Ni3 C1 B6 B5 109.47(16) . . . . ?
Ni3 C1 B6 B10 70.42(19) . . . . ?
Ni3 C1 B6 B11 6.3(2) . . . . ?
Ni3 C1 C1' C2' -46.5(2) . . . . ?
Ni3 C1 C1' B3' 23.8(2) . . . . ?
Ni3 C1 C1' B4' 96.12(19) . . . . ?
Ni3 C1 C1' B5' 171.49(15) . . . . ?
Ni3 C1 C1' B6' -116.24(16) . . . . ?
Ni3 P1 C101 C102 134.81(17) . . . . ?
Ni3 P1 C101 C106 -47.6(2) . . . . ?
Ni3 P1 C107 C108 83.97(17) . . . . ?
Ni3 P1 C107 C112 -91.89(16) . . . . ?
Ni3 P1 C113 C213 28.69(16) . . . . ?
Ni3 C2 B6 C1 33.42(17) . . . . ?
Ni3 C2 B6 B5 -4.3(2) . . . . ?
Ni3 C2 B6 B10 -66.7(2) . . . . ?
Ni3 C2 B6 B11 -109.5(2) . . . . ?
Ni3 C2 B7 B8 55.71(12) . . . . ?
Ni3 C2 B7 B11 160.00(15) . . . . ?
Ni3 C2 B7 B12 118.30(16) . . . . ?
Ni3 C2 B11 B6 122.72(18) . . . . ?
Ni3 C2 B11 B7 -21.63(16) . . . . ?
Ni3 C2 B11 B10 81.41(18) . . . . ?
Ni3 C2 B11 B12 20.2(2) . . . . ?
Ni3 P2 C201 C202 -21.73(18) . . . . ?
Ni3 P2 C201 C206 158.17(15) . . . . ?
Ni3 P2 C207 C208 -67.77(18) . . . . ?
Ni3 P2 C207 C212 111.57(16) . . . . ?
Ni3 P2 C213 C113 46.40(14) . . . . ?
Ni3 B4 B5 C1 -33.32(15) . . . . ?
Ni3 B4 B5 B6 2.0(2) . . . . ?
Ni3 B4 B5 B9 103.53(18) . . . . ?
Ni3 B4 B5 B10 64.5(2) . . . . ?
Ni3 B4 B8 B7 -52.39(12) . . . . ?
Ni3 B4 B8 B9 -154.88(15) . . . . ?
Ni3 B4 B8 B12 -114.77(16) . . . . ?
Ni3 B4 B9 B5 -115.45(17) . . . . ?
Ni3 B4 B9 B8 25.47(15) . . . . ?
Ni3 B4 B9 B10 -77.30(18) . . . . ?
Ni3 B4 B9 B12 -15.1(2) . . . . ?
Ni3 B7 B8 B4 52.31(12) . . . . ?
Ni3 B7 B8 B9 114.84(15) . . . . ?
Ni3 B7 B8 B12 153.37(14) . . . . ?
Ni3 B7 B11 C2 21.47(16) . . . . ?
Ni3 B7 B11 B6 -11.7(3) . . . . ?
Ni3 B7 B11 B10 -74.5(2) . . . . ?
Ni3 B7 B11 B12 -110.31(19) . . . . ?
Ni3 B7 B12 B8 -28.64(15) . . . . ?
Ni3 B7 B12 B9 9.3(2) . . . . ?
Ni3 B7 B12 B10 73.9(2) . . . . ?
Ni3 B7 B12 B11 110.82(18) . . . . ?
Ni3 B8 B9 B4 -26.05(16) . . . . ?
Ni3 B8 B9 B5 10.5(2) . . . . ?
Ni3 B8 B9 B10 74.2(2) . . . . ?
Ni3 B8 B9 B12 108.49(18) . . . . ?
Ni3 B8 B12 B7 27.51(15) . . . . ?
Ni3 B8 B12 B9 -109.27(17) . . . . ?
Ni3 B8 B12 B10 -73.8(2) . . . . ?
Ni3 B8 B12 B11 -8.8(2) . . . . ?
B4 C1 C2 Ni3 -44.57(12) . . . . ?
B4 C1 C2 B6 110.33(17) . . . . ?
B4 C1 C2 B7 8.0(2) . . . . ?
B4 C1 C2 B11 75.86(19) . . . . ?
B4 C1 B5 B6 -139.95(17) . . . . ?
B4 C1 B5 B9 -38.11(16) . . . . ?
B4 C1 B5 B10 -101.69(18) . . . . ?
B4 C1 B6 C2 -95.48(18) . . . . ?
B4 C1 B6 B5 39.77(16) . . . . ?
B4 C1 B6 B10 0.7(2) . . . . ?
B4 C1 B6 B11 -63.4(2) . . . . ?
B4 C1 C1' C2' 25.1(3) . . . . ?
B4 C1 C1' B3' 95.3(2) . . . . ?
B4 C1 C1' B4' 167.71(18) . . . . ?
B4 C1 C1' B5' -116.9(2) . . . . ?
B4 C1 C1' B6' -44.7(3) . . . . ?
B4 B5 B6 C1 -34.76(14) . . . . ?
B4 B5 B6 C2 0.9(2) . . . . ?
B4 B5 B6 B10 101.43(18) . . . . ?
B4 B5 B6 B11 61.2(2) . . . . ?
B4 B5 B9 B8 -36.92(17) . . . . ?
B4 B5 B9 B10 -136.77(18) . . . . ?
B4 B5 B9 B12 -101.14(18) . . . . ?
B4 B5 B10 B6 -99.20(18) . . . . ?
B4 B5 B10 B9 38.72(16) . . . . ?
B4 B5 B10 B11 -60.4(2) . . . . ?
B4 B5 B10 B12 2.5(2) . . . . ?
B4 B8 B9 B5 36.50(17) . . . . ?
B4 B8 B9 B10 100.22(18) . . . . ?
B4 B8 B9 B12 134.54(17) . . . . ?
B4 B8 B12 B7 96.72(17) . . . . ?
B4 B8 B12 B9 -40.06(15) . . . . ?
B4 B8 B12 B10 -4.6(2) . . . . ?
B4 B8 B12 B11 60.5(2) . . . . ?
B4 B9 B10 B5 -38.95(16) . . . . ?
B4 B9 B10 B6 -1.5(2) . . . . ?
B4 B9 B10 B11 61.0(2) . . . . ?
B4 B9 B10 B12 100.62(18) . . . . ?
B4 B9 B12 B7 3.6(2) . . . . ?
B4 B9 B12 B8 41.42(15) . . . . ?
B4 B9 B12 B10 -100.14(18) . . . . ?
B4 B9 B12 B11 -59.4(2) . . . . ?
B5 C1 C2 Ni3 -112.96(14) . . . . ?
B5 C1 C2 B6 41.95(16) . . . . ?
B5 C1 C2 B7 -60.4(2) . . . . ?
B5 C1 C2 B11 7.5(2) . . . . ?
B5 C1 B4 Ni3 151.87(14) . . . . ?
B5 C1 B4 B8 97.44(17) . . . . ?
B5 C1 B4 B9 37.04(15) . . . . ?
B5 C1 B6 C2 -135.25(17) . . . . ?
B5 C1 B6 B10 -39.05(16) . . . . ?
B5 C1 B6 B11 -103.19(18) . . . . ?
B5 C1 C1' C2' 103.1(2) . . . . ?
B5 C1 C1' B3' 173.30(17) . . . . ?
B5 C1 C1' B4' -114.3(2) . . . . ?
B5 C1 C1' B5' -39.0(3) . . . . ?
B5 C1 C1' B6' 33.3(3) . . . . ?
B5 B4 B8 Ni3 120.68(15) . . . . ?
B5 B4 B8 B7 68.29(19) . . . . ?
B5 B4 B8 B9 -34.20(16) . . . . ?
B5 B4 B8 B12 5.9(2) . . . . ?
B5 B4 B9 B8 140.91(18) . . . . ?
B5 B4 B9 B10 38.15(16) . . . . ?
B5 B4 B9 B12 100.39(18) . . . . ?
B5 B6 B10 B9 -37.43(16) . . . . ?
B5 B6 B10 B11 -135.90(17) . . . . ?
B5 B6 B10 B12 -100.83(19) . . . . ?
B5 B6 B11 C2 -91.61(18) . . . . ?
B5 B6 B11 B7 -58.7(2) . . . . ?
B5 B6 B11 B10 39.88(16) . . . . ?
B5 B6 B11 B12 5.3(2) . . . . ?
B5 B9 B10 B6 37.44(16) . . . . ?
B5 B9 B10 B11 99.98(17) . . . . ?
B5 B9 B10 B12 139.56(18) . . . . ?
B5 B9 B12 B7 68.0(2) . . . . ?
B5 B9 B12 B8 105.81(18) . . . . ?
B5 B9 B12 B10 -35.76(16) . . . . ?
B5 B9 B12 B11 5.0(2) . . . . ?
B5 B10 B11 C2 3.5(2) . . . . ?
B5 B10 B11 B6 -38.84(16) . . . . ?
B5 B10 B11 B7 66.1(2) . . . . ?
B5 B10 B11 B12 102.18(19) . . . . ?
B5 B10 B12 B7 -62.1(2) . . . . ?
B5 B10 B12 B8 1.4(2) . . . . ?
B5 B10 B12 B9 36.24(16) . . . . ?
B5 B10 B12 B11 -98.57(18) . . . . ?
B6 C1 C2 Ni3 -154.90(13) . . . . ?
B6 C1 C2 B7 -102.34(18) . . . . ?
B6 C1 C2 B11 -34.47(16) . . . . ?
B6 C1 B4 Ni3 113.21(15) . . . . ?
B6 C1 B4 B5 -38.66(16) . . . . ?
B6 C1 B4 B8 58.8(2) . . . . ?
B6 C1 B4 B9 -1.6(2) . . . . ?
B6 C1 B5 B4 139.95(17) . . . . ?
B6 C1 B5 B9 101.83(18) . . . . ?
B6 C1 B5 B10 38.26(16) . . . . ?
B6 C1 C1' C2' 171.63(17) . . . . ?
B6 C1 C1' B3' -118.15(19) . . . . ?
B6 C1 C1' B4' -45.8(2) . . . . ?
B6 C1 C1' B5' 29.6(3) . . . . ?
B6 C1 C1' B6' 101.9(2) . . . . ?
B6 C2 B7 Ni3 -126.55(16) . . . . ?
B6 C2 B7 B8 -70.8(2) . . . . ?
B6 C2 B7 B11 33.44(17) . . . . ?
B6 C2 B7 B12 -8.3(2) . . . . ?
B6 C2 B11 B7 -144.35(19) . . . . ?
B6 C2 B11 B10 -41.31(15) . . . . ?
B6 C2 B11 B12 -102.55(19) . . . . ?
B6 B5 B9 B4 99.44(18) . . . . ?
B6 B5 B9 B8 62.5(2) . . . . ?
B6 B5 B9 B10 -37.32(16) . . . . ?
B6 B5 B9 B12 -1.7(2) . . . . ?
B6 B5 B10 B9 137.92(18) . . . . ?
B6 B5 B10 B11 38.75(15) . . . . ?
B6 B5 B10 B12 101.65(19) . . . . ?
B6 B10 B11 C2 42.35(15) . . . . ?
B6 B10 B11 B7 104.93(18) . . . . ?
B6 B10 B11 B12 141.02(19) . . . . ?
B6 B10 B12 B7 1.4(2) . . . . ?
B6 B10 B12 B8 64.9(2) . . . . ?
B6 B10 B12 B9 99.79(19) . . . . ?
B6 B10 B12 B11 -35.02(17) . . . . ?
B6 B11 B12 B7 -105.29(18) . . . . ?
B6 B11 B12 B8 -69.3(2) . . . . ?
B6 B11 B12 B9 -6.3(2) . . . . ?
B6 B11 B12 B10 34.40(16) . . . . ?
B7 C2 B6 C1 109.29(19) . . . . ?
B7 C2 B6 B5 71.6(2) . . . . ?
B7 C2 B6 B10 9.2(2) . . . . ?
B7 C2 B6 B11 -33.66(17) . . . . ?
B7 C2 B11 B6 144.35(19) . . . . ?
B7 C2 B11 B10 103.04(18) . . . . ?
B7 C2 B11 B12 41.80(16) . . . . ?
B7 B8 B9 B4 -96.05(17) . . . . ?
B7 B8 B9 B5 -59.6(2) . . . . ?
B7 B8 B9 B10 4.2(2) . . . . ?
B7 B8 B9 B12 38.48(16) . . . . ?
B7 B8 B12 B9 -136.78(17) . . . . ?
B7 B8 B12 B10 -101.31(19) . . . . ?
B7 B8 B12 B11 -36.27(16) . . . . ?
B7 B11 B12 B8 36.00(16) . . . . ?
B7 B11 B12 B9 98.95(19) . . . . ?
B7 B11 B12 B10 139.69(18) . . . . ?
B8 B4 B5 C1 -103.03(17) . . . . ?
B8 B4 B5 B6 -67.69(19) . . . . ?
B8 B4 B5 B9 33.82(16) . . . . ?
B8 B4 B5 B10 -5.2(2) . . . . ?
B8 B4 B9 B5 -140.91(18) . . . . ?
B8 B4 B9 B10 -102.76(19) . . . . ?
B8 B4 B9 B12 -40.53(16) . . . . ?
B8 B7 B11 C2 94.92(18) . . . . ?
B8 B7 B11 B6 61.7(2) . . . . ?
B8 B7 B11 B10 -1.1(2) . . . . ?
B8 B7 B11 B12 -36.85(16) . . . . ?
B8 B7 B12 B9 37.98(16) . . . . ?
B8 B7 B12 B10 102.53(19) . . . . ?
B8 B7 B12 B11 139.46(18) . . . . ?
B8 B9 B10 B5 -104.75(18) . . . . ?
B8 B9 B10 B6 -67.3(2) . . . . ?
B8 B9 B10 B11 -4.8(2) . . . . ?
B8 B9 B10 B12 34.82(16) . . . . ?
B8 B9 B12 B7 -37.86(16) . . . . ?
B8 B9 B12 B10 -141.57(18) . . . . ?
B8 B9 B12 B11 -100.86(18) . . . . ?
B9 B4 B5 C1 -136.86(18) . . . . ?
B9 B4 B5 B6 -101.51(18) . . . . ?
B9 B4 B5 B10 -39.01(16) . . . . ?
B9 B4 B8 Ni3 154.88(15) . . . . ?
B9 B4 B8 B7 102.49(18) . . . . ?
B9 B4 B8 B12 40.11(16) . . . . ?
B9 B5 B6 C1 -98.20(17) . . . . ?
B9 B5 B6 C2 -62.50(19) . . . . ?
B9 B5 B6 B10 38.00(16) . . . . ?
B9 B5 B6 B11 -2.2(2) . . . . ?
B9 B5 B10 B6 -137.92(18) . . . . ?
B9 B5 B10 B11 -99.17(18) . . . . ?
B9 B5 B10 B12 -36.26(17) . . . . ?
B9 B8 B12 B7 136.78(17) . . . . ?
B9 B8 B12 B10 35.47(17) . . . . ?
B9 B8 B12 B11 100.51(18) . . . . ?
B9 B10 B11 C2 -59.04(19) . . . . ?
B9 B10 B11 B6 -101.38(18) . . . . ?
B9 B10 B11 B7 3.6(2) . . . . ?
B9 B10 B11 B12 39.64(16) . . . . ?
B9 B10 B12 B7 -98.36(19) . . . . ?
B9 B10 B12 B8 -34.85(17) . . . . ?
B9 B10 B12 B11 -134.82(18) . . . . ?
B10 B5 B6 C1 -136.20(17) . . . . ?
B10 B5 B6 C2 -100.49(17) . . . . ?
B10 B5 B6 B11 -40.23(16) . . . . ?
B10 B5 B9 B4 136.77(18) . . . . ?
B10 B5 B9 B8 99.8(2) . . . . ?
B10 B5 B9 B12 35.63(16) . . . . ?
B10 B6 B11 C2 -131.49(18) . . . . ?
B10 B6 B11 B7 -98.6(2) . . . . ?
B10 B6 B11 B12 -34.56(17) . . . . ?
B10 B9 B12 B7 103.71(18) . . . . ?
B10 B9 B12 B8 141.57(18) . . . . ?
B10 B9 B12 B11 40.71(16) . . . . ?
B10 B11 B12 B7 -139.69(18) . . . . ?
B10 B11 B12 B8 -103.69(19) . . . . ?
B10 B11 B12 B9 -40.74(16) . . . . ?
B11 C2 B6 C1 142.95(18) . . . . ?
B11 C2 B6 B5 105.27(18) . . . . ?
B11 C2 B6 B10 42.85(16) . . . . ?
B11 C2 B7 Ni3 -160.00(15) . . . . ?
B11 C2 B7 B8 -104.28(18) . . . . ?
B11 C2 B7 B12 -41.69(16) . . . . ?
B11 B6 B10 B5 135.90(17) . . . . ?
B11 B6 B10 B9 98.46(18) . . . . ?
B11 B6 B10 B12 35.07(17) . . . . ?
B11 B7 B8 Ni3 -116.73(15) . . . . ?
B11 B7 B8 B4 -64.42(19) . . . . ?
B11 B7 B8 B9 -1.9(2) . . . . ?
B11 B7 B8 B12 36.65(16) . . . . ?
B11 B7 B12 B8 -139.46(18) . . . . ?
B11 B7 B12 B9 -101.49(18) . . . . ?
B11 B7 B12 B10 -36.94(17) . . . . ?
B11 B10 B12 B7 36.46(17) . . . . ?
B11 B10 B12 B8 99.97(19) . . . . ?
B11 B10 B12 B9 134.82(18) . . . . ?
B12 B7 B8 Ni3 -153.37(14) . . . . ?
B12 B7 B8 B4 -101.07(17) . . . . ?
B12 B7 B8 B9 -38.54(16) . . . . ?
B12 B7 B11 C2 131.78(18) . . . . ?
B12 B7 B11 B6 98.6(2) . . . . ?
B12 B7 B11 B10 35.76(16) . . . . ?
B12 B8 B9 B4 -134.54(17) . . . . ?
B12 B8 B9 B5 -98.04(19) . . . . ?
B12 B8 B9 B10 -34.32(16) . . . . ?
B12 B9 B10 B5 -139.56(18) . . . . ?
B12 B9 B10 B6 -102.12(19) . . . . ?
B12 B9 B10 B11 -39.58(16) . . . . ?
B12 B10 B11 C2 -98.67(18) . . . . ?
B12 B10 B11 B6 -141.02(19) . . . . ?
B12 B10 B11 B7 -36.09(16) . . . . ?
C101 P1 C107 C108 -49.17(18) . . . . ?
C101 P1 C107 C112 134.98(17) . . . . ?
C101 P1 C113 C213 156.29(15) . . . . ?
C101 C102 C103 C104 -1.0(4) . . . . ?
C102 C101 C106 C105 -1.4(3) . . . . ?
C102 C103 C104 C105 -0.7(4) . . . . ?
C103 C104 C105 C106 1.3(4) . . . . ?
C104 C105 C106 C101 -0.3(4) . . . . ?
C106 C101 C102 C103 2.0(4) . . . . ?
C107 P1 C101 C102 -94.0(2) . . . . ?
C107 P1 C101 C106 83.61(19) . . . . ?
C107 P1 C113 C213 -96.51(16) . . . . ?
C107 C108 C109 C110 -0.5(3) . . . . ?
C108 C107 C112 C111 -0.9(3) . . . . ?
C108 C109 C110 C111 -1.3(3) . . . . ?
C109 C110 C111 C112 2.1(3) . . . . ?
C110 C111 C112 C107 -1.0(3) . . . . ?
C112 C107 C108 C109 1.6(3) . . . . ?
C113 P1 C101 C102 15.1(2) . . . . ?
C113 P1 C101 C106 -167.28(18) . . . . ?
C113 P1 C107 C108 -156.42(16) . . . . ?
C113 P1 C107 C112 27.73(19) . . . . ?
C201 P2 C207 C208 58.86(18) . . . . ?
C201 P2 C207 C212 -121.79(18) . . . . ?
C201 P2 C213 C113 -72.18(15) . . . . ?
C201 C202 C203 C204 -1.6(3) . . . . ?
C202 C201 C206 C205 0.1(3) . . . . ?
C202 C203 C204 C205 1.2(3) . . . . ?
C203 C204 C205 C206 -0.1(3) . . . . ?
C204 C205 C206 C201 -0.5(3) . . . . ?
C206 C201 C202 C203 1.0(3) . . . . ?
C207 P2 C201 C202 -154.37(16) . . . . ?
C207 P2 C201 C206 25.54(19) . . . . ?
C207 P2 C213 C113 177.55(13) . . . . ?
C207 C208 C209 C210 0.2(3) . . . . ?
C208 C207 C212 C211 -1.3(3) . . . . ?
C208 C209 C210 C211 -0.5(4) . . . . ?
C209 C210 C211 C212 0.0(4) . . . . ?
C210 C211 C212 C207 1.0(3) . . . . ?
C212 C207 C208 C209 0.7(3) . . . . ?
C213 P2 C201 C202 94.50(17) . . . . ?
C213 P2 C201 C206 -85.59(18) . . . . ?
C213 P2 C207 C208 169.27(16) . . . . ?
C213 P2 C207 C212 -11.4(2) . . . . ?
C1' C1 C2 Ni3 104.54(17) . . . . ?
C1' C1 C2 B6 -100.6(2) . . . . ?
C1' C1 C2 B7 157.10(17) . . . . ?
C1' C1 C2 B11 -135.03(18) . . . . ?
C1' C1 B4 Ni3 -101.30(19) . . . . ?
C1' C1 B4 B5 106.8(2) . . . . ?
C1' C1 B4 B8 -155.73(18) . . . . ?
C1' C1 B4 B9 143.87(19) . . . . ?
C1' C1 B5 B4 -119.9(2) . . . . ?
C1' C1 B5 B6 100.19(19) . . . . ?
C1' C1 B5 B9 -157.98(18) . . . . ?
C1' C1 B5 B10 138.45(18) . . . . ?
C1' C1 B6 C2 113.62(19) . . . . ?
C1' C1 B6 B5 -111.12(18) . . . . ?
C1' C1 B6 B10 -150.18(17) . . . . ?
C1' C1 B6 B11 145.68(17) . . . . ?
C1' C2' B3' B4' 37.22(15) . . . . ?
C1' C2' B3' B7' 140.13(17) . . . . ?
C1' C2' B3' B8' 99.67(17) . . . . ?
C1' C2' B6' B5' -37.63(14) . . . . ?
C1' C2' B6' B10' -99.68(18) . . . . ?
C1' C2' B6' B11' -140.20(18) . . . . ?
C1' C2' B7' B3' -38.13(16) . . . . ?
C1' C2' B7' B8' 1.7(2) . . . . ?
C1' C2' B7' B11' 105.33(18) . . . . ?
C1' C2' B7' B12' 64.5(2) . . . . ?
C1' C2' B11' B6' 38.20(17) . . . . ?
C1' C2' B11' B7' -105.02(19) . . . . ?
C1' C2' B11' B10' -2.2(2) . . . . ?
C1' C2' B11' B12' -64.8(2) . . . . ?
C1' B3' B4' B5' 34.83(15) . . . . ?
C1' B3' B4' B8' 135.19(18) . . . . ?
C1' B3' B4' B9' 97.71(18) . . . . ?
C1' B3' B7' C2' 33.84(15) . . . . ?
C1' B3' B7' B8' -99.85(18) . . . . ?
C1' B3' B7' B11' 1.5(2) . . . . ?
C1' B3' B7' B12' -62.7(2) . . . . ?
C1' B3' B8' B4' -38.89(16) . . . . ?
C1' B3' B8' B7' 98.70(18) . . . . ?
C1' B3' B8' B9' -1.1(2) . . . . ?
C1' B3' B8' B12' 62.2(2) . . . . ?
C1' B4' B5' B6' 34.27(15) . . . . ?
C1' B4' B5' B9' 135.09(18) . . . . ?
C1' B4' B5' B10' 97.64(18) . . . . ?
C1' B4' B8' B3' 39.01(16) . . . . ?
C1' B4' B8' B7' 0.9(2) . . . . ?
C1' B4' B8' B9' -98.85(18) . . . . ?
C1' B4' B8' B12' -61.9(2) . . . . ?
C1' B4' B9' B5' -38.76(16) . . . . ?
C1' B4' B9' B8' 99.33(18) . . . . ?
C1' B4' B9' B10' -1.8(2) . . . . ?
C1' B4' B9' B12' 62.1(2) . . . . ?
C1' B5' B6' C2' 36.75(14) . . . . ?
C1' B5' B6' B10' 135.26(17) . . . . ?
C1' B5' B6' B11' 97.46(17) . . . . ?
C1' B5' B9' B4' 38.91(16) . . . . ?
C1' B5' B9' B8' 1.5(2) . . . . ?
C1' B5' B9' B10' -99.65(18) . . . . ?
C1' B5' B9' B12' -62.3(2) . . . . ?
C1' B5' B10' B6' -39.09(15) . . . . ?
C1' B5' B10' B9' 99.24(18) . . . . ?
C1' B5' B10' B11' -1.0(2) . . . . ?
C1' B5' B10' B12' 62.4(2) . . . . ?
C1' B6' B10' B5' 38.72(15) . . . . ?
C1' B6' B10' B9' 1.5(2) . . . . ?
C1' B6' B10' B11' -98.86(18) . . . . ?
C1' B6' B10' B12' -61.5(2) . . . . ?
C1' B6' B11' C2' -33.82(15) . . . . ?
C1' B6' B11' B7' -1.2(2) . . . . ?
C1' B6' B11' B10' 99.46(18) . . . . ?
C1' B6' B11' B12' 61.9(2) . . . . ?
C2' C1' B3' B4' -136.79(17) . . . . ?
C2' C1' B3' B7' -34.42(15) . . . . ?
C2' C1' B3' B8' -97.27(18) . . . . ?
C2' C1' B4' B3' 39.16(15) . . . . ?
C2' C1' B4' B5' -101.39(17) . . . . ?
C2' C1' B4' B8' 0.2(2) . . . . ?
C2' C1' B4' B9' -62.2(2) . . . . ?
C2' C1' B5' B4' 102.26(17) . . . . ?
C2' C1' B5' B6' -39.48(16) . . . . ?
C2' C1' B5' B9' 62.8(2) . . . . ?
C2' C1' B5' B10' -0.3(2) . . . . ?
C2' C1' B6' B5' 136.13(17) . . . . ?
C2' C1' B6' B10' 96.84(17) . . . . ?
C2' C1' B6' B11' 34.38(15) . . . . ?
C2' B3' B4' C1' -36.29(14) . . . . ?
C2' B3' B4' B5' -1.5(2) . . . . ?
C2' B3' B4' B8' 98.91(18) . . . . ?
C2' B3' B4' B9' 61.4(2) . . . . ?
C2' B3' B7' B8' -133.69(18) . . . . ?
C2' B3' B7' B11' -32.38(16) . . . . ?
C2' B3' B7' B12' -96.55(19) . . . . ?
C2' B3' B8' B4' -98.12(18) . . . . ?
C2' B3' B8' B7' 39.47(16) . . . . ?
C2' B3' B8' B9' -60.3(2) . . . . ?
C2' B3' B8' B12' 2.9(2) . . . . ?
C2' B6' B10' B5' 97.88(18) . . . . ?
C2' B6' B10' B9' 60.7(2) . . . . ?
C2' B6' B10' B11' -39.70(16) . . . . ?
C2' B6' B10' B12' -2.3(2) . . . . ?
C2' B6' B11' B7' 32.66(16) . . . . ?
C2' B6' B11' B10' 133.28(19) . . . . ?
C2' B6' B11' B12' 95.73(19) . . . . ?
C2' B7' B8' B3' -39.62(15) . . . . ?
C2' B7' B8' B4' -1.5(2) . . . . ?
C2' B7' B8' B9' 62.0(2) . . . . ?
C2' B7' B8' B12' 99.21(18) . . . . ?
C2' B7' B11' B6' -32.66(16) . . . . ?
C2' B7' B11' B10' -95.91(18) . . . . ?
C2' B7' B11' B12' -133.44(19) . . . . ?
C2' B7' B12' B8' -98.05(19) . . . . ?
C2' B7' B12' B9' -60.6(2) . . . . ?
C2' B7' B12' B10' 2.9(2) . . . . ?
C2' B7' B12' B11' 39.84(17) . . . . ?
C2' B11' B12' B7' -39.80(16) . . . . ?
C2' B11' B12' B8' -2.1(2) . . . . ?
C2' B11' B12' B9' 61.1(2) . . . . ?
C2' B11' B12' B10' 98.50(18) . . . . ?
B3' C1' C2' B6' 145.68(17) . . . . ?
B3' C1' C2' B7' 38.35(16) . . . . ?
B3' C1' C2' B11' 107.32(19) . . . . ?
B3' C1' B4' B5' -140.55(17) . . . . ?
B3' C1' B4' B8' -38.99(16) . . . . ?
B3' C1' B4' B9' -101.40(18) . . . . ?
B3' C1' B5' B4' 37.15(17) . . . . ?
B3' C1' B5' B6' -104.59(18) . . . . ?
B3' C1' B5' B9' -2.3(2) . . . . ?
B3' C1' B5' B10' -65.4(2) . . . . ?
B3' C1' B6' C2' -32.19(16) . . . . ?
B3' C1' B6' B5' 103.94(18) . . . . ?
B3' C1' B6' B10' 64.6(2) . . . . ?
B3' C1' B6' B11' 2.2(2) . . . . ?
B3' C2' B6' C1' 33.67(16) . . . . ?
B3' C2' B6' B5' -4.0(2) . . . . ?
B3' C2' B6' B10' -66.0(2) . . . . ?
B3' C2' B6' B11' -106.5(2) . . . . ?
B3' C2' B7' B8' 39.83(16) . . . . ?
B3' C2' B7' B11' 143.45(18) . . . . ?
B3' C2' B7' B12' 102.6(2) . . . . ?
B3' C2' B11' B6' 107.4(2) . . . . ?
B3' C2' B11' B7' -35.86(18) . . . . ?
B3' C2' B11' B10' 66.9(2) . . . . ?
B3' C2' B11' B12' 4.3(2) . . . . ?
B3' B4' B5' C1' -35.07(15) . . . . ?
B3' B4' B5' B6' -0.8(2) . . . . ?
B3' B4' B5' B9' 100.02(19) . . . . ?
B3' B4' B5' B10' 62.6(2) . . . . ?
B3' B4' B8' B7' -38.15(16) . . . . ?
B3' B4' B8' B9' -137.86(19) . . . . ?
B3' B4' B8' B12' -100.9(2) . . . . ?
B3' B4' B9' B5' -100.87(19) . . . . ?
B3' B4' B9' B8' 37.21(17) . . . . ?
B3' B4' B9' B10' -63.9(2) . . . . ?
B3' B4' B9' B12' -0.1(2) . . . . ?
B3' B7' B8' B4' 38.10(16) . . . . ?
B3' B7' B8' B9' 101.63(19) . . . . ?
B3' B7' B8' B12' 138.83(19) . . . . ?
B3' B7' B11' C2' 32.48(16) . . . . ?
B3' B7' B11' B6' -0.2(2) . . . . ?
B3' B7' B11' B10' -63.4(2) . . . . ?
B3' B7' B11' B12' -101.0(2) . . . . ?
B3' B7' B12' B8' -36.55(17) . . . . ?
B3' B7' B12' B9' 0.9(2) . . . . ?
B3' B7' B12' B10' 64.4(2) . . . . ?
B3' B7' B12' B11' 101.33(19) . . . . ?
B3' B8' B9' B4' -37.87(17) . . . . ?
B3' B8' B9' B5' -0.3(3) . . . . ?
B3' B8' B9' B10' 62.9(2) . . . . ?
B3' B8' B9' B12' 100.7(2) . . . . ?
B3' B8' B12' B7' 37.04(17) . . . . ?
B3' B8' B12' B9' -100.99(19) . . . . ?
B3' B8' B12' B10' -63.3(2) . . . . ?
B3' B8' B12' B11' -0.5(2) . . . . ?
B4' C1' C2' B3' -39.57(16) . . . . ?
B4' C1' C2' B6' 106.10(17) . . . . ?
B4' C1' C2' B7' -1.2(2) . . . . ?
B4' C1' C2' B11' 67.7(2) . . . . ?
B4' C1' B3' C2' 136.79(17) . . . . ?
B4' C1' B3' B7' 102.38(18) . . . . ?
B4' C1' B3' B8' 39.52(17) . . . . ?
B4' C1' B5' B6' -141.74(18) . . . . ?
B4' C1' B5' B9' -39.44(17) . . . . ?
B4' C1' B5' B10' -102.56(18) . . . . ?
B4' C1' B6' C2' -99.66(18) . . . . ?
B4' C1' B6' B5' 36.47(17) . . . . ?
B4' C1' B6' B10' -2.8(2) . . . . ?
B4' C1' B6' B11' -65.3(2) . . . . ?
B4' B3' B7' C2' 95.62(18) . . . . ?
B4' B3' B7' B8' -38.07(16) . . . . ?
B4' B3' B7' B11' 63.2(2) . . . . ?
B4' B3' B7' B12' -0.9(2) . . . . ?
B4' B3' B8' B7' 137.59(18) . . . . ?
B4' B3' B8' B9' 37.81(17) . . . . ?
B4' B3' B8' B12' 101.06(19) . . . . ?
B4' B5' B6' C1' -34.04(15) . . . . ?
B4' B5' B6' C2' 2.7(2) . . . . ?
B4' B5' B6' B10' 101.22(18) . . . . ?
B4' B5' B6' B11' 63.4(2) . . . . ?
B4' B5' B9' B8' -37.40(17) . . . . ?
B4' B5' B9' B10' -138.57(18) . . . . ?
B4' B5' B9' B12' -101.25(19) . . . . ?
B4' B5' B10' B6' -101.08(18) . . . . ?
B4' B5' B10' B9' 37.25(16) . . . . ?
B4' B5' B10' B11' -63.0(2) . . . . ?
B4' B5' B10' B12' 0.4(2) . . . . ?
B4' B8' B9' B5' 37.59(17) . . . . ?
B4' B8' B9' B10' 100.77(18) . . . . ?
B4' B8' B9' B12' 138.61(19) . . . . ?
B4' B8' B12' B7' 100.88(19) . . . . ?
B4' B8' B12' B9' -37.16(16) . . . . ?
B4' B8' B12' B10' 0.5(2) . . . . ?
B4' B8' B12' B11' 63.3(2) . . . . ?
B4' B9' B10' B5' -37.22(16) . . . . ?
B4' B9' B10' B6' 0.2(2) . . . . ?
B4' B9' B10' B11' 63.9(2) . . . . ?
B4' B9' B10' B12' 101.22(19) . . . . ?
B4' B9' B12' B7' -0.5(2) . . . . ?
B4' B9' B12' B8' 37.04(17) . . . . ?
B4' B9' B12' B10' -100.88(18) . . . . ?
B4' B9' B12' B11' -63.8(2) . . . . ?
B5' C1' C2' B3' -105.67(17) . . . . ?
B5' C1' C2' B6' 40.00(16) . . . . ?
B5' C1' C2' B7' -67.3(2) . . . . ?
B5' C1' C2' B11' 1.6(2) . . . . ?
B5' C1' B3' C2' 99.41(18) . . . . ?
B5' C1' B3' B4' -37.39(17) . . . . ?
B5' C1' B3' B7' 65.0(2) . . . . ?
B5' C1' B3' B8' 2.1(2) . . . . ?
B5' C1' B4' B3' 140.55(17) . . . . ?
B5' C1' B4' B8' 101.56(18) . . . . ?
B5' C1' B4' B9' 39.14(16) . . . . ?
B5' C1' B6' C2' -136.13(17) . . . . ?
B5' C1' B6' B10' -39.29(16) . . . . ?
B5' C1' B6' B11' -101.75(18) . . . . ?
B5' B4' B8' B3' 100.63(18) . . . . ?
B5' B4' B8' B7' 62.5(2) . . . . ?
B5' B4' B8' B9' -37.23(17) . . . . ?
B5' B4' B8' B12' -0.3(2) . . . . ?
B5' B4' B9' B8' 138.08(19) . . . . ?
B5' B4' B9' B10' 36.96(17) . . . . ?
B5' B4' B9' B12' 100.8(2) . . . . ?
B5' B6' B10' B9' -37.19(17) . . . . ?
B5' B6' B10' B11' -137.58(18) . . . . ?
B5' B6' B10' B12' -100.23(19) . . . . ?
B5' B6' B11' C2' -95.43(18) . . . . ?
B5' B6' B11' B7' -62.8(2) . . . . ?
B5' B6' B11' B10' 37.85(16) . . . . ?
B5' B6' B11' B12' 0.3(2) . . . . ?
B5' B9' B10' B6' 37.38(16) . . . . ?
B5' B9' B10' B11' 101.09(18) . . . . ?
B5' B9' B10' B12' 138.44(18) . . . . ?
B5' B9' B12' B7' 63.3(2) . . . . ?
B5' B9' B12' B8' 100.86(19) . . . . ?
B5' B9' B12' B10' -37.06(16) . . . . ?
B5' B9' B12' B11' 0.1(2) . . . . ?
B5' B10' B11' C2' 1.9(2) . . . . ?
B5' B10' B11' B6' -38.03(17) . . . . ?
B5' B10' B11' B7' 63.2(2) . . . . ?
B5' B10' B11' B12' 100.31(19) . . . . ?
B5' B10' B12' B7' -64.0(2) . . . . ?
B5' B10' B12' B8' -0.5(2) . . . . ?
B5' B10' B12' B9' 36.98(16) . . . . ?
B5' B10' B12' B11' -101.14(18) . . . . ?
B6' C1' C2' B3' -145.68(17) . . . . ?
B6' C1' C2' B7' -107.33(18) . . . . ?
B6' C1' C2' B11' -38.36(17) . . . . ?
B6' C1' B3' C2' 32.12(16) . . . . ?
B6' C1' B3' B4' -104.68(18) . . . . ?
B6' C1' B3' B7' -2.3(2) . . . . ?
B6' C1' B3' B8' -65.2(2) . . . . ?
B6' C1' B4' B3' 104.30(18) . . . . ?
B6' C1' B4' B5' -36.25(16) . . . . ?
B6' C1' B4' B8' 65.3(2) . . . . ?
B6' C1' B4' B9' 2.9(2) . . . . ?
B6' C1' B5' B4' 141.74(18) . . . . ?
B6' C1' B5' B9' 102.30(19) . . . . ?
B6' C1' B5' B10' 39.18(16) . . . . ?
B6' C2' B3' C1' -33.73(16) . . . . ?
B6' C2' B3' B4' 3.5(2) . . . . ?
B6' C2' B3' B7' 106.40(19) . . . . ?
B6' C2' B3' B8' 65.9(2) . . . . ?
B6' C2' B7' B3' -107.4(2) . . . . ?
B6' C2' B7' B8' -67.6(2) . . . . ?
B6' C2' B7' B11' 36.06(18) . . . . ?
B6' C2' B7' B12' -4.8(3) . . . . ?
B6' C2' B11' B7' -143.22(19) . . . . ?
B6' C2' B11' B10' -40.42(17) . . . . ?
B6' C2' B11' B12' -103.03(19) . . . . ?
B6' B5' B9' B4' 101.38(18) . . . . ?
B6' B5' B9' B8' 64.0(2) . . . . ?
B6' B5' B9' B10' -37.19(16) . . . . ?
B6' B5' B9' B12' 0.1(2) . . . . ?
B6' B5' B10' B9' 138.33(18) . . . . ?
B6' B5' B10' B11' 38.06(17) . . . . ?
B6' B5' B10' B12' 101.46(19) . . . . ?
B6' B10' B11' C2' 39.94(16) . . . . ?
B6' B10' B11' B7' 101.23(18) . . . . ?
B6' B10' B11' B12' 138.33(19) . . . . ?
B6' B10' B12' B7' -0.3(2) . . . . ?
B6' B10' B12' B8' 63.1(2) . . . . ?
B6' B10' B12' B9' 100.65(19) . . . . ?
B6' B10' B12' B11' -37.48(17) . . . . ?
B6' B11' B12' B7' -101.10(19) . . . . ?
B6' B11' B12' B8' -63.4(2) . . . . ?
B6' B11' B12' B9' -0.2(2) . . . . ?
B6' B11' B12' B10' 37.20(16) . . . . ?
B7' C2' B3' C1' -140.13(17) . . . . ?
B7' C2' B3' B4' -102.91(18) . . . . ?
B7' C2' B3' B8' -40.47(16) . . . . ?
B7' C2' B6' C1' 104.2(2) . . . . ?
B7' C2' B6' B5' 66.6(2) . . . . ?
B7' C2' B6' B10' 4.5(2) . . . . ?
B7' C2' B6' B11' -35.99(18) . . . . ?
B7' C2' B11' B6' 143.22(19) . . . . ?
B7' C2' B11' B10' 102.79(19) . . . . ?
B7' C2' B11' B12' 40.19(17) . . . . ?
B7' B3' B4' C1' -97.11(18) . . . . ?
B7' B3' B4' B5' -62.3(2) . . . . ?
B7' B3' B4' B8' 38.08(17) . . . . ?
B7' B3' B4' B9' 0.6(2) . . . . ?
B7' B3' B8' B4' -137.59(18) . . . . ?
B7' B3' B8' B9' -99.8(2) . . . . ?
B7' B3' B8' B12' -36.53(17) . . . . ?
B7' B8' B9' B4' -101.63(18) . . . . ?
B7' B8' B9' B5' -64.0(2) . . . . ?
B7' B8' B9' B10' -0.9(2) . . . . ?
B7' B8' B9' B12' 36.97(16) . . . . ?
B7' B8' B12' B9' -138.03(18) . . . . ?
B7' B8' B12' B10' -100.38(19) . . . . ?
B7' B8' B12' B11' -37.56(17) . . . . ?
B7' B11' B12' B8' 37.66(17) . . . . ?
B7' B11' B12' B9' 100.87(19) . . . . ?
B7' B11' B12' B10' 138.30(18) . . . . ?
B8' B3' B4' C1' -135.19(18) . . . . ?
B8' B3' B4' B5' -100.36(19) . . . . ?
B8' B3' B4' B9' -37.48(17) . . . . ?
B8' B3' B7' C2' 133.69(18) . . . . ?
B8' B3' B7' B11' 101.31(19) . . . . ?
B8' B3' B7' B12' 37.14(17) . . . . ?
B8' B4' B5' C1' -97.72(18) . . . . ?
B8' B4' B5' B6' -63.5(2) . . . . ?
B8' B4' B5' B9' 37.37(17) . . . . ?
B8' B4' B5' B10' -0.1(2) . . . . ?
B8' B4' B9' B5' -138.08(19) . . . . ?
B8' B4' B9' B10' -101.1(2) . . . . ?
B8' B4' B9' B12' -37.27(17) . . . . ?
B8' B7' B11' C2' 95.33(18) . . . . ?
B8' B7' B11' B6' 62.7(2) . . . . ?
B8' B7' B11' B10' -0.6(2) . . . . ?
B8' B7' B11' B12' -38.10(17) . . . . ?
B8' B7' B12' B9' 37.43(17) . . . . ?
B8' B7' B12' B10' 100.9(2) . . . . ?
B8' B7' B12' B11' 137.88(18) . . . . ?
B8' B9' B10' B5' -100.57(18) . . . . ?
B8' B9' B10' B6' -63.2(2) . . . . ?
B8' B9' B10' B11' 0.5(2) . . . . ?
B8' B9' B10' B12' 37.86(16) . . . . ?
B8' B9' B12' B7' -37.55(17) . . . . ?
B8' B9' B12' B10' -137.92(18) . . . . ?
B8' B9' B12' B11' -100.80(19) . . . . ?
B9' B4' B5' C1' -135.09(18) . . . . ?
B9' B4' B5' B6' -100.82(19) . . . . ?
B9' B4' B5' B10' -37.44(17) . . . . ?
B9' B4' B8' B3' 137.86(19) . . . . ?
B9' B4' B8' B7' 99.70(19) . . . . ?
B9' B4' B8' B12' 36.97(17) . . . . ?
B9' B5' B6' C1' -97.73(18) . . . . ?
B9' B5' B6' C2' -61.0(2) . . . . ?
B9' B5' B6' B10' 37.54(16) . . . . ?
B9' B5' B6' B11' -0.3(2) . . . . ?
B9' B5' B10' B6' -138.33(18) . . . . ?
B9' B5' B10' B11' -100.28(19) . . . . ?
B9' B5' B10' B12' -36.87(17) . . . . ?
B9' B8' B12' B7' 138.03(18) . . . . ?
B9' B8' B12' B10' 37.65(17) . . . . ?
B9' B8' B12' B11' 100.47(19) . . . . ?
B9' B10' B11' C2' -61.3(2) . . . . ?
B9' B10' B11' B6' -101.19(19) . . . . ?
B9' B10' B11' B7' 0.0(2) . . . . ?
B9' B10' B11' B12' 37.14(16) . . . . ?
B9' B10' B12' B7' -101.0(2) . . . . ?
B9' B10' B12' B8' -37.53(17) . . . . ?
B9' B10' B12' B11' -138.13(18) . . . . ?
B10' B5' B6' C1' -135.26(17) . . . . ?
B10' B5' B6' C2' -98.51(17) . . . . ?
B10' B5' B6' B11' -37.81(16) . . . . ?
B10' B5' B9' B4' 138.57(18) . . . . ?
B10' B5' B9' B8' 101.2(2) . . . . ?
B10' B5' B9' B12' 37.32(16) . . . . ?
B10' B6' B11' C2' -133.28(19) . . . . ?
B10' B6' B11' B7' -100.62(19) . . . . ?
B10' B6' B11' B12' -37.54(17) . . . . ?
B10' B9' B12' B7' 100.37(19) . . . . ?
B10' B9' B12' B8' 137.92(18) . . . . ?
B10' B9' B12' B11' 37.11(16) . . . . ?
B10' B11' B12' B7' -138.30(18) . . . . ?
B10' B11' B12' B8' -100.63(19) . . . . ?
B10' B11' B12' B9' -37.42(16) . . . . ?
B11' C2' B3' C1' -104.34(19) . . . . ?
B11' C2' B3' B4' -67.1(2) . . . . ?
B11' C2' B3' B7' 35.79(17) . . . . ?
B11' C2' B3' B8' -4.7(2) . . . . ?
B11' C2' B6' C1' 140.20(18) . . . . ?
B11' C2' B6' B5' 102.58(18) . . . . ?
B11' C2' B6' B10' 40.52(17) . . . . ?
B11' C2' B7' B3' -143.45(18) . . . . ?
B11' C2' B7' B8' -103.62(18) . . . . ?
B11' C2' B7' B12' -40.83(17) . . . . ?
B11' B6' B10' B5' 137.58(18) . . . . ?
B11' B6' B10' B9' 100.39(19) . . . . ?
B11' B6' B10' B12' 37.35(18) . . . . ?
B11' B7' B8' B3' -100.75(18) . . . . ?
B11' B7' B8' B4' -62.6(2) . . . . ?
B11' B7' B8' B9' 0.9(2) . . . . ?
B11' B7' B8' B12' 38.08(16) . . . . ?
B11' B7' B12' B8' -137.88(18) . . . . ?
B11' B7' B12' B9' -100.45(19) . . . . ?
B11' B7' B12' B10' -36.94(17) . . . . ?
B11' B10' B12' B7' 37.14(17) . . . . ?
B11' B10' B12' B8' 100.60(19) . . . . ?
B11' B10' B12' B9' 138.13(18) . . . . ?
B12' B7' B8' B3' -138.83(19) . . . . ?
B12' B7' B8' B4' -100.72(19) . . . . ?
B12' B7' B8' B9' -37.20(16) . . . . ?
B12' B7' B11' C2' 133.44(19) . . . . ?
B12' B7' B11' B6' 100.77(19) . . . . ?
B12' B7' B11' B10' 37.53(17) . . . . ?
B12' B8' B9' B4' -138.61(19) . . . . ?
B12' B8' B9' B5' -101.0(2) . . . . ?
B12' B8' B9' B10' -37.83(17) . . . . ?
B12' B9' B10' B5' -138.44(18) . . . . ?
B12' B9' B10' B6' -101.06(19) . . . . ?
B12' B9' B10' B11' -37.35(16) . . . . ?
B12' B10' B11' C2' -98.39(19) . . . . ?
B12' B10' B11' B6' -138.33(19) . . . . ?
B12' B10' B11' B7' -37.10(16) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.260 0.250 0.098 400.1 92.4 ?
2 0.000 0.500 0.000 25.0 2.0 ?
3 0.646 0.750 0.288 400.1 94.0 ?
4 0.500 0.000 0.500 25.0 2.0 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5029
_database_code_depnum_ccdc_archive 'CCDC 1492392'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2015-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C30 H45 B19 Ni P2, 0.5(C H2 Cl2), C0.25 H0.99 Cl0.99, 0.25(C1)'
_chemical_formula_sum            'C31 H47 B19 Cl2 Ni P2'
_chemical_formula_weight         816.62
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.2951(8)
_cell_length_b                   13.7359(10)
_cell_length_c                   16.4159(13)
_cell_angle_alpha                70.135(4)
_cell_angle_beta                 74.434(4)
_cell_angle_gamma                74.312(4)
_cell_volume                     2061.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      33.52
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   0.946
_shelx_estimated_absorpt_T_min   0.747
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0594 before and 0.0489 after correction.
The Ratio of minimum to maximum transmission is 0.9130.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            59426
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         33.989
_diffrn_reflns_theta_min         2.701
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12922
_reflns_number_total             16558
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.234
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         16558
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.030
_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)+(0.0455P)²+0.9777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1089
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
2. Shared sites
{C2S, Cl2S}
{C3S, Cl3S}
3. Uiso/Uaniso restraints and constraints
Uanis(C3S) = Uanis(Cl3S)
Uanis(C3S) = Uanis(C3T)
Uanis(C2S) = Uanis(Cl2S)
4. Others
 Sof(Cl2S)=Sof(H3SA)=Sof(H3SB)=Sof(Cl4S)=1-FVAR(1)
 Sof(C3S)=Sof(C3T)=0.5*(1-FVAR(2))
 Sof(Cl1S)=Sof(C2S)=Sof(H2SA)=Sof(H2SB)=Sof(Cl3S)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C201(H20A,H20B), C2S(H2SA,H2SB), C3S(H3SA,H3SB)
5.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C114(H114), C115(H115), C116(H116), C122(H122),
 C123(H123), C124(H124), C125(H125), C126(H126), C212(H212), C213(H213),
 C214(H214), C215(H215), C216(H216), C222(H222), C223(H223), C224(H224),
 C225(H225), C226(H226)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.00092(13) 0.16177(10) 0.31968(9) 0.0127(2) Uani 1 1 d . . . . .
H1 H 0.0442(18) 0.1349(14) 0.3686(12) 0.015 Uiso 1 1 d R . . . .
P1 P 0.29358(3) 0.25233(3) 0.20714(2) 0.01208(7) Uani 1 1 d . . . . .
C2 C -0.15189(13) 0.23587(10) 0.34256(9) 0.0116(2) Uani 1 1 d . . . . .
P2 P 0.26275(3) 0.12842(3) 0.09965(2) 0.01159(7) Uani 1 1 d . . . . .
B3 B -0.02120(15) 0.29814(12) 0.26111(10) 0.0122(3) Uani 1 1 d . . . . .
H3 H 0.0136(18) 0.3466(14) 0.2876(12) 0.015 Uiso 1 1 d R . . . .
Ni4 Ni 0.11861(2) 0.20355(2) 0.19227(2) 0.01051(4) Uani 1 1 d . . . . .
B5 B -0.00251(16) 0.08980(12) 0.25679(11) 0.0142(3) Uani 1 1 d . . . . .
H5 H 0.0497(19) 0.0088(14) 0.2695(12) 0.017 Uiso 1 1 d R . . . .
B6 B -0.14601(16) 0.10924(12) 0.34297(11) 0.0137(3) Uani 1 1 d . . . . .
H6 H -0.1675(19) 0.0549(14) 0.4045(12) 0.016 Uiso 1 1 d R . . . .
B7 B -0.19897(15) 0.33189(12) 0.24962(10) 0.0131(3) Uani 1 1 d . . . . .
H7 H -0.2610(18) 0.4070(14) 0.2589(12) 0.016 Uiso 1 1 d R . . . .
B8 B -0.06585(15) 0.31663(12) 0.15888(10) 0.0131(3) Uani 1 1 d . . . . .
H8 H -0.0596(18) 0.3892(14) 0.1047(12) 0.016 Uiso 1 1 d R . . . .
B9 B -0.04704(15) 0.18624(13) 0.15165(11) 0.0144(3) Uani 1 1 d . . . . .
H9 H -0.0247(19) 0.1663(14) 0.0921(12) 0.017 Uiso 1 1 d R . . . .
B10 B -0.17368(16) 0.12256(13) 0.23824(11) 0.0155(3) Uani 1 1 d . . . . .
H10 H -0.2198(19) 0.0678(14) 0.2295(12) 0.019 Uiso 1 1 d R . . . .
B11 B -0.27200(15) 0.21553(12) 0.29703(11) 0.0140(3) Uani 1 1 d . . . . .
H11 H -0.3786(19) 0.2236(14) 0.3317(12) 0.017 Uiso 1 1 d R . . . .
B12 B -0.21399(15) 0.26133(13) 0.18189(11) 0.0150(3) Uani 1 1 d . . . . .
H12 H -0.2898(19) 0.2899(14) 0.1398(12) 0.018 Uiso 1 1 d R . . . .
C101 C 0.45613(14) 0.17343(11) 0.15950(10) 0.0163(3) Uani 1 1 d . . . . .
H10A H 0.5016 0.2192 0.1043 0.020 Uiso 1 1 calc R . . . .
H10B H 0.5196 0.1458 0.2017 0.020 Uiso 1 1 calc R . . . .
C111 C 0.31518(14) 0.38775(11) 0.15276(9) 0.0143(2) Uani 1 1 d . . . . .
C112 C 0.43021(15) 0.42021(12) 0.15784(11) 0.0190(3) Uani 1 1 d . . . . .
H112 H 0.4934 0.3725 0.1931 0.023 Uiso 1 1 calc R . . . .
C113 C 0.45206(16) 0.52180(12) 0.11148(11) 0.0218(3) Uani 1 1 d . . . . .
H113 H 0.5304 0.5433 0.1147 0.026 Uiso 1 1 calc R . . . .
C114 C 0.35912(17) 0.59161(12) 0.06049(11) 0.0220(3) Uani 1 1 d . . . . .
H114 H 0.3739 0.6611 0.0289 0.026 Uiso 1 1 calc R . . . .
C115 C 0.24462(17) 0.56067(12) 0.05539(11) 0.0222(3) Uani 1 1 d . . . . .
H115 H 0.1813 0.6090 0.0205 0.027 Uiso 1 1 calc R . . . .
C116 C 0.22232(15) 0.45878(11) 0.10133(10) 0.0181(3) Uani 1 1 d . . . . .
H116 H 0.1440 0.4377 0.0976 0.022 Uiso 1 1 calc R . . . .
C121 C 0.30660(14) 0.22880(11) 0.32127(10) 0.0150(2) Uani 1 1 d . . . . .
C122 C 0.33376(15) 0.12435(12) 0.37472(11) 0.0201(3) Uani 1 1 d . . . . .
H122 H 0.3463 0.0676 0.3509 0.024 Uiso 1 1 calc R . . . .
C123 C 0.34246(17) 0.10316(14) 0.46246(11) 0.0248(3) Uani 1 1 d . . . . .
H123 H 0.3616 0.0322 0.4981 0.030 Uiso 1 1 calc R . . . .
C124 C 0.32315(18) 0.18560(15) 0.49796(11) 0.0282(4) Uani 1 1 d . . . . .
H124 H 0.3291 0.1711 0.5578 0.034 Uiso 1 1 calc R . . . .
C125 C 0.29519(19) 0.28920(15) 0.44576(12) 0.0289(4) Uani 1 1 d . . . . .
H125 H 0.2822 0.3456 0.4701 0.035 Uiso 1 1 calc R . . . .
C126 C 0.28601(17) 0.31111(13) 0.35787(11) 0.0212(3) Uani 1 1 d . . . . .
H126 H 0.2657 0.3823 0.3228 0.025 Uiso 1 1 calc R . . . .
C201 C 0.42549(14) 0.08116(11) 0.13999(10) 0.0152(2) Uani 1 1 d . . . . .
H20A H 0.4173 0.0211 0.1943 0.018 Uiso 1 1 calc R . . . .
H20B H 0.5008 0.0572 0.0947 0.018 Uiso 1 1 calc R . . . .
C211 C 0.30277(14) 0.21939(11) -0.01017(9) 0.0142(2) Uani 1 1 d . . . . .
C212 C 0.42693(16) 0.19773(12) -0.06779(11) 0.0218(3) Uani 1 1 d . . . . .
H212 H 0.4959 0.1387 -0.0478 0.026 Uiso 1 1 calc R . . . .
C213 C 0.45006(16) 0.26215(13) -0.15424(11) 0.0235(3) Uani 1 1 d . . . . .
H213 H 0.5345 0.2466 -0.1931 0.028 Uiso 1 1 calc R . . . .
C214 C 0.35041(16) 0.34904(12) -0.18403(10) 0.0203(3) Uani 1 1 d . . . . .
H214 H 0.3662 0.3925 -0.2433 0.024 Uiso 1 1 calc R . . . .
C215 C 0.22774(16) 0.37222(12) -0.12697(10) 0.0217(3) Uani 1 1 d . . . . .
H215 H 0.1599 0.4322 -0.1470 0.026 Uiso 1 1 calc R . . . .
C216 C 0.20367(15) 0.30771(12) -0.04032(10) 0.0185(3) Uani 1 1 d . . . . .
H216 H 0.1194 0.3239 -0.0016 0.022 Uiso 1 1 calc R . . . .
C221 C 0.23184(14) 0.01719(10) 0.07565(9) 0.0138(2) Uani 1 1 d . . . . .
C222 C 0.20481(17) 0.02895(12) -0.00646(10) 0.0200(3) Uani 1 1 d . . . . .
H222 H 0.2075 0.0942 -0.0515 0.024 Uiso 1 1 calc R . . . .
C223 C 0.17393(18) -0.05451(13) -0.02265(11) 0.0238(3) Uani 1 1 d . . . . .
H223 H 0.1559 -0.0461 -0.0787 0.029 Uiso 1 1 calc R . . . .
C224 C 0.16932(17) -0.14992(12) 0.04285(12) 0.0230(3) Uani 1 1 d . . . . .
H224 H 0.1472 -0.2065 0.0319 0.028 Uiso 1 1 calc R . . . .
C225 C 0.19709(17) -0.16258(12) 0.12460(12) 0.0225(3) Uani 1 1 d . . . . .
H225 H 0.1949 -0.2281 0.1693 0.027 Uiso 1 1 calc R . . . .
C226 C 0.22806(15) -0.07959(11) 0.14105(10) 0.0179(3) Uani 1 1 d . . . . .
H226 H 0.2468 -0.0886 0.1970 0.021 Uiso 1 1 calc R . . . .
C1' C -0.19433(13) 0.25772(10) 0.43216(9) 0.0127(2) Uani 1 1 d . . . . .
C2' C -0.19218(16) 0.37820(13) 0.43543(11) 0.0210(3) Uani 1 1 d . . . . .
H2' H -0.156(2) 0.4329(16) 0.3725(14) 0.025 Uiso 1 1 d R . . . .
B3' B -0.34945(16) 0.34240(13) 0.45401(11) 0.0164(3) Uani 1 1 d . . . . .
H3' H -0.4067(19) 0.3764(14) 0.4048(13) 0.020 Uiso 1 1 d R . . . .
B4' B -0.32427(17) 0.20562(13) 0.51262(11) 0.0169(3) Uani 1 1 d . . . . .
H4' H -0.3734(19) 0.1568(15) 0.4981(13) 0.020 Uiso 1 1 d R . . . .
B5' B -0.14992(18) 0.16154(13) 0.52609(11) 0.0187(3) Uani 1 1 d . . . . .
H5' H -0.095(2) 0.0861(15) 0.5204(13) 0.022 Uiso 1 1 d R . . . .
B6' B -0.07134(16) 0.27185(13) 0.47687(11) 0.0149(3) Uani 1 1 d . . . . .
H6' H 0.015(2) 0.2661(14) 0.4453(12) 0.018 Uiso 1 1 d R . . . .
B7' B -0.31960(18) 0.41172(14) 0.51897(12) 0.0201(3) Uani 1 1 d . . . . .
H7' H -0.366(2) 0.4919(15) 0.5113(13) 0.024 Uiso 1 1 d R . . . .
B8' B -0.40422(19) 0.30224(15) 0.56997(12) 0.0229(3) Uani 1 1 d . . . . .
H8' H -0.513(2) 0.3145(16) 0.5979(13) 0.027 Uiso 1 1 d R . . . .
B9' B -0.2812(2) 0.19068(16) 0.61420(12) 0.0246(4) Uani 1 1 d . . . . .
H9' H -0.309(2) 0.1271(16) 0.6700(14) 0.030 Uiso 1 1 d R . . . .
B10' B -0.1208(2) 0.23101(15) 0.59137(13) 0.0232(3) Uani 1 1 d . . . . .
H10' H -0.044(2) 0.1950(16) 0.6294(14) 0.028 Uiso 1 1 d R . . . .
B11' B -0.14524(18) 0.36760(14) 0.53219(12) 0.0199(3) Uani 1 1 d . . . . .
H11' H -0.086(2) 0.4204(15) 0.5306(13) 0.024 Uiso 1 1 d R . . . .
B12' B -0.2783(2) 0.31783(16) 0.61911(12) 0.0248(4) Uani 1 1 d . . . . .
H12' H -0.301(2) 0.3395(16) 0.6796(14) 0.030 Uiso 1 1 d R . . . .
Cl1S Cl 0.32811(11) 0.13277(8) 0.74256(7) 0.0384(3) Uani 0.5038(14) 1 d . . P A
1
C2S C 0.16384(11) 0.18519(8) 0.74953(7) 0.0505(3) Uani 0.5038(14) 1 d . . P A 1
H2SA H 0.1227 0.1810 0.8122 0.061 Uiso 0.5038(14) 1 calc R . P A 1
H2SB H 0.1201 0.1415 0.7319 0.061 Uiso 0.5038(14) 1 calc R . P A 1
Cl2S Cl 0.16384(11) 0.18519(8) 0.74953(7) 0.0505(3) Uani 0.4962(14) 1 d . . P A
2
C3S C 0.12131(14) 0.31790(10) 0.68554(9) 0.0610(4) Uani 0.2481(7) 1 d . . P A 2
H3SA H 0.2041 0.3494 0.6683 0.073 Uiso 0.4962(14) 1 calc R . P A 2
H3SB H 0.0988 0.3178 0.6306 0.073 Uiso 0.4962(14) 1 calc R . P A 2
Cl3S Cl 0.12131(14) 0.31790(10) 0.68554(9) 0.0610(4) Uani 0.5038(14) 1 d . . P
A 1
Cl4S Cl -0.01004(15) 0.39717(11) 0.73330(11) 0.0614(4) Uani 0.4962(14) 1 d . .
P A 2
C3T C 0.1345(14) 0.3765(10) 0.6601(9) 0.0610(4) Uani 0.2481(7) 1 d . . P A 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 0.951(18) . ?
C1 C2 1.6381(17) . ?
C1 B3 1.775(2) . ?
C1 Ni4 2.0983(14) . ?
C1 B5 1.660(2) . ?
C1 B6 1.728(2) . ?
P1 Ni4 2.1802(4) . ?
P1 C101 1.8652(14) . ?
P1 C111 1.8152(14) . ?
P1 C121 1.8255(15) . ?
C2 B3 1.791(2) . ?
C2 B6 1.722(2) . ?
C2 B7 1.728(2) . ?
C2 B11 1.729(2) . ?
C2 C1' 1.5260(19) . ?
P2 Ni4 2.1462(4) . ?
P2 C201 1.8391(14) . ?
P2 C211 1.8248(15) . ?
P2 C221 1.8248(14) . ?
B3 H3 1.081(18) . ?
B3 Ni4 2.0373(14) . ?
B3 B7 1.807(2) . ?
B3 B8 1.776(2) . ?
Ni4 B5 2.0827(16) . ?
Ni4 B8 2.1690(15) . ?
Ni4 B9 2.0848(16) . ?
B5 H5 1.072(18) . ?
B5 B6 1.782(2) . ?
B5 B9 1.867(2) . ?
B5 B10 1.780(2) . ?
B6 H6 1.040(18) . ?
B6 B10 1.758(2) . ?
B6 B11 1.771(2) . ?
B7 H7 1.092(17) . ?
B7 B8 1.761(2) . ?
B7 B11 1.793(2) . ?
B7 B12 1.762(2) . ?
B8 H8 1.091(18) . ?
B8 B9 1.790(2) . ?
B8 B12 1.780(2) . ?
B9 H9 1.055(18) . ?
B9 B10 1.806(2) . ?
B9 B12 1.788(2) . ?
B10 H10 1.056(19) . ?
B10 B11 1.789(2) . ?
B10 B12 1.800(2) . ?
B11 H11 1.088(18) . ?
B11 B12 1.765(2) . ?
B12 H12 1.086(19) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C201 1.535(2) . ?
C111 C112 1.404(2) . ?
C111 C116 1.396(2) . ?
C112 H112 0.9500 . ?
C112 C113 1.390(2) . ?
C113 H113 0.9500 . ?
C113 C114 1.387(2) . ?
C114 H114 0.9500 . ?
C114 C115 1.387(2) . ?
C115 H115 0.9500 . ?
C115 C116 1.394(2) . ?
C116 H116 0.9500 . ?
C121 C122 1.402(2) . ?
C121 C126 1.396(2) . ?
C122 H122 0.9500 . ?
C122 C123 1.392(2) . ?
C123 H123 0.9500 . ?
C123 C124 1.388(3) . ?
C124 H124 0.9500 . ?
C124 C125 1.387(3) . ?
C125 H125 0.9500 . ?
C125 C126 1.394(2) . ?
C126 H126 0.9500 . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C211 C212 1.3979(19) . ?
C211 C216 1.3969(19) . ?
C212 H212 0.9500 . ?
C212 C213 1.390(2) . ?
C213 H213 0.9500 . ?
C213 C214 1.388(2) . ?
C214 H214 0.9500 . ?
C214 C215 1.387(2) . ?
C215 H215 0.9500 . ?
C215 C216 1.394(2) . ?
C216 H216 0.9500 . ?
C221 C222 1.396(2) . ?
C221 C226 1.399(2) . ?
C222 H222 0.9500 . ?
C222 C223 1.391(2) . ?
C223 H223 0.9500 . ?
C223 C224 1.387(2) . ?
C224 H224 0.9500 . ?
C224 C225 1.390(2) . ?
C225 H225 0.9500 . ?
C225 C226 1.388(2) . ?
C226 H226 0.9500 . ?
C1' C2' 1.680(2) . ?
C1' B3' 1.733(2) . ?
C1' B4' 1.724(2) . ?
C1' B5' 1.732(2) . ?
C1' B6' 1.705(2) . ?
C2' H2' 1.09(2) . ?
C2' B3' 1.738(2) . ?
C2' B6' 1.715(2) . ?
C2' B7' 1.718(2) . ?
C2' B11' 1.731(2) . ?
B3' H3' 1.033(19) . ?
B3' B4' 1.779(2) . ?
B3' B7' 1.778(2) . ?
B3' B8' 1.768(2) . ?
B4' H4' 1.059(19) . ?
B4' B5' 1.781(2) . ?
B4' B8' 1.780(2) . ?
B4' B9' 1.770(3) . ?
B5' H5' 1.061(19) . ?
B5' B6' 1.756(2) . ?
B5' B9' 1.769(3) . ?
B5' B10' 1.781(3) . ?
B6' H6' 0.895(19) . ?
B6' B10' 1.741(3) . ?
B6' B11' 1.742(2) . ?
B7' H7' 1.05(2) . ?
B7' B8' 1.784(3) . ?
B7' B11' 1.780(3) . ?
B7' B12' 1.784(3) . ?
B8' H8' 1.08(2) . ?
B8' B9' 1.780(3) . ?
B8' B12' 1.790(3) . ?
B9' H9' 1.06(2) . ?
B9' B10' 1.788(3) . ?
B9' B12' 1.784(3) . ?
B10' H10' 1.05(2) . ?
B10' B11' 1.779(3) . ?
B10' B12' 1.785(3) . ?
B11' H11' 1.05(2) . ?
B11' B12' 1.782(3) . ?
B12' H12' 1.08(2) . ?
Cl1S C2S 1.6387(15) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C2S Cl3S 1.7698(16) . ?
Cl2S C3S 1.7698(16) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S Cl4S 1.6863(19) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 111.5(11) . . ?
C2 C1 B3 63.18(8) . . ?
C2 C1 Ni4 119.07(9) . . ?
C2 C1 B5 111.85(11) . . ?
C2 C1 B6 61.45(8) . . ?
B3 C1 H1 119.7(11) . . ?
B3 C1 Ni4 62.82(6) . . ?
Ni4 C1 H1 118.4(11) . . ?
B5 C1 H1 123.4(11) . . ?
B5 C1 B3 111.52(11) . . ?
B5 C1 Ni4 66.12(7) . . ?
B5 C1 B6 63.45(9) . . ?
B6 C1 H1 110.7(11) . . ?
B6 C1 B3 114.67(10) . . ?
B6 C1 Ni4 122.94(9) . . ?
C101 P1 Ni4 109.19(5) . . ?
C111 P1 Ni4 118.85(5) . . ?
C111 P1 C101 103.36(6) . . ?
C111 P1 C121 104.57(7) . . ?
C121 P1 Ni4 114.70(5) . . ?
C121 P1 C101 104.75(7) . . ?
C1 C2 B3 62.13(8) . . ?
C1 C2 B6 61.85(8) . . ?
C1 C2 B7 112.07(10) . . ?
C1 C2 B11 111.25(10) . . ?
B6 C2 B3 114.14(10) . . ?
B6 C2 B7 113.90(11) . . ?
B6 C2 B11 61.74(9) . . ?
B7 C2 B3 61.77(8) . . ?
B7 C2 B11 62.50(9) . . ?
B11 C2 B3 112.94(10) . . ?
C1' C2 C1 118.17(11) . . ?
C1' C2 B3 118.65(11) . . ?
C1' C2 B6 116.53(11) . . ?
C1' C2 B7 120.55(10) . . ?
C1' C2 B11 120.17(11) . . ?
C201 P2 Ni4 106.25(5) . . ?
C211 P2 Ni4 113.31(4) . . ?
C211 P2 C201 105.19(7) . . ?
C211 P2 C221 102.64(6) . . ?
C221 P2 Ni4 122.07(5) . . ?
C221 P2 C201 106.07(6) . . ?
C1 B3 C2 54.69(7) . . ?
C1 B3 H3 116.0(9) . . ?
C1 B3 Ni4 66.38(6) . . ?
C1 B3 B7 102.42(10) . . ?
C1 B3 B8 108.49(10) . . ?
C2 B3 H3 109.5(10) . . ?
C2 B3 Ni4 114.85(8) . . ?
C2 B3 B7 57.38(8) . . ?
Ni4 B3 H3 119.8(9) . . ?
B7 B3 H3 118.0(9) . . ?
B7 B3 Ni4 119.49(9) . . ?
B8 B3 C2 104.28(10) . . ?
B8 B3 H3 134.3(9) . . ?
B8 B3 Ni4 68.94(7) . . ?
B8 B3 B7 58.88(8) . . ?
C1 Ni4 P1 105.65(4) . . ?
C1 Ni4 P2 139.08(4) . . ?
C1 Ni4 B8 84.92(5) . . ?
P2 Ni4 P1 86.235(15) . . ?
P2 Ni4 B8 122.31(4) . . ?
B3 Ni4 C1 50.80(6) . . ?
B3 Ni4 P1 93.32(4) . . ?
B3 Ni4 P2 169.72(4) . . ?
B3 Ni4 B5 87.14(6) . . ?
B3 Ni4 B8 49.83(6) . . ?
B3 Ni4 B9 86.75(6) . . ?
B5 Ni4 C1 46.78(6) . . ?
B5 Ni4 P1 140.03(5) . . ?
B5 Ni4 P2 99.80(4) . . ?
B5 Ni4 B8 88.31(6) . . ?
B5 Ni4 B9 53.23(6) . . ?
B8 Ni4 P1 121.73(4) . . ?
B9 Ni4 C1 84.64(6) . . ?
B9 Ni4 P1 166.74(5) . . ?
B9 Ni4 P2 91.33(4) . . ?
B9 Ni4 B8 49.72(6) . . ?
C1 B5 Ni4 67.11(7) . . ?
C1 B5 H5 120.7(10) . . ?
C1 B5 B6 60.15(9) . . ?
C1 B5 B9 105.84(10) . . ?
C1 B5 B10 105.74(10) . . ?
Ni4 B5 H5 116.9(10) . . ?
B6 B5 Ni4 120.95(9) . . ?
B6 B5 H5 111.7(10) . . ?
B6 B5 B9 107.17(10) . . ?
B9 B5 Ni4 63.44(7) . . ?
B9 B5 H5 129.7(10) . . ?
B10 B5 Ni4 117.11(10) . . ?
B10 B5 H5 118.5(10) . . ?
B10 B5 B6 59.16(9) . . ?
B10 B5 B9 59.32(9) . . ?
C1 B6 B5 56.40(8) . . ?
C1 B6 H6 117.4(10) . . ?
C1 B6 B10 103.77(11) . . ?
C1 B6 B11 105.21(10) . . ?
C2 B6 C1 56.70(8) . . ?
C2 B6 B5 102.43(10) . . ?
C2 B6 H6 116.6(10) . . ?
C2 B6 B10 104.89(11) . . ?
C2 B6 B11 59.34(8) . . ?
B5 B6 H6 125.9(10) . . ?
B10 B6 B5 60.34(9) . . ?
B10 B6 H6 132.6(10) . . ?
B10 B6 B11 60.93(9) . . ?
B11 B6 B5 108.52(11) . . ?
B11 B6 H6 123.0(10) . . ?
C2 B7 B3 60.84(8) . . ?
C2 B7 H7 116.8(10) . . ?
C2 B7 B8 107.63(10) . . ?
C2 B7 B11 58.79(8) . . ?
C2 B7 B12 104.78(11) . . ?
B3 B7 H7 118.6(10) . . ?
B8 B7 B3 59.66(8) . . ?
B8 B7 H7 125.6(9) . . ?
B8 B7 B11 109.68(11) . . ?
B8 B7 B12 60.68(9) . . ?
B11 B7 B3 109.20(10) . . ?
B11 B7 H7 119.3(9) . . ?
B12 B7 B3 107.25(10) . . ?
B12 B7 H7 128.6(10) . . ?
B12 B7 B11 59.51(9) . . ?
B3 B8 Ni4 61.23(6) . . ?
B3 B8 H8 122.1(10) . . ?
B3 B8 B9 105.13(11) . . ?
B3 B8 B12 107.87(11) . . ?
Ni4 B8 H8 120.9(9) . . ?
B7 B8 B3 61.46(9) . . ?
B7 B8 Ni4 115.06(9) . . ?
B7 B8 H8 113.8(9) . . ?
B7 B8 B9 107.29(11) . . ?
B7 B8 B12 59.68(9) . . ?
B9 B8 Ni4 62.70(7) . . ?
B9 B8 H8 127.7(10) . . ?
B12 B8 Ni4 115.00(9) . . ?
B12 B8 H8 117.2(10) . . ?
B12 B8 B9 60.11(9) . . ?
Ni4 B9 H9 116.6(10) . . ?
B5 B9 Ni4 63.33(7) . . ?
B5 B9 H9 122.9(10) . . ?
B8 B9 Ni4 67.59(7) . . ?
B8 B9 B5 108.20(11) . . ?
B8 B9 H9 124.7(10) . . ?
B8 B9 B10 108.33(11) . . ?
B10 B9 Ni4 115.77(10) . . ?
B10 B9 B5 57.92(9) . . ?
B10 B9 H9 115.5(10) . . ?
B12 B9 Ni4 118.82(10) . . ?
B12 B9 B5 105.78(11) . . ?
B12 B9 B8 59.67(9) . . ?
B12 B9 H9 117.8(10) . . ?
B12 B9 B10 60.12(9) . . ?
B5 B10 B9 62.75(9) . . ?
B5 B10 H10 122.3(10) . . ?
B5 B10 B11 107.83(11) . . ?
B5 B10 B12 109.03(11) . . ?
B6 B10 B5 60.50(9) . . ?
B6 B10 B9 110.98(11) . . ?
B6 B10 H10 120.4(10) . . ?
B6 B10 B11 59.88(9) . . ?
B6 B10 B12 108.06(11) . . ?
B9 B10 H10 121.6(10) . . ?
B11 B10 B9 107.47(11) . . ?
B11 B10 H10 120.9(10) . . ?
B11 B10 B12 58.90(9) . . ?
B12 B10 B9 59.43(9) . . ?
B12 B10 H10 121.3(10) . . ?
C2 B11 B6 58.92(8) . . ?
C2 B11 B7 58.72(8) . . ?
C2 B11 B10 103.27(10) . . ?
C2 B11 H11 118.4(10) . . ?
C2 B11 B12 104.61(10) . . ?
B6 B11 B7 108.44(10) . . ?
B6 B11 B10 59.19(9) . . ?
B6 B11 H11 120.0(10) . . ?
B7 B11 H11 118.1(9) . . ?
B10 B11 B7 107.10(11) . . ?
B10 B11 H11 129.5(10) . . ?
B12 B11 B6 109.10(11) . . ?
B12 B11 B7 59.37(9) . . ?
B12 B11 B10 60.87(9) . . ?
B12 B11 H11 126.2(10) . . ?
B7 B12 B8 59.64(9) . . ?
B7 B12 B9 107.35(11) . . ?
B7 B12 B10 107.97(11) . . ?
B7 B12 B11 61.12(9) . . ?
B7 B12 H12 122.8(10) . . ?
B8 B12 B9 60.22(8) . . ?
B8 B12 B10 109.04(11) . . ?
B8 B12 H12 123.3(10) . . ?
B9 B12 B10 60.45(9) . . ?
B9 B12 H12 122.4(10) . . ?
B10 B12 H12 119.5(10) . . ?
B11 B12 B8 110.15(11) . . ?
B11 B12 B9 109.37(11) . . ?
B11 B12 B10 60.23(9) . . ?
B11 B12 H12 118.1(10) . . ?
P1 C101 H10A 109.6 . . ?
P1 C101 H10B 109.6 . . ?
H10A C101 H10B 108.1 . . ?
C201 C101 P1 110.28(9) . . ?
C201 C101 H10A 109.6 . . ?
C201 C101 H10B 109.6 . . ?
C112 C111 P1 120.13(11) . . ?
C116 C111 P1 120.42(11) . . ?
C116 C111 C112 119.35(13) . . ?
C111 C112 H112 119.8 . . ?
C113 C112 C111 120.35(14) . . ?
C113 C112 H112 119.8 . . ?
C112 C113 H113 120.1 . . ?
C114 C113 C112 119.75(14) . . ?
C114 C113 H113 120.1 . . ?
C113 C114 H114 119.8 . . ?
C113 C114 C115 120.43(14) . . ?
C115 C114 H114 119.8 . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.18(15) . . ?
C116 C115 H115 119.9 . . ?
C111 C116 H116 120.0 . . ?
C115 C116 C111 119.95(14) . . ?
C115 C116 H116 120.0 . . ?
C122 C121 P1 118.75(11) . . ?
C126 C121 P1 122.27(11) . . ?
C126 C121 C122 118.95(14) . . ?
C121 C122 H122 119.8 . . ?
C123 C122 C121 120.48(15) . . ?
C123 C122 H122 119.8 . . ?
C122 C123 H123 119.9 . . ?
C124 C123 C122 120.10(16) . . ?
C124 C123 H123 119.9 . . ?
C123 C124 H124 120.1 . . ?
C125 C124 C123 119.82(16) . . ?
C125 C124 H124 120.1 . . ?
C124 C125 H125 119.8 . . ?
C124 C125 C126 120.45(16) . . ?
C126 C125 H125 119.8 . . ?
C121 C126 H126 119.9 . . ?
C125 C126 C121 120.19(15) . . ?
C125 C126 H126 119.9 . . ?
P2 C201 H20A 110.2 . . ?
P2 C201 H20B 110.2 . . ?
C101 C201 P2 107.55(9) . . ?
C101 C201 H20A 110.2 . . ?
C101 C201 H20B 110.2 . . ?
H20A C201 H20B 108.5 . . ?
C212 C211 P2 121.07(11) . . ?
C216 C211 P2 119.73(11) . . ?
C216 C211 C212 118.99(13) . . ?
C211 C212 H212 119.8 . . ?
C213 C212 C211 120.35(14) . . ?
C213 C212 H212 119.8 . . ?
C212 C213 H213 119.8 . . ?
C214 C213 C212 120.31(14) . . ?
C214 C213 H213 119.8 . . ?
C213 C214 H214 120.1 . . ?
C215 C214 C213 119.79(14) . . ?
C215 C214 H214 120.1 . . ?
C214 C215 H215 119.9 . . ?
C214 C215 C216 120.18(14) . . ?
C216 C215 H215 119.9 . . ?
C211 C216 H216 119.8 . . ?
C215 C216 C211 120.36(13) . . ?
C215 C216 H216 119.8 . . ?
C222 C221 P2 120.59(11) . . ?
C222 C221 C226 119.13(13) . . ?
C226 C221 P2 120.20(11) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 C221 120.27(14) . . ?
C223 C222 H222 119.9 . . ?
C222 C223 H223 119.9 . . ?
C224 C223 C222 120.18(15) . . ?
C224 C223 H223 119.9 . . ?
C223 C224 H224 120.0 . . ?
C223 C224 C225 119.93(15) . . ?
C225 C224 H224 120.0 . . ?
C224 C225 H225 119.9 . . ?
C226 C225 C224 120.10(15) . . ?
C226 C225 H225 119.9 . . ?
C221 C226 H226 119.8 . . ?
C225 C226 C221 120.38(14) . . ?
C225 C226 H226 119.8 . . ?
C2 C1' C2' 118.09(11) . . ?
C2 C1' B3' 118.28(11) . . ?
C2 C1' B4' 121.70(11) . . ?
C2 C1' B5' 121.01(11) . . ?
C2 C1' B6' 118.71(11) . . ?
C2' C1' B3' 61.19(9) . . ?
C2' C1' B4' 110.77(11) . . ?
C2' C1' B5' 110.89(11) . . ?
C2' C1' B6' 60.86(9) . . ?
B4' C1' B3' 61.93(9) . . ?
B4' C1' B5' 62.03(9) . . ?
B5' C1' B3' 112.89(11) . . ?
B6' C1' B3' 111.80(11) . . ?
B6' C1' B4' 111.64(11) . . ?
B6' C1' B5' 61.44(9) . . ?
C1' C2' H2' 115.9(11) . . ?
C1' C2' B3' 60.91(9) . . ?
C1' C2' B6' 60.30(9) . . ?
C1' C2' B7' 110.09(12) . . ?
C1' C2' B11' 109.64(12) . . ?
B3' C2' H2' 119.9(11) . . ?
B6' C2' H2' 115.9(10) . . ?
B6' C2' B3' 111.11(12) . . ?
B6' C2' B7' 110.98(13) . . ?
B6' C2' B11' 60.73(10) . . ?
B7' C2' H2' 125.7(10) . . ?
B7' C2' B3' 61.94(10) . . ?
B7' C2' B11' 62.15(10) . . ?
B11' C2' H2' 122.0(11) . . ?
B11' C2' B3' 112.64(12) . . ?
C1' B3' C2' 57.90(8) . . ?
C1' B3' H3' 117.8(10) . . ?
C1' B3' B4' 58.79(9) . . ?
C1' B3' B7' 104.95(11) . . ?
C1' B3' B8' 105.48(12) . . ?
C2' B3' H3' 117.8(11) . . ?
C2' B3' B4' 105.64(11) . . ?
C2' B3' B7' 58.48(9) . . ?
C2' B3' B8' 105.73(12) . . ?
B4' B3' H3' 123.5(10) . . ?
B7' B3' H3' 124.4(10) . . ?
B7' B3' B4' 108.21(12) . . ?
B8' B3' H3' 129.9(11) . . ?
B8' B3' B4' 60.24(10) . . ?
B8' B3' B7' 60.41(10) . . ?
C1' B4' B3' 59.28(8) . . ?
C1' B4' H4' 117.6(10) . . ?
C1' B4' B5' 59.19(9) . . ?
C1' B4' B8' 105.33(12) . . ?
C1' B4' B9' 105.31(12) . . ?
B3' B4' H4' 118.4(10) . . ?
B3' B4' B5' 108.42(12) . . ?
B3' B4' B8' 59.56(10) . . ?
B5' B4' H4' 120.1(10) . . ?
B8' B4' H4' 126.8(10) . . ?
B8' B4' B5' 108.07(12) . . ?
B9' B4' B3' 107.83(12) . . ?
B9' B4' H4' 128.1(10) . . ?
B9' B4' B5' 59.77(10) . . ?
B9' B4' B8' 60.16(11) . . ?
C1' B5' B4' 58.77(9) . . ?
C1' B5' H5' 118.5(11) . . ?
C1' B5' B6' 58.54(9) . . ?
C1' B5' B9' 105.03(12) . . ?
C1' B5' B10' 105.31(12) . . ?
B4' B5' H5' 120.6(11) . . ?
B6' B5' B4' 106.68(11) . . ?
B6' B5' H5' 120.2(11) . . ?
B6' B5' B9' 106.46(12) . . ?
B6' B5' B10' 58.98(10) . . ?
B9' B5' B4' 59.82(10) . . ?
B9' B5' H5' 127.6(11) . . ?
B9' B5' B10' 60.49(11) . . ?
B10' B5' B4' 108.33(12) . . ?
B10' B5' H5' 125.9(11) . . ?
C1' B6' C2' 58.85(9) . . ?
C1' B6' B5' 60.03(9) . . ?
C1' B6' H6' 116.8(12) . . ?
C1' B6' B10' 108.25(12) . . ?
C1' B6' B11' 107.95(11) . . ?
C2' B6' B5' 108.13(12) . . ?
C2' B6' H6' 117.8(12) . . ?
C2' B6' B10' 108.54(12) . . ?
C2' B6' B11' 60.08(9) . . ?
B5' B6' H6' 121.0(12) . . ?
B10' B6' B5' 61.22(10) . . ?
B10' B6' H6' 127.0(12) . . ?
B10' B6' B11' 61.43(10) . . ?
B11' B6' B5' 110.84(12) . . ?
B11' B6' H6' 123.1(12) . . ?
C2' B7' B3' 59.58(9) . . ?
C2' B7' H7' 118.9(11) . . ?
C2' B7' B8' 105.88(12) . . ?
C2' B7' B11' 59.28(9) . . ?
C2' B7' B12' 106.04(12) . . ?
B3' B7' H7' 120.3(11) . . ?
B3' B7' B8' 59.50(10) . . ?
B3' B7' B11' 108.42(11) . . ?
B3' B7' B12' 107.98(12) . . ?
B8' B7' H7' 126.1(11) . . ?
B8' B7' B12' 60.23(11) . . ?
B11' B7' H7' 119.5(11) . . ?
B11' B7' B8' 108.14(13) . . ?
B11' B7' B12' 59.98(11) . . ?
B12' B7' H7' 125.5(11) . . ?
B3' B8' B4' 60.19(9) . . ?
B3' B8' B7' 60.09(10) . . ?
B3' B8' H8' 119.2(11) . . ?
B3' B8' B9' 107.92(12) . . ?
B3' B8' B12' 108.19(13) . . ?
B4' B8' B7' 107.92(12) . . ?
B4' B8' H8' 121.7(11) . . ?
B4' B8' B12' 107.83(13) . . ?
B7' B8' H8' 120.4(11) . . ?
B7' B8' B12' 59.90(11) . . ?
B9' B8' B4' 59.65(10) . . ?
B9' B8' B7' 107.66(13) . . ?
B9' B8' H8' 124.3(11) . . ?
B9' B8' B12' 59.97(11) . . ?
B12' B8' H8' 123.2(11) . . ?
B4' B9' B8' 60.18(10) . . ?
B4' B9' H9' 119.1(11) . . ?
B4' B9' B10' 108.47(13) . . ?
B4' B9' B12' 108.53(13) . . ?
B5' B9' B4' 60.41(10) . . ?
B5' B9' B8' 108.60(12) . . ?
B5' B9' H9' 118.5(11) . . ?
B5' B9' B10' 60.07(11) . . ?
B5' B9' B12' 108.30(13) . . ?
B8' B9' H9' 122.9(11) . . ?
B8' B9' B10' 108.36(13) . . ?
B8' B9' B12' 60.32(11) . . ?
B10' B9' H9' 122.0(11) . . ?
B12' B9' H9' 124.6(11) . . ?
B12' B9' B10' 59.96(11) . . ?
B5' B10' B9' 59.44(10) . . ?
B5' B10' H10' 118.7(11) . . ?
B5' B10' B12' 107.76(13) . . ?
B6' B10' B5' 59.80(10) . . ?
B6' B10' B9' 106.28(13) . . ?
B6' B10' H10' 118.5(11) . . ?
B6' B10' B11' 59.30(10) . . ?
B6' B10' B12' 106.62(13) . . ?
B9' B10' H10' 125.0(11) . . ?
B11' B10' B5' 107.99(12) . . ?
B11' B10' B9' 107.57(13) . . ?
B11' B10' H10' 121.8(11) . . ?
B11' B10' B12' 59.99(10) . . ?
B12' B10' B9' 59.91(11) . . ?
B12' B10' H10' 126.6(11) . . ?
C2' B11' B6' 59.19(9) . . ?
C2' B11' B7' 58.57(10) . . ?
C2' B11' B10' 106.14(12) . . ?
C2' B11' H11' 118.3(11) . . ?
C2' B11' B12' 105.62(13) . . ?
B6' B11' B7' 106.87(12) . . ?
B6' B11' B10' 59.27(10) . . ?
B6' B11' H11' 119.4(11) . . ?
B6' B11' B12' 106.74(13) . . ?
B7' B11' H11' 121.4(11) . . ?
B7' B11' B12' 60.14(11) . . ?
B10' B11' B7' 108.27(13) . . ?
B10' B11' H11' 125.1(11) . . ?
B10' B11' B12' 60.18(11) . . ?
B12' B11' H11' 127.6(11) . . ?
B7' B12' B8' 59.87(11) . . ?
B7' B12' B10' 107.79(12) . . ?
B7' B12' H12' 121.5(11) . . ?
B8' B12' H12' 124.9(11) . . ?
B9' B12' B7' 107.44(13) . . ?
B9' B12' B8' 59.71(11) . . ?
B9' B12' B10' 60.13(11) . . ?
B9' B12' H12' 124.3(11) . . ?
B10' B12' B8' 108.02(13) . . ?
B10' B12' H12' 119.9(11) . . ?
B11' B12' B7' 59.88(10) . . ?
B11' B12' B8' 107.78(13) . . ?
B11' B12' B9' 107.63(13) . . ?
B11' B12' B10' 59.83(10) . . ?
B11' B12' H12' 118.6(11) . . ?
Cl1S C2S H2SA 108.2 . . ?
Cl1S C2S H2SB 108.2 . . ?
Cl1S C2S Cl3S 116.44(9) . . ?
H2SA C2S H2SB 107.3 . . ?
Cl3S C2S H2SA 108.2 . . ?
Cl3S C2S H2SB 108.2 . . ?
Cl2S C3S H3SA 108.1 . . ?
Cl2S C3S H3SB 108.1 . . ?
H3SA C3S H3SB 107.3 . . ?
Cl4S C3S Cl2S 116.76(11) . . ?
Cl4S C3S H3SA 108.1 . . ?
Cl4S C3S H3SB 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B3 Ni4 29.66(9) . . . . ?
C1 C2 B3 B7 140.01(11) . . . . ?
C1 C2 B3 B8 102.76(11) . . . . ?
C1 C2 B6 B5 -34.65(10) . . . . ?
C1 C2 B6 B10 -96.89(11) . . . . ?
C1 C2 B6 B11 -138.97(11) . . . . ?
C1 C2 B7 B3 -37.81(10) . . . . ?
C1 C2 B7 B8 0.55(14) . . . . ?
C1 C2 B7 B11 103.29(11) . . . . ?
C1 C2 B7 B12 63.96(13) . . . . ?
C1 C2 B11 B6 38.39(10) . . . . ?
C1 C2 B11 B7 -104.59(11) . . . . ?
C1 C2 B11 B10 -2.45(14) . . . . ?
C1 C2 B11 B12 -65.36(13) . . . . ?
C1 C2 C1' C2' 105.68(13) . . . . ?
C1 C2 C1' B3' 176.22(11) . . . . ?
C1 C2 C1' B4' -110.98(13) . . . . ?
C1 C2 C1' B5' -36.75(17) . . . . ?
C1 C2 C1' B6' 35.38(17) . . . . ?
C1 B3 B7 C2 32.48(9) . . . . ?
C1 B3 B7 B8 -104.26(11) . . . . ?
C1 B3 B7 B11 -2.17(13) . . . . ?
C1 B3 B7 B12 -65.14(12) . . . . ?
C1 B3 B8 Ni4 -54.45(8) . . . . ?
C1 B3 B8 B7 93.61(11) . . . . ?
C1 B3 B8 B9 -8.12(13) . . . . ?
C1 B3 B8 B12 54.79(12) . . . . ?
C1 B5 B6 C2 34.78(9) . . . . ?
C1 B5 B6 B10 135.00(11) . . . . ?
C1 B5 B6 B11 96.30(11) . . . . ?
C1 B5 B9 Ni4 53.56(8) . . . . ?
C1 B5 B9 B8 1.46(13) . . . . ?
C1 B5 B9 B10 -99.18(11) . . . . ?
C1 B5 B9 B12 -61.18(13) . . . . ?
C1 B5 B10 B6 -39.58(10) . . . . ?
C1 B5 B10 B9 99.36(11) . . . . ?
C1 B5 B10 B11 -1.54(15) . . . . ?
C1 B5 B10 B12 60.88(14) . . . . ?
C1 B6 B10 B5 37.33(9) . . . . ?
C1 B6 B10 B9 -1.38(14) . . . . ?
C1 B6 B10 B11 -99.96(11) . . . . ?
C1 B6 B10 B12 -64.77(12) . . . . ?
C1 B6 B11 C2 -34.65(9) . . . . ?
C1 B6 B11 B7 -1.81(14) . . . . ?
C1 B6 B11 B10 97.53(11) . . . . ?
C1 B6 B11 B12 61.26(13) . . . . ?
P1 C101 C201 P2 37.38(12) . . . . ?
P1 C111 C112 C113 175.68(12) . . . . ?
P1 C111 C116 C115 -175.98(12) . . . . ?
P1 C121 C122 C123 -179.06(12) . . . . ?
P1 C121 C126 C125 179.11(13) . . . . ?
C2 C1 B3 Ni4 -150.66(9) . . . . ?
C2 C1 B3 B7 -33.66(9) . . . . ?
C2 C1 B3 B8 -94.69(11) . . . . ?
C2 C1 B5 Ni4 113.27(10) . . . . ?
C2 C1 B5 B6 -39.11(10) . . . . ?
C2 C1 B5 B9 61.90(13) . . . . ?
C2 C1 B5 B10 0.00(15) . . . . ?
C2 C1 B6 B5 138.20(11) . . . . ?
C2 C1 B6 B10 98.95(11) . . . . ?
C2 C1 B6 B11 35.82(10) . . . . ?
C2 B3 B7 B8 -136.74(11) . . . . ?
C2 B3 B7 B11 -34.66(10) . . . . ?
C2 B3 B7 B12 -97.62(11) . . . . ?
C2 B3 B8 Ni4 -111.51(9) . . . . ?
C2 B3 B8 B7 36.55(9) . . . . ?
C2 B3 B8 B9 -65.18(11) . . . . ?
C2 B3 B8 B12 -2.27(13) . . . . ?
C2 B6 B10 B5 96.02(11) . . . . ?
C2 B6 B10 B9 57.30(13) . . . . ?
C2 B6 B10 B11 -41.27(10) . . . . ?
C2 B6 B10 B12 -6.08(13) . . . . ?
C2 B6 B11 B7 32.84(10) . . . . ?
C2 B6 B11 B10 132.18(11) . . . . ?
C2 B6 B11 B12 95.91(12) . . . . ?
C2 B7 B8 B3 -38.90(10) . . . . ?
C2 B7 B8 Ni4 -8.11(14) . . . . ?
C2 B7 B8 B9 59.26(13) . . . . ?
C2 B7 B8 B12 97.38(11) . . . . ?
C2 B7 B11 B6 -32.92(10) . . . . ?
C2 B7 B11 B10 -95.39(11) . . . . ?
C2 B7 B11 B12 -134.66(11) . . . . ?
C2 B7 B12 B8 -102.18(11) . . . . ?
C2 B7 B12 B9 -63.99(13) . . . . ?
C2 B7 B12 B10 -0.21(13) . . . . ?
C2 B7 B12 B11 38.99(9) . . . . ?
C2 B11 B12 B7 -38.92(9) . . . . ?
C2 B11 B12 B8 -3.72(14) . . . . ?
C2 B11 B12 B9 60.70(13) . . . . ?
C2 B11 B12 B10 97.25(11) . . . . ?
C2 C1' C2' B3' 108.63(13) . . . . ?
C2 C1' C2' B6' -109.01(13) . . . . ?
C2 C1' C2' B7' 147.68(12) . . . . ?
C2 C1' C2' B11' -145.75(12) . . . . ?
C2 C1' B3' C2' -108.32(13) . . . . ?
C2 C1' B3' B4' 112.92(13) . . . . ?
C2 C1' B3' B7' -144.58(12) . . . . ?
C2 C1' B3' B8' 152.57(12) . . . . ?
C2 C1' B4' B3' -107.57(14) . . . . ?
C2 C1' B4' B5' 110.96(13) . . . . ?
C2 C1' B4' B8' -146.86(12) . . . . ?
C2 C1' B4' B9' 150.51(12) . . . . ?
C2 C1' B5' B4' -112.03(14) . . . . ?
C2 C1' B5' B6' 108.11(13) . . . . ?
C2 C1' B5' B9' -151.54(12) . . . . ?
C2 C1' B5' B10' 145.54(13) . . . . ?
C2 C1' B6' C2' 108.02(13) . . . . ?
C2 C1' B6' B5' -111.76(13) . . . . ?
C2 C1' B6' B10' -150.92(12) . . . . ?
C2 C1' B6' B11' 144.07(12) . . . . ?
P2 C211 C212 C213 173.44(13) . . . . ?
P2 C211 C216 C215 -173.77(12) . . . . ?
P2 C221 C222 C223 -176.48(12) . . . . ?
P2 C221 C226 C225 176.44(12) . . . . ?
B3 C1 C2 B6 143.86(11) . . . . ?
B3 C1 C2 B7 37.66(10) . . . . ?
B3 C1 C2 B11 105.51(11) . . . . ?
B3 C1 C2 C1' -109.39(13) . . . . ?
B3 C1 B5 Ni4 44.64(8) . . . . ?
B3 C1 B5 B6 -107.73(11) . . . . ?
B3 C1 B5 B9 -6.72(13) . . . . ?
B3 C1 B5 B10 -68.62(13) . . . . ?
B3 C1 B6 C2 -35.39(10) . . . . ?
B3 C1 B6 B5 102.81(12) . . . . ?
B3 C1 B6 B10 63.56(13) . . . . ?
B3 C1 B6 B11 0.42(15) . . . . ?
B3 C2 B6 C1 34.84(10) . . . . ?
B3 C2 B6 B5 0.20(14) . . . . ?
B3 C2 B6 B10 -62.04(13) . . . . ?
B3 C2 B6 B11 -104.13(12) . . . . ?
B3 C2 B7 B8 38.36(10) . . . . ?
B3 C2 B7 B11 141.10(10) . . . . ?
B3 C2 B7 B12 101.77(11) . . . . ?
B3 C2 B11 B6 106.06(11) . . . . ?
B3 C2 B11 B7 -36.93(10) . . . . ?
B3 C2 B11 B10 65.22(13) . . . . ?
B3 C2 B11 B12 2.31(13) . . . . ?
B3 C2 C1' C2' 33.84(16) . . . . ?
B3 C2 C1' B3' 104.38(13) . . . . ?
B3 C2 C1' B4' 177.18(11) . . . . ?
B3 C2 C1' B5' -108.59(14) . . . . ?
B3 C2 C1' B6' -36.46(16) . . . . ?
B3 B7 B8 Ni4 30.79(9) . . . . ?
B3 B7 B8 B9 98.16(11) . . . . ?
B3 B7 B8 B12 136.28(11) . . . . ?
B3 B7 B11 C2 35.49(10) . . . . ?
B3 B7 B11 B6 2.57(14) . . . . ?
B3 B7 B11 B10 -59.90(14) . . . . ?
B3 B7 B11 B12 -99.17(11) . . . . ?
B3 B7 B12 B8 -38.65(10) . . . . ?
B3 B7 B12 B9 -0.46(14) . . . . ?
B3 B7 B12 B10 63.32(13) . . . . ?
B3 B7 B12 B11 102.52(11) . . . . ?
B3 B8 B9 Ni4 -45.52(8) . . . . ?
B3 B8 B9 B5 4.18(13) . . . . ?
B3 B8 B9 B10 65.50(13) . . . . ?
B3 B8 B9 B12 102.20(11) . . . . ?
B3 B8 B12 B7 39.64(10) . . . . ?
B3 B8 B12 B9 -97.53(11) . . . . ?
B3 B8 B12 B10 -60.51(13) . . . . ?
B3 B8 B12 B11 3.84(14) . . . . ?
Ni4 C1 C2 B3 -29.92(9) . . . . ?
Ni4 C1 C2 B6 113.94(11) . . . . ?
Ni4 C1 C2 B7 7.74(14) . . . . ?
Ni4 C1 C2 B11 75.59(12) . . . . ?
Ni4 C1 C2 C1' -139.31(10) . . . . ?
Ni4 C1 B3 C2 150.66(9) . . . . ?
Ni4 C1 B3 B7 116.99(9) . . . . ?
Ni4 C1 B3 B8 55.97(8) . . . . ?
Ni4 C1 B5 B6 -152.37(9) . . . . ?
Ni4 C1 B5 B9 -51.37(8) . . . . ?
Ni4 C1 B5 B10 -113.27(10) . . . . ?
Ni4 C1 B6 C2 -107.86(11) . . . . ?
Ni4 C1 B6 B5 30.34(9) . . . . ?
Ni4 C1 B6 B10 -8.90(13) . . . . ?
Ni4 C1 B6 B11 -72.04(12) . . . . ?
Ni4 P1 C101 C201 -11.46(11) . . . . ?
Ni4 P1 C111 C112 -177.13(10) . . . . ?
Ni4 P1 C111 C116 -0.92(14) . . . . ?
Ni4 P1 C121 C122 66.19(12) . . . . ?
Ni4 P1 C121 C126 -111.66(12) . . . . ?
Ni4 P2 C201 C101 -49.63(10) . . . . ?
Ni4 P2 C211 C212 155.11(11) . . . . ?
Ni4 P2 C211 C216 -30.31(13) . . . . ?
Ni4 P2 C221 C222 110.59(11) . . . . ?
Ni4 P2 C221 C226 -66.16(12) . . . . ?
Ni4 B3 B7 C2 102.19(11) . . . . ?
Ni4 B3 B7 B8 -34.55(10) . . . . ?
Ni4 B3 B7 B11 67.54(13) . . . . ?
Ni4 B3 B7 B12 4.57(14) . . . . ?
Ni4 B3 B8 B7 148.07(9) . . . . ?
Ni4 B3 B8 B9 46.33(8) . . . . ?
Ni4 B3 B8 B12 109.24(9) . . . . ?
Ni4 B5 B6 C1 -29.87(10) . . . . ?
Ni4 B5 B6 C2 4.91(14) . . . . ?
Ni4 B5 B6 B10 105.12(12) . . . . ?
Ni4 B5 B6 B11 66.43(14) . . . . ?
Ni4 B5 B9 B8 -52.10(8) . . . . ?
Ni4 B5 B9 B10 -152.74(9) . . . . ?
Ni4 B5 B9 B12 -114.75(10) . . . . ?
Ni4 B5 B10 B6 -111.54(11) . . . . ?
Ni4 B5 B10 B9 27.40(9) . . . . ?
Ni4 B5 B10 B11 -73.49(13) . . . . ?
Ni4 B5 B10 B12 -11.08(15) . . . . ?
Ni4 B8 B9 B5 49.71(8) . . . . ?
Ni4 B8 B9 B10 111.02(10) . . . . ?
Ni4 B8 B9 B12 147.72(10) . . . . ?
Ni4 B8 B12 B7 105.58(11) . . . . ?
Ni4 B8 B12 B9 -31.58(9) . . . . ?
Ni4 B8 B12 B10 5.44(14) . . . . ?
Ni4 B8 B12 B11 69.79(13) . . . . ?
Ni4 B9 B10 B5 -27.03(9) . . . . ?
Ni4 B9 B10 B6 10.73(14) . . . . ?
Ni4 B9 B10 B11 74.45(12) . . . . ?
Ni4 B9 B10 B12 109.88(11) . . . . ?
Ni4 B9 B12 B7 -3.62(15) . . . . ?
Ni4 B9 B12 B8 34.30(10) . . . . ?
Ni4 B9 B12 B10 -104.84(12) . . . . ?
Ni4 B9 B12 B11 -68.38(14) . . . . ?
B5 C1 C2 B3 -103.89(12) . . . . ?
B5 C1 C2 B6 39.97(11) . . . . ?
B5 C1 C2 B7 -66.23(14) . . . . ?
B5 C1 C2 B11 1.62(15) . . . . ?
B5 C1 C2 C1' 146.72(12) . . . . ?
B5 C1 B3 C2 104.41(11) . . . . ?
B5 C1 B3 Ni4 -46.24(9) . . . . ?
B5 C1 B3 B7 70.75(12) . . . . ?
B5 C1 B3 B8 9.72(14) . . . . ?
B5 C1 B6 C2 -138.20(11) . . . . ?
B5 C1 B6 B10 -39.25(10) . . . . ?
B5 C1 B6 B11 -102.39(12) . . . . ?
B5 B6 B10 B9 -38.71(10) . . . . ?
B5 B6 B10 B11 -137.29(11) . . . . ?
B5 B6 B10 B12 -102.10(11) . . . . ?
B5 B6 B11 C2 -93.74(11) . . . . ?
B5 B6 B11 B7 -60.90(14) . . . . ?
B5 B6 B11 B10 38.43(10) . . . . ?
B5 B6 B11 B12 2.17(15) . . . . ?
B5 B9 B10 B6 37.76(10) . . . . ?
B5 B9 B10 B11 101.48(12) . . . . ?
B5 B9 B10 B12 136.91(11) . . . . ?
B5 B9 B12 B7 64.23(13) . . . . ?
B5 B9 B12 B8 102.16(11) . . . . ?
B5 B9 B12 B10 -36.98(10) . . . . ?
B5 B9 B12 B11 -0.52(14) . . . . ?
B5 B10 B11 C2 2.37(14) . . . . ?
B5 B10 B11 B6 -38.33(11) . . . . ?
B5 B10 B11 B7 63.32(14) . . . . ?
B5 B10 B11 B12 101.89(12) . . . . ?
B5 B10 B12 B7 -60.18(14) . . . . ?
B5 B10 B12 B8 3.06(15) . . . . ?
B5 B10 B12 B9 39.98(11) . . . . ?
B5 B10 B12 B11 -99.79(12) . . . . ?
B6 C1 C2 B3 -143.86(11) . . . . ?
B6 C1 C2 B7 -106.20(12) . . . . ?
B6 C1 C2 B11 -38.34(11) . . . . ?
B6 C1 C2 C1' 106.75(13) . . . . ?
B6 C1 B3 C2 34.76(10) . . . . ?
B6 C1 B3 Ni4 -115.90(10) . . . . ?
B6 C1 B3 B7 1.09(14) . . . . ?
B6 C1 B3 B8 -59.93(13) . . . . ?
B6 C1 B5 Ni4 152.37(9) . . . . ?
B6 C1 B5 B9 101.01(11) . . . . ?
B6 C1 B5 B10 39.11(10) . . . . ?
B6 C2 B3 C1 -34.74(10) . . . . ?
B6 C2 B3 Ni4 -5.08(14) . . . . ?
B6 C2 B3 B7 105.27(12) . . . . ?
B6 C2 B3 B8 68.02(13) . . . . ?
B6 C2 B7 B3 -105.65(11) . . . . ?
B6 C2 B7 B8 -67.29(13) . . . . ?
B6 C2 B7 B11 35.45(10) . . . . ?
B6 C2 B7 B12 -3.88(13) . . . . ?
B6 C2 B11 B7 -142.98(11) . . . . ?
B6 C2 B11 B10 -40.84(10) . . . . ?
B6 C2 B11 B12 -103.75(11) . . . . ?
B6 C2 C1' C2' 176.36(11) . . . . ?
B6 C2 C1' B3' -113.09(13) . . . . ?
B6 C2 C1' B4' -40.29(16) . . . . ?
B6 C2 C1' B5' 33.93(17) . . . . ?
B6 C2 C1' B6' 106.07(13) . . . . ?
B6 B5 B9 Ni4 116.57(10) . . . . ?
B6 B5 B9 B8 64.47(13) . . . . ?
B6 B5 B9 B10 -36.17(10) . . . . ?
B6 B5 B9 B12 1.82(14) . . . . ?
B6 B5 B10 B9 138.94(11) . . . . ?
B6 B5 B10 B11 38.05(10) . . . . ?
B6 B5 B10 B12 100.46(12) . . . . ?
B6 B10 B11 C2 40.70(10) . . . . ?
B6 B10 B11 B7 101.65(11) . . . . ?
B6 B10 B11 B12 140.22(11) . . . . ?
B6 B10 B12 B7 4.01(14) . . . . ?
B6 B10 B12 B8 67.25(13) . . . . ?
B6 B10 B12 B9 104.17(12) . . . . ?
B6 B10 B12 B11 -35.60(10) . . . . ?
B6 B11 B12 B7 -100.60(11) . . . . ?
B6 B11 B12 B8 -65.41(14) . . . . ?
B6 B11 B12 B9 -0.99(15) . . . . ?
B6 B11 B12 B10 35.56(10) . . . . ?
B7 C2 B3 C1 -140.01(11) . . . . ?
B7 C2 B3 Ni4 -110.35(11) . . . . ?
B7 C2 B3 B8 -37.25(10) . . . . ?
B7 C2 B6 C1 103.23(11) . . . . ?
B7 C2 B6 B5 68.59(13) . . . . ?
B7 C2 B6 B10 6.35(14) . . . . ?
B7 C2 B6 B11 -35.74(10) . . . . ?
B7 C2 B11 B6 142.98(11) . . . . ?
B7 C2 B11 B10 102.14(11) . . . . ?
B7 C2 B11 B12 39.23(10) . . . . ?
B7 C2 C1' C2' -38.50(16) . . . . ?
B7 C2 C1' B3' 32.04(17) . . . . ?
B7 C2 C1' B4' 104.84(14) . . . . ?
B7 C2 C1' B5' 179.07(12) . . . . ?
B7 C2 C1' B6' -108.80(13) . . . . ?
B7 B3 B8 Ni4 -148.07(9) . . . . ?
B7 B3 B8 B9 -101.74(11) . . . . ?
B7 B3 B8 B12 -38.82(10) . . . . ?
B7 B8 B9 Ni4 -109.79(10) . . . . ?
B7 B8 B9 B5 -60.08(13) . . . . ?
B7 B8 B9 B10 1.24(14) . . . . ?
B7 B8 B9 B12 37.93(10) . . . . ?
B7 B8 B12 B9 -137.16(11) . . . . ?
B7 B8 B12 B10 -100.15(12) . . . . ?
B7 B8 B12 B11 -35.79(10) . . . . ?
B7 B11 B12 B8 35.19(10) . . . . ?
B7 B11 B12 B9 99.62(12) . . . . ?
B7 B11 B12 B10 136.17(11) . . . . ?
B8 B3 B7 C2 136.74(11) . . . . ?
B8 B3 B7 B11 102.09(12) . . . . ?
B8 B3 B7 B12 39.12(10) . . . . ?
B8 B7 B11 C2 99.17(11) . . . . ?
B8 B7 B11 B6 66.24(14) . . . . ?
B8 B7 B11 B10 3.78(14) . . . . ?
B8 B7 B11 B12 -35.49(10) . . . . ?
B8 B7 B12 B9 38.19(10) . . . . ?
B8 B7 B12 B10 101.97(11) . . . . ?
B8 B7 B12 B11 141.17(11) . . . . ?
B8 B9 B10 B5 -100.40(11) . . . . ?
B8 B9 B10 B6 -62.65(14) . . . . ?
B8 B9 B10 B11 1.07(14) . . . . ?
B8 B9 B10 B12 36.50(10) . . . . ?
B8 B9 B12 B7 -37.93(10) . . . . ?
B8 B9 B12 B10 -139.14(12) . . . . ?
B8 B9 B12 B11 -102.68(12) . . . . ?
B9 B5 B6 C1 -98.75(11) . . . . ?
B9 B5 B6 C2 -63.97(12) . . . . ?
B9 B5 B6 B10 36.25(10) . . . . ?
B9 B5 B6 B11 -2.45(14) . . . . ?
B9 B5 B10 B6 -138.94(11) . . . . ?
B9 B5 B10 B11 -100.90(12) . . . . ?
B9 B5 B10 B12 -38.48(10) . . . . ?
B9 B8 B12 B7 137.16(11) . . . . ?
B9 B8 B12 B10 37.01(11) . . . . ?
B9 B8 B12 B11 101.37(12) . . . . ?
B9 B10 B11 C2 -63.86(13) . . . . ?
B9 B10 B11 B6 -104.56(12) . . . . ?
B9 B10 B11 B7 -2.92(14) . . . . ?
B9 B10 B11 B12 35.66(10) . . . . ?
B9 B10 B12 B7 -100.16(12) . . . . ?
B9 B10 B12 B8 -36.92(10) . . . . ?
B9 B10 B12 B11 -139.77(11) . . . . ?
B10 B5 B6 C1 -135.00(11) . . . . ?
B10 B5 B6 C2 -100.22(11) . . . . ?
B10 B5 B6 B11 -38.70(11) . . . . ?
B10 B5 B9 Ni4 152.74(9) . . . . ?
B10 B5 B9 B8 100.64(11) . . . . ?
B10 B5 B9 B12 38.00(10) . . . . ?
B10 B6 B11 C2 -132.18(11) . . . . ?
B10 B6 B11 B7 -99.33(12) . . . . ?
B10 B6 B11 B12 -36.26(11) . . . . ?
B10 B9 B12 B7 101.22(12) . . . . ?
B10 B9 B12 B8 139.14(12) . . . . ?
B10 B9 B12 B11 36.46(11) . . . . ?
B10 B11 B12 B7 -136.17(11) . . . . ?
B10 B11 B12 B8 -100.97(12) . . . . ?
B10 B11 B12 B9 -36.55(11) . . . . ?
B11 C2 B3 C1 -102.79(11) . . . . ?
B11 C2 B3 Ni4 -73.14(12) . . . . ?
B11 C2 B3 B7 37.21(10) . . . . ?
B11 C2 B3 B8 -0.04(13) . . . . ?
B11 C2 B6 C1 138.97(11) . . . . ?
B11 C2 B6 B5 104.33(12) . . . . ?
B11 C2 B6 B10 42.08(10) . . . . ?
B11 C2 B7 B3 -141.10(10) . . . . ?
B11 C2 B7 B8 -102.75(12) . . . . ?
B11 C2 B7 B12 -39.34(10) . . . . ?
B11 C2 C1' C2' -112.41(13) . . . . ?
B11 C2 C1' B3' -41.87(17) . . . . ?
B11 C2 C1' B4' 30.93(17) . . . . ?
B11 C2 C1' B5' 105.16(14) . . . . ?
B11 C2 C1' B6' 177.29(11) . . . . ?
B11 B6 B10 B5 137.29(11) . . . . ?
B11 B6 B10 B9 98.58(12) . . . . ?
B11 B6 B10 B12 35.19(10) . . . . ?
B11 B7 B8 B3 -101.26(11) . . . . ?
B11 B7 B8 Ni4 -70.48(12) . . . . ?
B11 B7 B8 B9 -3.10(14) . . . . ?
B11 B7 B8 B12 35.02(10) . . . . ?
B11 B7 B12 B8 -141.17(11) . . . . ?
B11 B7 B12 B9 -102.98(12) . . . . ?
B11 B7 B12 B10 -39.20(10) . . . . ?
B11 B10 B12 B7 39.61(10) . . . . ?
B11 B10 B12 B8 102.86(12) . . . . ?
B11 B10 B12 B9 139.77(11) . . . . ?
B12 B7 B8 B3 -136.28(11) . . . . ?
B12 B7 B8 Ni4 -105.49(11) . . . . ?
B12 B7 B8 B9 -38.12(10) . . . . ?
B12 B7 B11 C2 134.66(11) . . . . ?
B12 B7 B11 B6 101.74(12) . . . . ?
B12 B7 B11 B10 39.27(10) . . . . ?
B12 B8 B9 Ni4 -147.72(10) . . . . ?
B12 B8 B9 B5 -98.01(11) . . . . ?
B12 B8 B9 B10 -36.70(10) . . . . ?
B12 B9 B10 B5 -136.91(11) . . . . ?
B12 B9 B10 B6 -99.15(12) . . . . ?
B12 B9 B10 B11 -35.43(10) . . . . ?
B12 B10 B11 C2 -99.52(11) . . . . ?
B12 B10 B11 B6 -140.22(11) . . . . ?
B12 B10 B11 B7 -38.57(10) . . . . ?
C101 P1 C111 C112 -56.03(13) . . . . ?
C101 P1 C111 C116 120.18(12) . . . . ?
C101 P1 C121 C122 -53.49(13) . . . . ?
C101 P1 C121 C126 128.65(13) . . . . ?
C111 P1 C101 C201 -138.89(11) . . . . ?
C111 P1 C121 C122 -161.87(11) . . . . ?
C111 P1 C121 C126 20.28(14) . . . . ?
C111 C112 C113 C114 0.5(2) . . . . ?
C112 C111 C116 C115 0.3(2) . . . . ?
C112 C113 C114 C115 -0.1(2) . . . . ?
C113 C114 C115 C116 -0.2(2) . . . . ?
C114 C115 C116 C111 0.1(2) . . . . ?
C116 C111 C112 C113 -0.6(2) . . . . ?
C121 P1 C101 C201 111.85(11) . . . . ?
C121 P1 C111 C112 53.36(13) . . . . ?
C121 P1 C111 C116 -130.43(12) . . . . ?
C121 C122 C123 C124 0.5(2) . . . . ?
C122 C121 C126 C125 1.3(2) . . . . ?
C122 C123 C124 C125 0.0(3) . . . . ?
C123 C124 C125 C126 0.1(3) . . . . ?
C124 C125 C126 C121 -0.8(3) . . . . ?
C126 C121 C122 C123 -1.1(2) . . . . ?
C201 P2 C211 C212 39.47(14) . . . . ?
C201 P2 C211 C216 -145.95(12) . . . . ?
C201 P2 C221 C222 -127.80(12) . . . . ?
C201 P2 C221 C226 55.46(13) . . . . ?
C211 P2 C201 C101 70.78(11) . . . . ?
C211 P2 C221 C222 -17.67(13) . . . . ?
C211 P2 C221 C226 165.59(11) . . . . ?
C211 C212 C213 C214 0.4(3) . . . . ?
C212 C211 C216 C215 0.9(2) . . . . ?
C212 C213 C214 C215 0.6(3) . . . . ?
C213 C214 C215 C216 -0.9(2) . . . . ?
C214 C215 C216 C211 0.1(2) . . . . ?
C216 C211 C212 C213 -1.2(2) . . . . ?
C221 P2 C201 C101 179.10(10) . . . . ?
C221 P2 C211 C212 -71.32(14) . . . . ?
C221 P2 C211 C216 103.26(12) . . . . ?
C221 C222 C223 C224 0.2(2) . . . . ?
C222 C221 C226 C225 -0.4(2) . . . . ?
C222 C223 C224 C225 -0.7(3) . . . . ?
C223 C224 C225 C226 0.6(2) . . . . ?
C224 C225 C226 C221 -0.1(2) . . . . ?
C226 C221 C222 C223 0.3(2) . . . . ?
C1' C2 B3 C1 108.64(12) . . . . ?
C1' C2 B3 Ni4 138.30(10) . . . . ?
C1' C2 B3 B7 -111.35(12) . . . . ?
C1' C2 B3 B8 -148.60(11) . . . . ?
C1' C2 B6 C1 -109.35(12) . . . . ?
C1' C2 B6 B5 -143.99(11) . . . . ?
C1' C2 B6 B10 153.76(11) . . . . ?
C1' C2 B6 B11 111.68(12) . . . . ?
C1' C2 B7 B3 108.36(13) . . . . ?
C1' C2 B7 B8 146.72(12) . . . . ?
C1' C2 B7 B11 -110.53(13) . . . . ?
C1' C2 B7 B12 -149.87(11) . . . . ?
C1' C2 B11 B6 -105.91(13) . . . . ?
C1' C2 B11 B7 111.11(13) . . . . ?
C1' C2 B11 B10 -146.75(12) . . . . ?
C1' C2 B11 B12 150.34(11) . . . . ?
C1' C2' B3' B4' 35.83(10) . . . . ?
C1' C2' B3' B7' 137.90(12) . . . . ?
C1' C2' B3' B8' 98.67(12) . . . . ?
C1' C2' B6' B5' -35.68(11) . . . . ?
C1' C2' B6' B10' -100.56(13) . . . . ?
C1' C2' B6' B11' -139.77(12) . . . . ?
C1' C2' B7' B3' -38.59(11) . . . . ?
C1' C2' B7' B8' 0.24(16) . . . . ?
C1' C2' B7' B11' 102.22(13) . . . . ?
C1' C2' B7' B12' 63.16(15) . . . . ?
C1' C2' B11' B6' 36.56(11) . . . . ?
C1' C2' B11' B7' -102.93(13) . . . . ?
C1' C2' B11' B10' -1.07(16) . . . . ?
C1' C2' B11' B12' -63.90(14) . . . . ?
C1' B3' B4' B5' 34.33(11) . . . . ?
C1' B3' B4' B8' 134.90(13) . . . . ?
C1' B3' B4' B9' 97.56(13) . . . . ?
C1' B3' B7' C2' 36.01(11) . . . . ?
C1' B3' B7' B8' -99.56(12) . . . . ?
C1' B3' B7' B11' 1.08(15) . . . . ?
C1' B3' B7' B12' -62.41(14) . . . . ?
C1' B3' B8' B4' -38.95(11) . . . . ?
C1' B3' B8' B7' 98.66(12) . . . . ?
C1' B3' B8' B9' -1.82(16) . . . . ?
C1' B3' B8' B12' 61.60(15) . . . . ?
C1' B4' B5' B6' 35.03(10) . . . . ?
C1' B4' B5' B9' 134.69(13) . . . . ?
C1' B4' B5' B10' 97.15(13) . . . . ?
C1' B4' B8' B3' 39.15(11) . . . . ?
C1' B4' B8' B7' 1.26(16) . . . . ?
C1' B4' B8' B9' -99.12(13) . . . . ?
C1' B4' B8' B12' -62.01(15) . . . . ?
C1' B4' B9' B5' -39.28(11) . . . . ?
C1' B4' B9' B8' 99.15(12) . . . . ?
C1' B4' B9' B10' -1.88(16) . . . . ?
C1' B4' B9' B12' 61.71(15) . . . . ?
C1' B5' B6' C2' 35.18(10) . . . . ?
C1' B5' B6' B10' 136.83(12) . . . . ?
C1' B5' B6' B11' 99.28(13) . . . . ?
C1' B5' B9' B4' 39.01(11) . . . . ?
C1' B5' B9' B8' 1.60(17) . . . . ?
C1' B5' B9' B10' -99.34(13) . . . . ?
C1' B5' B9' B12' -62.36(16) . . . . ?
C1' B5' B10' B6' -37.23(11) . . . . ?
C1' B5' B10' B9' 98.85(13) . . . . ?
C1' B5' B10' B11' -1.34(16) . . . . ?
C1' B5' B10' B12' 62.03(15) . . . . ?
C1' B6' B10' B5' 38.61(11) . . . . ?
C1' B6' B10' B9' 0.14(16) . . . . ?
C1' B6' B10' B11' -100.95(12) . . . . ?
C1' B6' B10' B12' -62.60(15) . . . . ?
C1' B6' B11' C2' -35.52(11) . . . . ?
C1' B6' B11' B7' -0.14(16) . . . . ?
C1' B6' B11' B10' 101.45(13) . . . . ?
C1' B6' B11' B12' 62.98(15) . . . . ?
C2' C1' B3' B4' -138.77(12) . . . . ?
C2' C1' B3' B7' -36.27(11) . . . . ?
C2' C1' B3' B8' -99.11(13) . . . . ?
C2' C1' B4' B3' 38.15(11) . . . . ?
C2' C1' B4' B5' -103.32(12) . . . . ?
C2' C1' B4' B8' -1.14(15) . . . . ?
C2' C1' B4' B9' -63.77(14) . . . . ?
C2' C1' B5' B4' 103.13(12) . . . . ?
C2' C1' B5' B6' -36.74(11) . . . . ?
C2' C1' B5' B9' 63.61(14) . . . . ?
C2' C1' B5' B10' 0.70(15) . . . . ?
C2' C1' B6' B5' 140.22(12) . . . . ?
C2' C1' B6' B10' 101.06(13) . . . . ?
C2' C1' B6' B11' 36.05(11) . . . . ?
C2' B3' B4' C1' -35.44(10) . . . . ?
C2' B3' B4' B5' -1.12(15) . . . . ?
C2' B3' B4' B8' 99.46(13) . . . . ?
C2' B3' B4' B9' 62.12(14) . . . . ?
C2' B3' B7' B8' -135.57(13) . . . . ?
C2' B3' B7' B11' -34.93(12) . . . . ?
C2' B3' B7' B12' -98.42(13) . . . . ?
C2' B3' B8' B4' -99.30(12) . . . . ?
C2' B3' B8' B7' 38.31(11) . . . . ?
C2' B3' B8' B9' -62.16(15) . . . . ?
C2' B3' B8' B12' 1.26(16) . . . . ?
C2' B6' B10' B5' 100.97(13) . . . . ?
C2' B6' B10' B9' 62.50(15) . . . . ?
C2' B6' B10' B11' -38.59(12) . . . . ?
C2' B6' B10' B12' -0.25(16) . . . . ?
C2' B6' B11' B7' 35.39(11) . . . . ?
C2' B6' B11' B10' 136.97(13) . . . . ?
C2' B6' B11' B12' 98.51(14) . . . . ?
C2' B7' B8' B3' -38.88(11) . . . . ?
C2' B7' B8' B4' -0.94(17) . . . . ?
C2' B7' B8' B9' 62.04(16) . . . . ?
C2' B7' B8' B12' 99.69(13) . . . . ?
C2' B7' B11' B6' -35.65(12) . . . . ?
C2' B7' B11' B10' -98.12(13) . . . . ?
C2' B7' B11' B12' -135.62(13) . . . . ?
C2' B7' B12' B8' -99.41(13) . . . . ?
C2' B7' B12' B9' -61.92(16) . . . . ?
C2' B7' B12' B10' 1.51(17) . . . . ?
C2' B7' B12' B11' 38.73(12) . . . . ?
C2' B11' B12' B7' -38.30(11) . . . . ?
C2' B11' B12' B8' -0.98(17) . . . . ?
C2' B11' B12' B9' 62.03(16) . . . . ?
C2' B11' B12' B10' 99.93(13) . . . . ?
B3' C1' C2' B6' 142.36(12) . . . . ?
B3' C1' C2' B7' 39.05(12) . . . . ?
B3' C1' C2' B11' 105.62(13) . . . . ?
B3' C1' B4' B5' -141.47(12) . . . . ?
B3' C1' B4' B8' -39.29(11) . . . . ?
B3' C1' B4' B9' -101.92(13) . . . . ?
B3' C1' B5' B4' 36.63(11) . . . . ?
B3' C1' B5' B6' -103.24(12) . . . . ?
B3' C1' B5' B9' -2.89(16) . . . . ?
B3' C1' B5' B10' -65.80(15) . . . . ?
B3' C1' B6' C2' -35.19(11) . . . . ?
B3' C1' B6' B5' 105.03(12) . . . . ?
B3' C1' B6' B10' 65.87(15) . . . . ?
B3' C1' B6' B11' 0.86(16) . . . . ?
B3' C2' B6' C1' 34.89(11) . . . . ?
B3' C2' B6' B5' -0.79(16) . . . . ?
B3' C2' B6' B10' -65.67(15) . . . . ?
B3' C2' B6' B11' -104.88(13) . . . . ?
B3' C2' B7' B8' 38.84(12) . . . . ?
B3' C2' B7' B11' 140.81(13) . . . . ?
B3' C2' B7' B12' 101.75(13) . . . . ?
B3' C2' B11' B6' 102.33(13) . . . . ?
B3' C2' B11' B7' -37.17(12) . . . . ?
B3' C2' B11' B10' 64.69(15) . . . . ?
B3' C2' B11' B12' 1.87(16) . . . . ?
B3' B4' B5' C1' -34.36(11) . . . . ?
B3' B4' B5' B6' 0.67(15) . . . . ?
B3' B4' B5' B9' 100.33(13) . . . . ?
B3' B4' B5' B10' 62.80(15) . . . . ?
B3' B4' B8' B7' -37.89(12) . . . . ?
B3' B4' B8' B9' -138.27(13) . . . . ?
B3' B4' B8' B12' -101.16(14) . . . . ?
B3' B4' B9' B5' -101.35(12) . . . . ?
B3' B4' B9' B8' 37.07(11) . . . . ?
B3' B4' B9' B10' -63.95(16) . . . . ?
B3' B4' B9' B12' -0.36(17) . . . . ?
B3' B7' B8' B4' 37.93(11) . . . . ?
B3' B7' B8' B9' 100.91(13) . . . . ?
B3' B7' B8' B12' 138.57(13) . . . . ?
B3' B7' B11' C2' 35.05(12) . . . . ?
B3' B7' B11' B6' -0.60(16) . . . . ?
B3' B7' B11' B10' -63.07(15) . . . . ?
B3' B7' B11' B12' -100.57(14) . . . . ?
B3' B7' B12' B8' -36.83(11) . . . . ?
B3' B7' B12' B9' 0.66(17) . . . . ?
B3' B7' B12' B10' 64.08(15) . . . . ?
B3' B7' B12' B11' 101.31(12) . . . . ?
B3' B8' B9' B4' -37.37(12) . . . . ?
B3' B8' B9' B5' 0.14(18) . . . . ?
B3' B8' B9' B10' 63.85(16) . . . . ?
B3' B8' B9' B12' 101.07(14) . . . . ?
B3' B8' B12' B7' 37.14(12) . . . . ?
B3' B8' B12' B9' -100.61(13) . . . . ?
B3' B8' B12' B10' -63.39(16) . . . . ?
B3' B8' B12' B11' -0.17(17) . . . . ?
B4' C1' C2' B3' -38.47(11) . . . . ?
B4' C1' C2' B6' 103.89(12) . . . . ?
B4' C1' C2' B7' 0.58(16) . . . . ?
B4' C1' C2' B11' 67.15(14) . . . . ?
B4' C1' B3' C2' 138.77(12) . . . . ?
B4' C1' B3' B7' 102.50(13) . . . . ?
B4' C1' B3' B8' 39.65(11) . . . . ?
B4' C1' B5' B6' -139.87(12) . . . . ?
B4' C1' B5' B9' -39.51(11) . . . . ?
B4' C1' B5' B10' -102.43(13) . . . . ?
B4' C1' B6' C2' -102.45(12) . . . . ?
B4' C1' B6' B5' 37.77(11) . . . . ?
B4' C1' B6' B10' -1.39(15) . . . . ?
B4' C1' B6' B11' -66.40(14) . . . . ?
B4' B3' B7' C2' 97.53(12) . . . . ?
B4' B3' B7' B8' -38.03(11) . . . . ?
B4' B3' B7' B11' 62.61(15) . . . . ?
B4' B3' B7' B12' -0.88(15) . . . . ?
B4' B3' B8' B7' 137.61(13) . . . . ?
B4' B3' B8' B9' 37.13(12) . . . . ?
B4' B3' B8' B12' 100.56(14) . . . . ?
B4' B5' B6' C1' -35.13(10) . . . . ?
B4' B5' B6' C2' 0.05(15) . . . . ?
B4' B5' B6' B10' 101.70(13) . . . . ?
B4' B5' B6' B11' 64.15(15) . . . . ?
B4' B5' B9' B8' -37.41(12) . . . . ?
B4' B5' B9' B10' -138.35(13) . . . . ?
B4' B5' B9' B12' -101.37(14) . . . . ?
B4' B5' B10' B6' -98.84(13) . . . . ?
B4' B5' B10' B9' 37.25(12) . . . . ?
B4' B5' B10' B11' -62.94(16) . . . . ?
B4' B5' B10' B12' 0.42(16) . . . . ?
B4' B8' B9' B5' 37.51(12) . . . . ?
B4' B8' B9' B10' 101.22(14) . . . . ?
B4' B8' B9' B12' 138.44(13) . . . . ?
B4' B8' B12' B7' 100.78(13) . . . . ?
B4' B8' B12' B9' -36.97(12) . . . . ?
B4' B8' B12' B10' 0.25(17) . . . . ?
B4' B8' B12' B11' 63.47(16) . . . . ?
B4' B9' B10' B5' -37.54(12) . . . . ?
B4' B9' B10' B6' 1.10(17) . . . . ?
B4' B9' B10' B11' 63.36(16) . . . . ?
B4' B9' B10' B12' 101.18(14) . . . . ?
B4' B9' B12' B7' -0.18(18) . . . . ?
B4' B9' B12' B8' 37.38(12) . . . . ?
B4' B9' B12' B10' -101.08(14) . . . . ?
B4' B9' B12' B11' -63.31(17) . . . . ?
B5' C1' C2' B3' -105.38(12) . . . . ?
B5' C1' C2' B6' 36.98(11) . . . . ?
B5' C1' C2' B7' -66.33(14) . . . . ?
B5' C1' C2' B11' 0.23(15) . . . . ?
B5' C1' B3' C2' 102.10(13) . . . . ?
B5' C1' B3' B4' -36.67(12) . . . . ?
B5' C1' B3' B7' 65.83(14) . . . . ?
B5' C1' B3' B8' 2.99(16) . . . . ?
B5' C1' B4' B3' 141.47(12) . . . . ?
B5' C1' B4' B8' 102.18(13) . . . . ?
B5' C1' B4' B9' 39.55(12) . . . . ?
B5' C1' B6' C2' -140.22(12) . . . . ?
B5' C1' B6' B10' -39.16(11) . . . . ?
B5' C1' B6' B11' -104.17(13) . . . . ?
B5' B4' B8' B3' 101.18(13) . . . . ?
B5' B4' B8' B7' 63.29(16) . . . . ?
B5' B4' B8' B9' -37.09(12) . . . . ?
B5' B4' B8' B12' 0.01(16) . . . . ?
B5' B4' B9' B8' 138.42(13) . . . . ?
B5' B4' B9' B10' 37.39(12) . . . . ?
B5' B4' B9' B12' 100.99(14) . . . . ?
B5' B6' B10' B9' -38.47(12) . . . . ?
B5' B6' B10' B11' -139.57(13) . . . . ?
B5' B6' B10' B12' -101.22(14) . . . . ?
B5' B6' B11' C2' -99.51(13) . . . . ?
B5' B6' B11' B7' -64.12(15) . . . . ?
B5' B6' B11' B10' 37.46(12) . . . . ?
B5' B6' B11' B12' -1.00(17) . . . . ?
B5' B9' B10' B6' 38.64(12) . . . . ?
B5' B9' B10' B11' 100.91(13) . . . . ?
B5' B9' B10' B12' 138.72(13) . . . . ?
B5' B9' B12' B7' 63.86(17) . . . . ?
B5' B9' B12' B8' 101.42(14) . . . . ?
B5' B9' B12' B10' -37.03(12) . . . . ?
B5' B9' B12' B11' 0.74(18) . . . . ?
B5' B10' B11' C2' 1.48(17) . . . . ?
B5' B10' B11' B6' -36.11(12) . . . . ?
B5' B10' B11' B7' 63.05(16) . . . . ?
B5' B10' B11' B12' 100.53(14) . . . . ?
B5' B10' B12' B7' -63.68(16) . . . . ?
B5' B10' B12' B8' -0.42(17) . . . . ?
B5' B10' B12' B9' 36.62(12) . . . . ?
B5' B10' B12' B11' -100.92(14) . . . . ?
B6' C1' C2' B3' -142.36(12) . . . . ?
B6' C1' C2' B7' -103.31(13) . . . . ?
B6' C1' C2' B11' -36.74(11) . . . . ?
B6' C1' B3' C2' 35.06(11) . . . . ?
B6' C1' B3' B4' -103.71(12) . . . . ?
B6' C1' B3' B7' -1.21(15) . . . . ?
B6' C1' B3' B8' -64.05(14) . . . . ?
B6' C1' B4' B3' 103.95(12) . . . . ?
B6' C1' B4' B5' -37.52(11) . . . . ?
B6' C1' B4' B8' 64.66(14) . . . . ?
B6' C1' B4' B9' 2.03(15) . . . . ?
B6' C1' B5' B4' 139.87(12) . . . . ?
B6' C1' B5' B9' 100.35(13) . . . . ?
B6' C1' B5' B10' 37.44(11) . . . . ?
B6' C2' B3' C1' -34.65(11) . . . . ?
B6' C2' B3' B4' 1.18(15) . . . . ?
B6' C2' B3' B7' 103.25(13) . . . . ?
B6' C2' B3' B8' 64.01(14) . . . . ?
B6' C2' B7' B3' -103.46(13) . . . . ?
B6' C2' B7' B8' -64.62(15) . . . . ?
B6' C2' B7' B11' 37.36(12) . . . . ?
B6' C2' B7' B12' -1.71(16) . . . . ?
B6' C2' B11' B7' -139.50(13) . . . . ?
B6' C2' B11' B10' -37.63(12) . . . . ?
B6' C2' B11' B12' -100.46(13) . . . . ?
B6' B5' B9' B4' 100.05(12) . . . . ?
B6' B5' B9' B8' 62.64(16) . . . . ?
B6' B5' B9' B10' -38.30(12) . . . . ?
B6' B5' B9' B12' -1.32(17) . . . . ?
B6' B5' B10' B9' 136.09(13) . . . . ?
B6' B5' B10' B11' 35.90(11) . . . . ?
B6' B5' B10' B12' 99.27(14) . . . . ?
B6' B10' B11' C2' 37.59(11) . . . . ?
B6' B10' B11' B7' 99.16(13) . . . . ?
B6' B10' B11' B12' 136.64(13) . . . . ?
B6' B10' B12' B7' -0.78(17) . . . . ?
B6' B10' B12' B8' 62.48(16) . . . . ?
B6' B10' B12' B9' 99.51(14) . . . . ?
B6' B10' B12' B11' -38.03(12) . . . . ?
B6' B11' B12' B7' -100.18(13) . . . . ?
B6' B11' B12' B8' -62.86(16) . . . . ?
B6' B11' B12' B9' 0.15(17) . . . . ?
B6' B11' B12' B10' 38.05(12) . . . . ?
B7' C2' B3' C1' -137.90(12) . . . . ?
B7' C2' B3' B4' -102.06(13) . . . . ?
B7' C2' B3' B8' -39.23(12) . . . . ?
B7' C2' B6' C1' 101.81(13) . . . . ?
B7' C2' B6' B5' 66.14(15) . . . . ?
B7' C2' B6' B10' 1.25(16) . . . . ?
B7' C2' B6' B11' -37.95(12) . . . . ?
B7' C2' B11' B6' 139.50(13) . . . . ?
B7' C2' B11' B10' 101.87(14) . . . . ?
B7' C2' B11' B12' 39.04(12) . . . . ?
B7' B3' B4' C1' -96.79(12) . . . . ?
B7' B3' B4' B5' -62.46(14) . . . . ?
B7' B3' B4' B8' 38.11(11) . . . . ?
B7' B3' B4' B9' 0.77(15) . . . . ?
B7' B3' B8' B4' -137.61(13) . . . . ?
B7' B3' B8' B9' -100.48(14) . . . . ?
B7' B3' B8' B12' -37.06(12) . . . . ?
B7' B8' B9' B4' -100.82(13) . . . . ?
B7' B8' B9' B5' -63.31(16) . . . . ?
B7' B8' B9' B10' 0.40(17) . . . . ?
B7' B8' B9' B12' 37.62(12) . . . . ?
B7' B8' B12' B9' -137.75(13) . . . . ?
B7' B8' B12' B10' -100.53(14) . . . . ?
B7' B8' B12' B11' -37.32(12) . . . . ?
B7' B11' B12' B8' 37.31(12) . . . . ?
B7' B11' B12' B9' 100.32(14) . . . . ?
B7' B11' B12' B10' 138.22(13) . . . . ?
B8' B3' B4' C1' -134.90(13) . . . . ?
B8' B3' B4' B5' -100.57(13) . . . . ?
B8' B3' B4' B9' -37.34(12) . . . . ?
B8' B3' B7' C2' 135.57(13) . . . . ?
B8' B3' B7' B11' 100.64(14) . . . . ?
B8' B3' B7' B12' 37.15(12) . . . . ?
B8' B4' B5' C1' -97.42(12) . . . . ?
B8' B4' B5' B6' -62.40(15) . . . . ?
B8' B4' B5' B9' 37.27(12) . . . . ?
B8' B4' B5' B10' -0.27(16) . . . . ?
B8' B4' B9' B5' -138.42(13) . . . . ?
B8' B4' B9' B10' -101.03(14) . . . . ?
B8' B4' B9' B12' -37.43(13) . . . . ?
B8' B7' B11' C2' 98.06(13) . . . . ?
B8' B7' B11' B6' 62.41(15) . . . . ?
B8' B7' B11' B10' -0.06(16) . . . . ?
B8' B7' B11' B12' -37.56(12) . . . . ?
B8' B7' B12' B9' 37.49(12) . . . . ?
B8' B7' B12' B10' 100.91(14) . . . . ?
B8' B7' B12' B11' 138.14(13) . . . . ?
B8' B9' B10' B5' -101.34(13) . . . . ?
B8' B9' B10' B6' -62.70(16) . . . . ?
B8' B9' B10' B11' -0.44(17) . . . . ?
B8' B9' B10' B12' 37.38(13) . . . . ?
B8' B9' B12' B7' -37.56(12) . . . . ?
B8' B9' B12' B10' -138.45(13) . . . . ?
B8' B9' B12' B11' -100.69(14) . . . . ?
B9' B4' B5' C1' -134.69(13) . . . . ?
B9' B4' B5' B6' -99.67(13) . . . . ?
B9' B4' B5' B10' -37.54(12) . . . . ?
B9' B4' B8' B3' 138.27(13) . . . . ?
B9' B4' B8' B7' 100.38(14) . . . . ?
B9' B4' B8' B12' 37.11(12) . . . . ?
B9' B5' B6' C1' -97.82(12) . . . . ?
B9' B5' B6' C2' -62.64(15) . . . . ?
B9' B5' B6' B10' 39.00(12) . . . . ?
B9' B5' B6' B11' 1.45(16) . . . . ?
B9' B5' B10' B6' -136.09(13) . . . . ?
B9' B5' B10' B11' -100.19(14) . . . . ?
B9' B5' B10' B12' -36.82(12) . . . . ?
B9' B8' B12' B7' 137.75(13) . . . . ?
B9' B8' B12' B10' 37.22(13) . . . . ?
B9' B8' B12' B11' 100.43(14) . . . . ?
B9' B10' B11' C2' -61.26(15) . . . . ?
B9' B10' B11' B6' -98.86(14) . . . . ?
B9' B10' B11' B7' 0.31(17) . . . . ?
B9' B10' B11' B12' 37.78(12) . . . . ?
B9' B10' B12' B7' -100.29(14) . . . . ?
B9' B10' B12' B8' -37.03(12) . . . . ?
B9' B10' B12' B11' -137.54(13) . . . . ?
B10' B5' B6' C1' -136.83(12) . . . . ?
B10' B5' B6' C2' -101.65(13) . . . . ?
B10' B5' B6' B11' -37.55(12) . . . . ?
B10' B5' B9' B4' 138.35(13) . . . . ?
B10' B5' B9' B8' 100.94(14) . . . . ?
B10' B5' B9' B12' 36.98(13) . . . . ?
B10' B6' B11' C2' -136.97(13) . . . . ?
B10' B6' B11' B7' -101.58(14) . . . . ?
B10' B6' B11' B12' -38.46(12) . . . . ?
B10' B9' B12' B7' 100.89(14) . . . . ?
B10' B9' B12' B8' 138.45(13) . . . . ?
B10' B9' B12' B11' 37.77(13) . . . . ?
B10' B11' B12' B7' -138.22(13) . . . . ?
B10' B11' B12' B8' -100.91(14) . . . . ?
B10' B11' B12' B9' -37.90(13) . . . . ?
B11' C2' B3' C1' -100.65(13) . . . . ?
B11' C2' B3' B4' -64.81(14) . . . . ?
B11' C2' B3' B7' 37.25(12) . . . . ?
B11' C2' B3' B8' -1.98(16) . . . . ?
B11' C2' B6' C1' 139.77(12) . . . . ?
B11' C2' B6' B5' 104.09(13) . . . . ?
B11' C2' B6' B10' 39.20(12) . . . . ?
B11' C2' B7' B3' -140.81(13) . . . . ?
B11' C2' B7' B8' -101.97(14) . . . . ?
B11' C2' B7' B12' -39.06(12) . . . . ?
B11' B6' B10' B5' 139.57(13) . . . . ?
B11' B6' B10' B9' 101.09(14) . . . . ?
B11' B6' B10' B12' 38.35(12) . . . . ?
B11' B7' B8' B3' -101.12(12) . . . . ?
B11' B7' B8' B4' -63.18(16) . . . . ?
B11' B7' B8' B9' -0.21(16) . . . . ?
B11' B7' B8' B12' 37.45(12) . . . . ?
B11' B7' B12' B8' -138.14(13) . . . . ?
B11' B7' B12' B9' -100.65(14) . . . . ?
B11' B7' B12' B10' -37.22(12) . . . . ?
B11' B10' B12' B7' 37.25(12) . . . . ?
B11' B10' B12' B8' 100.51(14) . . . . ?
B11' B10' B12' B9' 137.54(13) . . . . ?
B12' B7' B8' B3' -138.57(13) . . . . ?
B12' B7' B8' B4' -100.63(14) . . . . ?
B12' B7' B8' B9' -37.65(12) . . . . ?
B12' B7' B11' C2' 135.62(13) . . . . ?
B12' B7' B11' B6' 99.96(14) . . . . ?
B12' B7' B11' B10' 37.49(12) . . . . ?
B12' B8' B9' B4' -138.44(13) . . . . ?
B12' B8' B9' B5' -100.93(14) . . . . ?
B12' B8' B9' B10' -37.22(12) . . . . ?
B12' B9' B10' B5' -138.72(13) . . . . ?
B12' B9' B10' B6' -100.08(14) . . . . ?
B12' B9' B10' B11' -37.82(12) . . . . ?
B12' B10' B11' C2' -99.05(13) . . . . ?
B12' B10' B11' B6' -136.64(13) . . . . ?
B12' B10' B11' B7' -37.48(12) . . . . ?

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

data_x85030
_database_code_depnum_ccdc_archive 'CCDC 1492393'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2016-02-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H37 B19 Ni P2'
_chemical_formula_sum            'C10 H37 B19 Ni P2'
_chemical_formula_weight         483.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.0457(7)
_cell_length_b                   12.1143(10)
_cell_length_c                   13.0918(11)
_cell_angle_alpha                112.101(4)
_cell_angle_beta                 97.903(4)
_cell_angle_gamma                99.226(4)
_cell_volume                     1280.96(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8122
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.63
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    0.883
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0548 before and 0.0446 after correction.
The Ratio of minimum to maximum transmission is 0.9387.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21467
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.325
_diffrn_reflns_theta_min         1.720
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5257
_reflns_number_total             6101
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6101
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0342
_refine_ls_restrained_S_all      0.979
_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)+(0.0348P)²+0.9552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0811
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Shared sites
{C2', B2'}
{C6', B6'}
3. Uiso/Uaniso restraints and constraints
P2 \\sim P2A: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C102) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
Uanis(B2') = Uanis(C2')
Uanis(C6') = Uanis(B6')
4. Others
 Sof(C102)=Sof(H10C)=Sof(H10D)=Sof(C202)=Sof(H20C)=Sof(H20D)=Sof(H21D)=
 Sof(H21E)=Sof(H21F)=Sof(P2A)=1-FVAR(1)
 Sof(P2)=Sof(C101)=Sof(H10A)=Sof(H10B)=Sof(C201)=Sof(H20A)=Sof(H20B)=Sof(H21A)=
 Sof(H21B)=Sof(H21C)=FVAR(1)
 Sof(B2')=Sof(C6')=1-FVAR(2)
 Sof(C2')=Sof(B6')=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C201(H20A,H20B), C202(H20C,H20D)
5.b Me refined with riding coordinates:
 C211(H21A,H21B,H21C), C211(H21D,H21E,H21F), C221(H22A,H22B,H22C)
5.c Idealised Me refined as rotating group:
 C111(H11A,H11B,H11C), C121(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.2190(2) 0.29225(17) 0.75771(16) 0.0189(4) Uani 1 1 d . . . . .
H1 H -0.287(2) 0.2917(19) 0.8151(18) 0.023 Uiso 1 1 d R . . . .
P1 P 0.06602(5) 0.10882(4) 0.82834(4) 0.01953(11) Uani 1 1 d . . . . .
Ni2 Ni -0.09184(2) 0.14902(2) 0.71595(2) 0.01349(7) Uani 1 1 d . . . . .
P2 P -0.22974(17) -0.03166(13) 0.66615(13) 0.0156(2) Uani 0.861(6) 1 d . U P A
1
B3 B -0.0277(2) 0.33519(18) 0.80149(16) 0.0144(4) Uani 1 1 d . . . . .
H3 H 0.037(2) 0.3799(18) 0.8903(17) 0.017 Uiso 1 1 d R . . . .
B4 B -0.1410(2) 0.43375(19) 0.77050(18) 0.0183(4) Uani 1 1 d . . . . .
H4 H -0.143(2) 0.5164(19) 0.8396(18) 0.022 Uiso 1 1 d R . . . .
B5 B -0.2914(2) 0.3381(2) 0.6570(2) 0.0229(5) Uani 1 1 d . . . . .
H5 H -0.406(2) 0.3591(19) 0.6548(18) 0.027 Uiso 1 1 d R . . . .
B6 B -0.2630(2) 0.1845(2) 0.61977(19) 0.0218(4) Uani 1 1 d . . . . .
H6 H -0.372(2) 0.1187(19) 0.5876(18) 0.026 Uiso 1 1 d R . . . .
B7 B 0.0599(2) 0.26956(18) 0.67973(16) 0.0140(4) Uani 1 1 d . . . . .
H7 H 0.180(2) 0.2732(18) 0.6905(16) 0.017 Uiso 1 1 d R . . . .
C8 C 0.02488(19) 0.41511(15) 0.72104(14) 0.0141(3) Uani 1 1 d . . . . .
B9 B -0.1333(2) 0.4230(2) 0.63299(18) 0.0193(4) Uani 1 1 d . . . . .
H9 H -0.130(2) 0.5045(19) 0.6176(18) 0.023 Uiso 1 1 d R . . . .
B10 B -0.2113(3) 0.2682(2) 0.53761(19) 0.0232(5) Uani 1 1 d . . . . .
H10 H -0.272(2) 0.246(2) 0.4531(19) 0.028 Uiso 1 1 d R . . . .
B11 B -0.0898(2) 0.17707(19) 0.56488(16) 0.0159(4) Uani 1 1 d . . . . .
H11 H -0.081(2) 0.1023(18) 0.4934(17) 0.019 Uiso 1 1 d R . . . .
B12 B -0.0111(2) 0.32487(19) 0.57772(17) 0.0180(4) Uani 1 1 d . . . . .
H12 H 0.066(2) 0.3477(18) 0.5277(17) 0.022 Uiso 1 1 d R . . . .
C101 C -0.0244(3) -0.0318(2) 0.8395(2) 0.0210(6) Uani 0.861(6) 1 d . . P A 1
H10A H 0.0550 -0.0692 0.8646 0.025 Uiso 0.861(6) 1 calc R . P A 1
H10B H -0.0907 -0.0132 0.8951 0.025 Uiso 0.861(6) 1 calc R . P A 1
C102 C -0.0065(15) -0.0633(13) 0.7881(14) 0.012(3) Uani 0.139(6) 1 d . U P A 2
H10C H 0.0110 -0.1122 0.7129 0.015 Uiso 0.139(6) 1 calc R . P A 2
H10D H 0.0465 -0.0882 0.8444 0.015 Uiso 0.139(6) 1 calc R . P A 2
C111 C 0.1321(2) 0.2136(2) 0.97555(17) 0.0279(4) Uani 1 1 d . . . . .
H11A H 0.1986 0.2890 0.9814 0.042 Uiso 1 1 calc GR . . . .
H11B H 0.1897 0.1754 1.0165 0.042 Uiso 1 1 calc GR . . . .
H11C H 0.0436 0.2332 1.0084 0.042 Uiso 1 1 calc GR . . . .
C121 C 0.2436(2) 0.08286(18) 0.78351(17) 0.0240(4) Uani 1 1 d . . . . .
H12A H 0.2199 0.0168 0.7077 0.036 Uiso 1 1 calc GR . . . .
H12B H 0.3055 0.0598 0.8364 0.036 Uiso 1 1 calc GR . . . .
H12C H 0.3010 0.1580 0.7823 0.036 Uiso 1 1 calc GR . . . .
C201 C -0.1201(3) -0.1193(2) 0.7226(2) 0.0224(7) Uani 0.861(6) 1 d . . P A 1
H20A H -0.1908 -0.1872 0.7282 0.027 Uiso 0.861(6) 1 calc R . P A 1
H20B H -0.0523 -0.1546 0.6720 0.027 Uiso 0.861(6) 1 calc R . P A 1
C202 C -0.1786(16) -0.0808(13) 0.7867(13) 0.021(4) Uani 0.139(6) 1 d . . P A 2
H20C H -0.1950 -0.0378 0.8637 0.026 Uiso 0.139(6) 1 calc R . P A 2
H20D H -0.2276 -0.1689 0.7593 0.026 Uiso 0.139(6) 1 calc R . P A 2
C211 C -0.2979(2) -0.13169(19) 0.52060(19) 0.0332(5) Uani 1 1 d . . . . .
H21A H -0.2116 -0.1374 0.4825 0.050 Uiso 0.861(6) 1 calc R . P A 1
H21B H -0.3466 -0.2132 0.5138 0.050 Uiso 0.861(6) 1 calc R . P A 1
H21C H -0.3730 -0.0994 0.4854 0.050 Uiso 0.861(6) 1 calc R . P A 1
H21D H -0.3420 -0.0925 0.4744 0.050 Uiso 0.139(6) 1 calc R . P A 2
H21E H -0.1999 -0.1477 0.5022 0.050 Uiso 0.139(6) 1 calc R . P A 2
H21F H -0.3688 -0.2091 0.5051 0.050 Uiso 0.139(6) 1 calc R . P A 2
C221 C -0.4046(3) -0.0321(2) 0.72299(19) 0.0364(5) Uani 1 1 d . . . A 1
H22A H -0.3785 0.0211 0.8038 0.055 Uiso 1 1 calc R . . A 1
H22B H -0.4775 -0.0020 0.6835 0.055 Uiso 1 1 calc R . . A 1
H22C H -0.4511 -0.1157 0.7119 0.055 Uiso 1 1 calc R . . A 1
C1' C 0.16126(19) 0.52529(16) 0.77543(14) 0.0150(3) Uani 1 1 d . . . . .
B2' B 0.2129(2) 0.60443(17) 0.69866(17) 0.0182(4) Uani 0.42(2) 1 d . . P B 2
C2' C 0.2129(2) 0.60443(17) 0.69866(17) 0.0182(4) Uani 0.58(2) 1 d . . P B 1
H2' H 0.150(2) 0.5726(19) 0.6187(19) 0.022 Uiso 1 1 d R . . . .
B3' B 0.1297(2) 0.67113(18) 0.81155(17) 0.0170(4) Uani 1 1 d . . . . .
H3' H 0.014(2) 0.6793(18) 0.7976(17) 0.020 Uiso 1 1 d R . . C 2
B4' B 0.1993(2) 0.62064(18) 0.91643(17) 0.0171(4) Uani 1 1 d . . . . .
H4' H 0.124(2) 0.6001(18) 0.9647(17) 0.021 Uiso 1 1 d R . . . .
B5' B 0.3203(2) 0.52135(19) 0.86272(17) 0.0183(4) Uani 1 1 d . . . . .
H5' H 0.323(2) 0.4382(19) 0.8806(17) 0.022 Uiso 1 1 d R . . . .
B6' B 0.3254(2) 0.51402(19) 0.72710(18) 0.0212(5) Uani 0.58(2) 1 d . . P B 1
C6' C 0.3254(2) 0.51402(19) 0.72710(18) 0.0212(5) Uani 0.42(2) 1 d . . P B 2
H6' H 0.319(2) 0.434(2) 0.6609(19) 0.025 Uiso 1 1 d R . . . .
B7' B 0.2890(2) 0.75639(19) 0.78713(18) 0.0204(4) Uani 1 1 d . . . . .
H7' H 0.270(2) 0.8243(19) 0.7570(18) 0.025 Uiso 1 1 d R . . D 2
B8' B 0.2830(2) 0.76820(19) 0.92589(18) 0.0202(4) Uani 1 1 d . . . . .
H8' H 0.264(2) 0.8498(19) 0.9899(18) 0.024 Uiso 1 1 d R . . . .
B9' B 0.4013(2) 0.6754(2) 0.95708(19) 0.0214(4) Uani 1 1 d . . . . .
H9' H 0.459(2) 0.6954(19) 1.0409(18) 0.026 Uiso 1 1 d R . . . .
B10' B 0.4797(2) 0.6065(2) 0.83742(19) 0.0223(4) Uani 1 1 d . . . . .
H10' H 0.586(2) 0.5825(19) 0.8420(18) 0.027 Uiso 1 1 d R . . . .
B11' B 0.4101(2) 0.6571(2) 0.73236(19) 0.0219(4) Uani 1 1 d . . . . .
H11' H 0.467(2) 0.6582(19) 0.6653(19) 0.026 Uiso 1 1 d R . . . .
B12' B 0.4569(2) 0.7600(2) 0.87707(19) 0.0220(4) Uani 1 1 d . . . . .
H12' H 0.555(2) 0.838(2) 0.9114(18) 0.026 Uiso 1 1 d R . . . .
P2A P -0.2618(10) -0.0162(9) 0.6911(8) 0.0157(14) Uani 0.139(6) 1 d . U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 1.03(2) . ?
C1 Ni2 2.1755(18) . ?
C1 B3 1.676(3) . ?
C1 B4 1.682(3) . ?
C1 B5 1.704(3) . ?
C1 B6 1.728(3) . ?
P1 Ni2 2.1507(5) . ?
P1 C101 1.834(2) . ?
P1 C102 1.922(13) . ?
P1 C111 1.812(2) . ?
P1 C121 1.818(2) . ?
Ni2 P2 2.1445(14) . ?
Ni2 B3 2.044(2) . ?
Ni2 B6 2.062(2) . ?
Ni2 B7 2.074(2) . ?
Ni2 B11 2.131(2) . ?
Ni2 P2A 2.205(9) . ?
P2 C201 1.840(3) . ?
P2 C211 1.783(3) . ?
P2 C221 1.839(3) . ?
B3 H3 1.11(2) . ?
B3 B4 1.812(3) . ?
B3 B7 1.843(3) . ?
B3 C8 1.741(3) . ?
B4 H4 1.07(2) . ?
B4 B5 1.745(3) . ?
B4 C8 1.728(3) . ?
B4 B9 1.767(3) . ?
B5 H5 1.10(2) . ?
B5 B6 1.809(3) . ?
B5 B9 1.761(3) . ?
B5 B10 1.788(3) . ?
B6 H6 1.08(2) . ?
B6 B10 1.792(3) . ?
B6 B11 1.813(3) . ?
B7 H7 1.06(2) . ?
B7 C8 1.735(3) . ?
B7 B11 1.742(3) . ?
B7 B12 1.795(3) . ?
C8 B9 1.749(2) . ?
C8 B12 1.731(3) . ?
C8 C1' 1.525(2) . ?
B9 H9 1.08(2) . ?
B9 B10 1.774(3) . ?
B9 B12 1.776(3) . ?
B10 H10 1.08(2) . ?
B10 B11 1.770(3) . ?
B10 B12 1.759(3) . ?
B11 H11 1.05(2) . ?
B11 B12 1.753(3) . ?
B12 H12 1.09(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C201 1.529(3) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C102 C202 1.53(2) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C202 P2A 1.848(16) . ?
C211 H21A 0.9800 . ?
C211 H21B 0.9800 . ?
C211 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C211 H21F 0.9800 . ?
C211 P2A 2.085(10) . ?
C221 H22A 0.9800 . ?
C221 H22B 0.9800 . ?
C221 H22C 0.9800 . ?
C1' B2' 1.691(3) . ?
C1' C2' 1.691(3) . ?
C1' B3' 1.731(3) . ?
C1' B4' 1.719(3) . ?
C1' B5' 1.729(3) . ?
C1' B6' 1.697(3) . ?
C1' C6' 1.697(3) . ?
B2' H2' 1.01(2) . ?
B2' B3' 1.734(3) . ?
B2' C6' 1.712(3) . ?
B2' B7' 1.725(3) . ?
B2' B11' 1.729(3) . ?
C2' H2' 1.01(2) . ?
C2' B3' 1.734(3) . ?
C2' B6' 1.712(3) . ?
C2' B7' 1.725(3) . ?
C2' B11' 1.729(3) . ?
B3' H3' 1.07(2) . ?
B3' B4' 1.781(3) . ?
B3' B7' 1.773(3) . ?
B3' B8' 1.768(3) . ?
B4' H4' 1.05(2) . ?
B4' B5' 1.771(3) . ?
B4' B8' 1.777(3) . ?
B4' B9' 1.771(3) . ?
B5' H5' 1.12(2) . ?
B5' B6' 1.751(3) . ?
B5' C6' 1.751(3) . ?
B5' B9' 1.767(3) . ?
B5' B10' 1.778(3) . ?
B6' H6' 1.02(2) . ?
B6' B10' 1.737(3) . ?
B6' B11' 1.751(3) . ?
C6' H6' 1.02(2) . ?
C6' B10' 1.737(3) . ?
C6' B11' 1.751(3) . ?
B7' H7' 1.07(2) . ?
B7' B8' 1.777(3) . ?
B7' B11' 1.775(3) . ?
B7' B12' 1.773(3) . ?
B8' H8' 1.08(2) . ?
B8' B9' 1.785(3) . ?
B8' B12' 1.781(3) . ?
B9' H9' 1.07(2) . ?
B9' B10' 1.779(3) . ?
B9' B12' 1.785(3) . ?
B10' H10' 1.05(2) . ?
B10' B11' 1.784(3) . ?
B10' B12' 1.788(3) . ?
B11' H11' 1.08(2) . ?
B11' B12' 1.776(3) . ?
B12' H12' 1.09(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ni2 C1 H1 114.9(12) . . ?
B3 C1 H1 119.6(12) . . ?
B3 C1 Ni2 62.54(9) . . ?
B3 C1 B4 65.31(12) . . ?
B3 C1 B5 114.76(15) . . ?
B3 C1 B6 108.33(14) . . ?
B4 C1 H1 113.5(12) . . ?
B4 C1 Ni2 121.01(12) . . ?
B4 C1 B5 62.05(12) . . ?
B4 C1 B6 112.95(15) . . ?
B5 C1 H1 115.0(12) . . ?
B5 C1 Ni2 120.25(13) . . ?
B5 C1 B6 63.61(12) . . ?
B6 C1 H1 123.2(12) . . ?
B6 C1 Ni2 62.53(9) . . ?
C101 P1 Ni2 109.39(7) . . ?
C102 P1 Ni2 104.3(4) . . ?
C111 P1 Ni2 120.50(7) . . ?
C111 P1 C101 101.62(12) . . ?
C111 P1 C102 120.0(5) . . ?
C111 P1 C121 102.92(9) . . ?
C121 P1 Ni2 114.75(7) . . ?
C121 P1 C101 106.08(11) . . ?
C121 P1 C102 90.7(5) . . ?
C1 Ni2 P2A 103.7(3) . . ?
P1 Ni2 C1 128.39(5) . . ?
P1 Ni2 P2A 89.3(2) . . ?
P2 Ni2 C1 114.16(7) . . ?
P2 Ni2 P1 87.49(4) . . ?
B3 Ni2 C1 46.68(7) . . ?
B3 Ni2 P1 96.19(6) . . ?
B3 Ni2 P2 156.37(7) . . ?
B3 Ni2 B6 84.47(8) . . ?
B3 Ni2 B7 53.18(8) . . ?
B3 Ni2 B11 87.18(8) . . ?
B3 Ni2 P2A 144.0(3) . . ?
B6 Ni2 C1 48.04(8) . . ?
B6 Ni2 P1 172.85(7) . . ?
B6 Ni2 P2 89.11(7) . . ?
B6 Ni2 B7 86.36(8) . . ?
B6 Ni2 B11 51.20(9) . . ?
B6 Ni2 P2A 86.1(2) . . ?
B7 Ni2 C1 84.74(7) . . ?
B7 Ni2 P1 99.75(5) . . ?
B7 Ni2 P2 149.12(7) . . ?
B7 Ni2 B11 48.94(8) . . ?
B7 Ni2 P2A 160.0(3) . . ?
B11 Ni2 C1 84.41(8) . . ?
B11 Ni2 P1 135.90(6) . . ?
B11 Ni2 P2 106.34(7) . . ?
B11 Ni2 P2A 113.1(3) . . ?
C201 P2 Ni2 109.30(9) . . ?
C211 P2 Ni2 120.77(12) . . ?
C211 P2 C201 103.17(12) . . ?
C211 P2 C221 103.41(12) . . ?
C221 P2 Ni2 113.01(11) . . ?
C221 P2 C201 105.85(13) . . ?
C1 B3 Ni2 70.79(9) . . ?
C1 B3 H3 126.2(10) . . ?
C1 B3 B4 57.50(11) . . ?
C1 B3 B7 108.88(13) . . ?
C1 B3 C8 102.37(13) . . ?
Ni2 B3 H3 122.1(10) . . ?
B4 B3 Ni2 121.50(12) . . ?
B4 B3 H3 110.2(10) . . ?
B4 B3 B7 107.12(13) . . ?
B7 B3 Ni2 64.23(9) . . ?
B7 B3 H3 124.0(10) . . ?
C8 B3 Ni2 115.20(11) . . ?
C8 B3 H3 113.0(10) . . ?
C8 B3 B4 58.17(11) . . ?
C8 B3 B7 57.83(10) . . ?
C1 B4 B3 57.19(11) . . ?
C1 B4 H4 124.1(11) . . ?
C1 B4 B5 59.60(12) . . ?
C1 B4 C8 102.67(14) . . ?
C1 B4 B9 106.87(15) . . ?
B3 B4 H4 117.1(11) . . ?
B5 B4 B3 106.32(14) . . ?
B5 B4 H4 127.8(11) . . ?
B5 B4 B9 60.17(13) . . ?
C8 B4 B3 58.86(10) . . ?
C8 B4 H4 120.7(11) . . ?
C8 B4 B5 105.62(15) . . ?
C8 B4 B9 60.03(11) . . ?
B9 B4 B3 108.36(14) . . ?
B9 B4 H4 124.1(11) . . ?
C1 B5 B4 58.35(12) . . ?
C1 B5 H5 119.3(12) . . ?
C1 B5 B6 58.84(12) . . ?
C1 B5 B9 106.20(14) . . ?
C1 B5 B10 106.40(14) . . ?
B4 B5 H5 119.0(11) . . ?
B4 B5 B6 106.23(14) . . ?
B4 B5 B9 60.55(12) . . ?
B4 B5 B10 108.07(15) . . ?
B6 B5 H5 123.0(11) . . ?
B9 B5 H5 124.2(11) . . ?
B9 B5 B6 107.05(15) . . ?
B9 B5 B10 59.96(13) . . ?
B10 B5 H5 126.3(11) . . ?
B10 B5 B6 59.77(13) . . ?
C1 B6 Ni2 69.43(9) . . ?
C1 B6 B5 57.55(12) . . ?
C1 B6 H6 119.6(12) . . ?
C1 B6 B10 105.20(15) . . ?
C1 B6 B11 109.58(14) . . ?
Ni2 B6 H6 117.1(11) . . ?
B5 B6 Ni2 121.07(13) . . ?
B5 B6 H6 110.5(11) . . ?
B5 B6 B11 107.79(15) . . ?
B10 B6 Ni2 119.01(13) . . ?
B10 B6 B5 59.55(13) . . ?
B10 B6 H6 116.9(12) . . ?
B10 B6 B11 58.81(12) . . ?
B11 B6 Ni2 66.38(9) . . ?
B11 B6 H6 128.5(11) . . ?
Ni2 B7 H7 122.8(11) . . ?
B3 B7 Ni2 62.59(9) . . ?
B3 B7 H7 121.4(11) . . ?
C8 B7 Ni2 114.00(12) . . ?
C8 B7 B3 58.12(10) . . ?
C8 B7 H7 111.3(11) . . ?
C8 B7 B11 104.81(13) . . ?
C8 B7 B12 58.70(10) . . ?
B11 B7 Ni2 67.25(10) . . ?
B11 B7 B3 106.82(14) . . ?
B11 B7 H7 129.9(11) . . ?
B11 B7 B12 59.39(11) . . ?
B12 B7 Ni2 118.85(12) . . ?
B12 B7 B3 106.26(13) . . ?
B12 B7 H7 113.7(11) . . ?
B3 C8 B9 112.55(13) . . ?
B4 C8 B3 62.97(11) . . ?
B4 C8 B7 116.20(14) . . ?
B4 C8 B9 61.10(11) . . ?
B4 C8 B12 112.75(13) . . ?
B7 C8 B3 64.05(11) . . ?
B7 C8 B9 113.50(13) . . ?
B12 C8 B3 113.94(14) . . ?
B12 C8 B7 62.37(11) . . ?
B12 C8 B9 61.36(11) . . ?
C1' C8 B3 117.78(13) . . ?
C1' C8 B4 116.13(14) . . ?
C1' C8 B7 118.48(14) . . ?
C1' C8 B9 118.73(14) . . ?
C1' C8 B12 120.15(15) . . ?
B4 B9 H9 118.1(11) . . ?
B4 B9 B10 107.73(16) . . ?
B4 B9 B12 108.77(14) . . ?
B5 B9 B4 59.29(12) . . ?
B5 B9 H9 126.6(11) . . ?
B5 B9 B10 60.79(13) . . ?
B5 B9 B12 108.74(15) . . ?
C8 B9 B4 58.87(11) . . ?
C8 B9 B5 104.07(14) . . ?
C8 B9 H9 118.8(11) . . ?
C8 B9 B10 103.50(14) . . ?
C8 B9 B12 58.83(10) . . ?
B10 B9 H9 128.7(11) . . ?
B10 B9 B12 59.42(12) . . ?
B12 B9 H9 119.8(11) . . ?
B5 B10 B6 60.69(13) . . ?
B5 B10 H10 121.1(12) . . ?
B6 B10 H10 123.6(12) . . ?
B9 B10 B5 59.25(12) . . ?
B9 B10 B6 107.22(15) . . ?
B9 B10 H10 120.6(12) . . ?
B11 B10 B5 110.63(15) . . ?
B11 B10 B6 61.17(12) . . ?
B11 B10 B9 108.79(14) . . ?
B11 B10 H10 121.0(12) . . ?
B12 B10 B5 108.23(15) . . ?
B12 B10 B6 107.41(14) . . ?
B12 B10 B9 60.34(12) . . ?
B12 B10 H10 120.9(12) . . ?
B12 B10 B11 59.56(12) . . ?
Ni2 B11 H11 116.8(11) . . ?
B6 B11 Ni2 62.42(9) . . ?
B6 B11 H11 122.8(11) . . ?
B7 B11 Ni2 63.81(9) . . ?
B7 B11 B6 105.47(14) . . ?
B7 B11 B10 109.14(14) . . ?
B7 B11 H11 125.8(11) . . ?
B7 B11 B12 61.79(11) . . ?
B10 B11 Ni2 116.56(13) . . ?
B10 B11 B6 60.02(12) . . ?
B10 B11 H11 115.2(11) . . ?
B12 B11 Ni2 117.92(12) . . ?
B12 B11 B6 106.79(14) . . ?
B12 B11 B10 59.91(12) . . ?
B12 B11 H11 118.0(11) . . ?
B7 B12 H12 118.5(11) . . ?
C8 B12 B7 58.94(10) . . ?
C8 B12 B9 59.82(11) . . ?
C8 B12 B10 104.86(15) . . ?
C8 B12 B11 104.55(14) . . ?
C8 B12 H12 118.8(11) . . ?
B9 B12 B7 109.39(15) . . ?
B9 B12 H12 119.5(11) . . ?
B10 B12 B7 107.28(15) . . ?
B10 B12 B9 60.24(12) . . ?
B10 B12 H12 128.0(11) . . ?
B11 B12 B7 58.82(11) . . ?
B11 B12 B9 109.49(15) . . ?
B11 B12 B10 60.53(12) . . ?
B11 B12 H12 125.8(11) . . ?
P1 C101 H10A 110.2 . . ?
P1 C101 H10B 110.2 . . ?
H10A C101 H10B 108.5 . . ?
C201 C101 P1 107.38(17) . . ?
C201 C101 H10A 110.2 . . ?
C201 C101 H10B 110.2 . . ?
P1 C102 H10C 110.8 . . ?
P1 C102 H10D 110.8 . . ?
H10C C102 H10D 108.8 . . ?
C202 C102 P1 104.9(9) . . ?
C202 C102 H10C 110.8 . . ?
C202 C102 H10D 110.8 . . ?
P1 C111 H11A 109.5 . . ?
P1 C111 H11B 109.5 . . ?
P1 C111 H11C 109.5 . . ?
H11A C111 H11B 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
P1 C121 H12A 109.5 . . ?
P1 C121 H12B 109.5 . . ?
P1 C121 H12C 109.5 . . ?
H12A C121 H12B 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
P2 C201 H20A 110.1 . . ?
P2 C201 H20B 110.1 . . ?
C101 C201 P2 107.86(16) . . ?
C101 C201 H20A 110.1 . . ?
C101 C201 H20B 110.1 . . ?
H20A C201 H20B 108.4 . . ?
C102 C202 H20C 110.3 . . ?
C102 C202 H20D 110.3 . . ?
C102 C202 P2A 107.1(9) . . ?
H20C C202 H20D 108.6 . . ?
P2A C202 H20C 110.3 . . ?
P2A C202 H20D 110.3 . . ?
P2 C211 H21A 109.5 . . ?
P2 C211 H21B 109.5 . . ?
P2 C211 H21C 109.5 . . ?
H21A C211 H21B 109.5 . . ?
H21A C211 H21C 109.5 . . ?
H21B C211 H21C 109.5 . . ?
H21D C211 H21E 109.5 . . ?
H21D C211 H21F 109.5 . . ?
H21E C211 H21F 109.5 . . ?
P2A C211 H21D 109.5 . . ?
P2A C211 H21E 109.5 . . ?
P2A C211 H21F 109.5 . . ?
P2 C221 H22A 109.5 . . ?
P2 C221 H22B 109.5 . . ?
P2 C221 H22C 109.5 . . ?
H22A C221 H22B 109.5 . . ?
H22A C221 H22C 109.5 . . ?
H22B C221 H22C 109.5 . . ?
C8 C1' B2' 118.33(14) . . ?
C8 C1' C2' 118.33(14) . . ?
C8 C1' B3' 119.28(14) . . ?
C8 C1' B4' 122.17(15) . . ?
C8 C1' B5' 120.31(14) . . ?
C8 C1' B6' 118.23(14) . . ?
C8 C1' C6' 118.23(14) . . ?
B2' C1' B3' 60.88(11) . . ?
B2' C1' B4' 110.69(14) . . ?
B2' C1' B5' 110.93(13) . . ?
B2' C1' C6' 60.72(11) . . ?
C2' C1' B3' 60.88(11) . . ?
C2' C1' B4' 110.69(14) . . ?
C2' C1' B5' 110.93(13) . . ?
C2' C1' B6' 60.72(11) . . ?
B4' C1' B3' 62.18(11) . . ?
B4' C1' B5' 61.82(11) . . ?
B5' C1' B3' 112.89(14) . . ?
B6' C1' B3' 111.30(14) . . ?
B6' C1' B4' 111.29(14) . . ?
B6' C1' B5' 61.48(11) . . ?
C6' C1' B3' 111.30(14) . . ?
C6' C1' B4' 111.29(14) . . ?
C6' C1' B5' 61.48(11) . . ?
C1' B2' H2' 116.0(12) . . ?
C1' B2' B3' 60.71(11) . . ?
C1' B2' C6' 59.83(11) . . ?
C1' B2' B7' 109.59(14) . . ?
C1' B2' B11' 109.59(14) . . ?
B3' B2' H2' 119.4(12) . . ?
C6' B2' H2' 116.8(12) . . ?
C6' B2' B3' 110.44(15) . . ?
C6' B2' B7' 110.67(15) . . ?
C6' B2' B11' 61.16(12) . . ?
B7' B2' H2' 125.7(12) . . ?
B7' B2' B3' 61.68(12) . . ?
B7' B2' B11' 61.86(12) . . ?
B11' B2' H2' 122.7(12) . . ?
B11' B2' B3' 112.25(15) . . ?
C1' C2' H2' 116.0(12) . . ?
C1' C2' B3' 60.71(11) . . ?
C1' C2' B6' 59.83(11) . . ?
C1' C2' B7' 109.59(14) . . ?
C1' C2' B11' 109.59(14) . . ?
B3' C2' H2' 119.4(12) . . ?
B6' C2' H2' 116.8(12) . . ?
B6' C2' B3' 110.44(15) . . ?
B6' C2' B7' 110.67(15) . . ?
B6' C2' B11' 61.16(12) . . ?
B7' C2' H2' 125.7(12) . . ?
B7' C2' B3' 61.68(12) . . ?
B7' C2' B11' 61.86(12) . . ?
B11' C2' H2' 122.7(12) . . ?
B11' C2' B3' 112.25(15) . . ?
C1' B3' B2' 58.41(11) . . ?
C1' B3' C2' 58.41(11) . . ?
C1' B3' H3' 117.6(11) . . ?
C1' B3' B4' 58.57(11) . . ?
C1' B3' B7' 105.58(14) . . ?
C1' B3' B8' 105.45(14) . . ?
B2' B3' H3' 120.6(11) . . ?
B2' B3' B4' 105.83(14) . . ?
B2' B3' B7' 58.90(12) . . ?
B2' B3' B8' 106.01(15) . . ?
C2' B3' B4' 105.83(14) . . ?
C2' B3' B7' 58.90(12) . . ?
C2' B3' B8' 106.01(15) . . ?
B4' B3' H3' 120.5(11) . . ?
B7' B3' H3' 126.5(11) . . ?
B7' B3' B4' 108.04(14) . . ?
B8' B3' H3' 127.9(11) . . ?
B8' B3' B4' 60.07(12) . . ?
B8' B3' B7' 60.24(12) . . ?
C1' B4' B3' 59.25(11) . . ?
C1' B4' H4' 117.1(11) . . ?
C1' B4' B5' 59.38(11) . . ?
C1' B4' B8' 105.61(14) . . ?
C1' B4' B9' 105.66(15) . . ?
B3' B4' H4' 118.5(11) . . ?
B5' B4' B3' 108.51(15) . . ?
B5' B4' H4' 119.6(11) . . ?
B5' B4' B8' 108.40(15) . . ?
B5' B4' B9' 59.85(12) . . ?
B8' B4' B3' 59.60(12) . . ?
B8' B4' H4' 126.9(11) . . ?
B9' B4' B3' 108.02(15) . . ?
B9' B4' H4' 127.9(11) . . ?
B9' B4' B8' 60.41(12) . . ?
C1' B5' B4' 58.80(11) . . ?
C1' B5' H5' 119.9(11) . . ?
C1' B5' B6' 58.37(11) . . ?
C1' B5' C6' 58.37(11) . . ?
C1' B5' B9' 105.40(14) . . ?
C1' B5' B10' 105.26(14) . . ?
B4' B5' H5' 122.2(11) . . ?
B4' B5' B10' 108.12(15) . . ?
B6' B5' B4' 106.37(14) . . ?
B6' B5' H5' 120.0(11) . . ?
B6' B5' B9' 106.33(16) . . ?
B6' B5' B10' 58.94(12) . . ?
C6' B5' B4' 106.37(14) . . ?
C6' B5' H5' 120.0(11) . . ?
C6' B5' B9' 106.33(16) . . ?
C6' B5' B10' 58.94(12) . . ?
B9' B5' B4' 60.09(12) . . ?
B9' B5' H5' 126.9(11) . . ?
B9' B5' B10' 60.24(13) . . ?
B10' B5' H5' 124.2(11) . . ?
C1' B6' C2' 59.44(11) . . ?
C1' B6' B5' 60.15(11) . . ?
C1' B6' H6' 114.9(12) . . ?
C1' B6' B10' 108.53(15) . . ?
C1' B6' B11' 108.26(15) . . ?
C2' B6' B5' 108.83(15) . . ?
C2' B6' H6' 115.2(12) . . ?
C2' B6' B10' 108.79(15) . . ?
C2' B6' B11' 59.90(12) . . ?
B5' B6' H6' 121.9(12) . . ?
B10' B6' B5' 61.30(13) . . ?
B10' B6' H6' 129.2(12) . . ?
B10' B6' B11' 61.54(13) . . ?
B11' B6' B5' 111.10(16) . . ?
B11' B6' H6' 123.0(12) . . ?
C1' C6' B2' 59.44(11) . . ?
C1' C6' B5' 60.15(11) . . ?
C1' C6' H6' 114.9(12) . . ?
C1' C6' B10' 108.53(15) . . ?
C1' C6' B11' 108.26(15) . . ?
B2' C6' B5' 108.83(15) . . ?
B2' C6' H6' 115.2(12) . . ?
B2' C6' B10' 108.79(15) . . ?
B2' C6' B11' 59.90(12) . . ?
B5' C6' H6' 121.9(12) . . ?
B10' C6' B5' 61.30(13) . . ?
B10' C6' H6' 129.2(12) . . ?
B10' C6' B11' 61.54(13) . . ?
B11' C6' B5' 111.10(16) . . ?
B11' C6' H6' 123.0(12) . . ?
B2' B7' B3' 59.42(12) . . ?
B2' B7' H7' 118.6(12) . . ?
B2' B7' B8' 106.04(15) . . ?
B2' B7' B11' 59.20(12) . . ?
B2' B7' B12' 106.10(15) . . ?
C2' B7' B3' 59.42(12) . . ?
C2' B7' B8' 106.04(15) . . ?
C2' B7' B11' 59.20(12) . . ?
C2' B7' B12' 106.10(15) . . ?
B3' B7' H7' 117.9(12) . . ?
B3' B7' B8' 59.76(12) . . ?
B3' B7' B11' 108.26(15) . . ?
B3' B7' B12' 108.10(15) . . ?
B8' B7' H7' 124.7(12) . . ?
B11' B7' H7' 121.7(12) . . ?
B11' B7' B8' 108.26(15) . . ?
B12' B7' H7' 127.2(12) . . ?
B12' B7' B8' 60.23(13) . . ?
B12' B7' B11' 60.08(12) . . ?
B3' B8' B4' 60.33(11) . . ?
B3' B8' B7' 60.00(12) . . ?
B3' B8' H8' 119.4(11) . . ?
B3' B8' B9' 107.99(15) . . ?
B3' B8' B12' 107.93(15) . . ?
B4' B8' B7' 108.06(15) . . ?
B4' B8' H8' 120.4(11) . . ?
B4' B8' B9' 59.65(12) . . ?
B4' B8' B12' 107.81(15) . . ?
B7' B8' H8' 121.7(11) . . ?
B7' B8' B9' 107.81(15) . . ?
B7' B8' B12' 59.78(12) . . ?
B9' B8' H8' 123.3(11) . . ?
B12' B8' H8' 124.0(11) . . ?
B12' B8' B9' 60.08(13) . . ?
B4' B9' B8' 59.95(12) . . ?
B4' B9' H9' 119.9(12) . . ?
B4' B9' B10' 108.06(15) . . ?
B4' B9' B12' 107.88(14) . . ?
B5' B9' B4' 60.06(12) . . ?
B5' B9' B8' 108.20(14) . . ?
B5' B9' H9' 119.3(12) . . ?
B5' B9' B10' 60.19(12) . . ?
B5' B9' B12' 108.38(15) . . ?
B8' B9' H9' 122.6(12) . . ?
B8' B9' B12' 59.86(12) . . ?
B10' B9' B8' 108.08(16) . . ?
B10' B9' H9' 122.2(12) . . ?
B10' B9' B12' 60.19(13) . . ?
B12' B9' H9' 124.1(12) . . ?
B5' B10' B9' 59.57(12) . . ?
B5' B10' H10' 120.6(12) . . ?
B5' B10' B11' 108.31(14) . . ?
B5' B10' B12' 107.78(15) . . ?
B6' B10' B5' 59.76(12) . . ?
B6' B10' B9' 106.44(15) . . ?
B6' B10' H10' 120.6(12) . . ?
B6' B10' B11' 59.62(12) . . ?
B6' B10' B12' 106.42(15) . . ?
C6' B10' B5' 59.76(12) . . ?
C6' B10' B9' 106.44(15) . . ?
C6' B10' H10' 120.6(12) . . ?
C6' B10' B11' 59.62(12) . . ?
C6' B10' B12' 106.42(15) . . ?
B9' B10' H10' 123.9(12) . . ?
B9' B10' B11' 107.80(15) . . ?
B9' B10' B12' 60.07(13) . . ?
B11' B10' H10' 121.1(12) . . ?
B11' B10' B12' 59.64(12) . . ?
B12' B10' H10' 124.2(12) . . ?
B2' B11' C6' 58.95(11) . . ?
B2' B11' B7' 58.94(12) . . ?
B2' B11' B10' 105.90(15) . . ?
B2' B11' H11' 118.0(12) . . ?
B2' B11' B12' 105.76(15) . . ?
C2' B11' B6' 58.95(11) . . ?
C2' B11' B7' 58.94(12) . . ?
C2' B11' B10' 105.90(15) . . ?
C2' B11' H11' 118.0(12) . . ?
C2' B11' B12' 105.76(15) . . ?
B6' B11' B7' 106.58(15) . . ?
B6' B11' B10' 58.83(12) . . ?
B6' B11' H11' 117.5(12) . . ?
B6' B11' B12' 106.30(16) . . ?
C6' B11' B7' 106.58(15) . . ?
C6' B11' B10' 58.83(12) . . ?
C6' B11' H11' 117.5(12) . . ?
C6' B11' B12' 106.30(16) . . ?
B7' B11' B10' 108.05(16) . . ?
B7' B11' H11' 123.7(11) . . ?
B7' B11' B12' 59.90(12) . . ?
B10' B11' H11' 123.8(11) . . ?
B12' B11' B10' 60.27(13) . . ?
B12' B11' H11' 129.2(12) . . ?
B7' B12' B8' 59.99(12) . . ?
B7' B12' B9' 107.97(15) . . ?
B7' B12' B10' 108.01(15) . . ?
B7' B12' B11' 60.02(12) . . ?
B7' B12' H12' 121.9(11) . . ?
B8' B12' B9' 60.07(12) . . ?
B8' B12' B10' 107.88(15) . . ?
B8' B12' H12' 121.6(11) . . ?
B9' B12' B10' 59.73(13) . . ?
B9' B12' H12' 121.6(12) . . ?
B10' B12' H12' 121.8(11) . . ?
B11' B12' B8' 108.02(15) . . ?
B11' B12' B9' 107.88(15) . . ?
B11' B12' B10' 60.09(12) . . ?
B11' B12' H12' 121.9(12) . . ?
C202 P2A Ni2 107.1(6) . . ?
C202 P2A C211 113.4(6) . . ?
C211 P2A Ni2 105.7(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 B3 B4 B5 -35.30(14) . . . . ?
C1 B3 B4 C8 -133.98(15) . . . . ?
C1 B3 B4 B9 -98.62(16) . . . . ?
C1 B3 B7 Ni2 -56.55(11) . . . . ?
C1 B3 B7 C8 93.01(14) . . . . ?
C1 B3 B7 B11 -4.26(18) . . . . ?
C1 B3 B7 B12 57.97(17) . . . . ?
C1 B3 C8 B4 38.41(13) . . . . ?
C1 B3 C8 B7 -104.67(14) . . . . ?
C1 B3 C8 B9 1.47(17) . . . . ?
C1 B3 C8 B12 -65.98(17) . . . . ?
C1 B3 C8 C1' 145.27(15) . . . . ?
C1 B4 B5 B6 -35.68(14) . . . . ?
C1 B4 B5 B9 -136.42(15) . . . . ?
C1 B4 B5 B10 -98.50(16) . . . . ?
C1 B4 C8 B3 -38.31(12) . . . . ?
C1 B4 C8 B7 -1.30(18) . . . . ?
C1 B4 C8 B9 102.35(15) . . . . ?
C1 B4 C8 B12 67.95(17) . . . . ?
C1 B4 C8 C1' -147.73(15) . . . . ?
C1 B4 B9 B5 38.41(13) . . . . ?
C1 B4 B9 C8 -95.14(14) . . . . ?
C1 B4 B9 B10 0.21(19) . . . . ?
C1 B4 B9 B12 -62.70(18) . . . . ?
C1 B5 B6 Ni2 -29.63(15) . . . . ?
C1 B5 B6 B10 -137.25(15) . . . . ?
C1 B5 B6 B11 -102.30(15) . . . . ?
C1 B5 B9 B4 -37.67(14) . . . . ?
C1 B5 B9 C8 2.09(19) . . . . ?
C1 B5 B9 B10 99.88(16) . . . . ?
C1 B5 B9 B12 63.50(18) . . . . ?
C1 B5 B10 B6 37.27(13) . . . . ?
C1 B5 B10 B9 -99.54(15) . . . . ?
C1 B5 B10 B11 0.6(2) . . . . ?
C1 B5 B10 B12 -62.89(18) . . . . ?
C1 B6 B10 B5 -36.41(13) . . . . ?
C1 B6 B10 B9 1.59(18) . . . . ?
C1 B6 B10 B11 103.97(14) . . . . ?
C1 B6 B10 B12 65.12(18) . . . . ?
C1 B6 B11 Ni2 55.77(12) . . . . ?
C1 B6 B11 B7 7.16(19) . . . . ?
C1 B6 B11 B10 -96.31(16) . . . . ?
C1 B6 B11 B12 -57.45(17) . . . . ?
P1 C101 C201 P2 -45.7(2) . . . . ?
P1 C102 C202 P2A 54.4(12) . . . . ?
Ni2 C1 B3 B4 151.40(12) . . . . ?
Ni2 C1 B3 B7 52.72(11) . . . . ?
Ni2 C1 B3 C8 112.65(12) . . . . ?
Ni2 C1 B4 B3 -29.71(12) . . . . ?
Ni2 C1 B4 B5 110.27(15) . . . . ?
Ni2 C1 B4 C8 9.43(18) . . . . ?
Ni2 C1 B4 B9 71.60(16) . . . . ?
Ni2 C1 B5 B4 -111.44(15) . . . . ?
Ni2 C1 B5 B6 27.68(13) . . . . ?
Ni2 C1 B5 B9 -72.76(17) . . . . ?
Ni2 C1 B5 B10 -10.01(19) . . . . ?
Ni2 C1 B6 B5 -153.11(13) . . . . ?
Ni2 C1 B6 B10 -115.78(13) . . . . ?
Ni2 C1 B6 B11 -54.01(11) . . . . ?
Ni2 P1 C101 C201 37.8(2) . . . . ?
Ni2 P2 C201 C101 36.90(19) . . . . ?
Ni2 B3 B4 C1 32.02(14) . . . . ?
Ni2 B3 B4 B5 -3.3(2) . . . . ?
Ni2 B3 B4 C8 -101.97(14) . . . . ?
Ni2 B3 B4 B9 -66.61(18) . . . . ?
Ni2 B3 B7 C8 149.55(11) . . . . ?
Ni2 B3 B7 B11 52.29(11) . . . . ?
Ni2 B3 B7 B12 114.51(12) . . . . ?
Ni2 B3 C8 B4 112.80(14) . . . . ?
Ni2 B3 C8 B7 -30.29(11) . . . . ?
Ni2 B3 C8 B9 75.86(15) . . . . ?
Ni2 B3 C8 B12 8.41(17) . . . . ?
Ni2 B3 C8 C1' -140.34(13) . . . . ?
Ni2 B6 B10 B5 -111.00(16) . . . . ?
Ni2 B6 B10 B9 -73.00(18) . . . . ?
Ni2 B6 B10 B11 29.38(14) . . . . ?
Ni2 B6 B10 B12 -9.5(2) . . . . ?
Ni2 B6 B11 B7 -48.60(11) . . . . ?
Ni2 B6 B11 B10 -152.08(13) . . . . ?
Ni2 B6 B11 B12 -113.22(12) . . . . ?
Ni2 B7 C8 B3 29.50(11) . . . . ?
Ni2 B7 C8 B4 -7.10(18) . . . . ?
Ni2 B7 C8 B9 -75.18(16) . . . . ?
Ni2 B7 C8 B12 -110.33(13) . . . . ?
Ni2 B7 C8 C1' 138.51(13) . . . . ?
Ni2 B7 B11 B6 47.82(11) . . . . ?
Ni2 B7 B11 B10 110.90(14) . . . . ?
Ni2 B7 B11 B12 148.87(12) . . . . ?
Ni2 B7 B12 C8 102.04(14) . . . . ?
Ni2 B7 B12 B9 68.58(17) . . . . ?
Ni2 B7 B12 B10 4.79(19) . . . . ?
Ni2 B7 B12 B11 -32.98(13) . . . . ?
Ni2 B11 B12 B7 31.67(12) . . . . ?
Ni2 B11 B12 C8 -7.05(18) . . . . ?
Ni2 B11 B12 B9 -69.72(16) . . . . ?
Ni2 B11 B12 B10 -106.12(15) . . . . ?
B3 C1 B4 B5 139.98(15) . . . . ?
B3 C1 B4 C8 39.14(12) . . . . ?
B3 C1 B4 B9 101.31(15) . . . . ?
B3 C1 B5 B4 -40.05(15) . . . . ?
B3 C1 B5 B6 99.08(16) . . . . ?
B3 C1 B5 B9 -1.4(2) . . . . ?
B3 C1 B5 B10 61.39(19) . . . . ?
B3 C1 B6 Ni2 43.95(12) . . . . ?
B3 C1 B6 B5 -109.15(16) . . . . ?
B3 C1 B6 B10 -71.82(17) . . . . ?
B3 C1 B6 B11 -10.05(19) . . . . ?
B3 B4 B5 C1 34.27(13) . . . . ?
B3 B4 B5 B6 -1.4(2) . . . . ?
B3 B4 B5 B9 -102.15(15) . . . . ?
B3 B4 B5 B10 -64.23(18) . . . . ?
B3 B4 C8 B7 37.00(14) . . . . ?
B3 B4 C8 B9 140.65(14) . . . . ?
B3 B4 C8 B12 106.26(15) . . . . ?
B3 B4 C8 C1' -109.42(16) . . . . ?
B3 B4 B9 B5 98.68(16) . . . . ?
B3 B4 B9 C8 -34.87(13) . . . . ?
B3 B4 B9 B10 60.48(18) . . . . ?
B3 B4 B9 B12 -2.43(19) . . . . ?
B3 B7 C8 B4 -36.60(14) . . . . ?
B3 B7 C8 B9 -104.68(15) . . . . ?
B3 B7 C8 B12 -139.83(14) . . . . ?
B3 B7 C8 C1' 109.01(16) . . . . ?
B3 B7 B11 Ni2 -49.60(10) . . . . ?
B3 B7 B11 B6 -1.78(17) . . . . ?
B3 B7 B11 B10 61.30(18) . . . . ?
B3 B7 B11 B12 99.27(15) . . . . ?
B3 B7 B12 C8 34.79(12) . . . . ?
B3 B7 B12 B9 1.33(18) . . . . ?
B3 B7 B12 B10 -62.46(17) . . . . ?
B3 B7 B12 B11 -100.23(15) . . . . ?
B3 C8 B9 B4 37.70(14) . . . . ?
B3 C8 B9 B5 -2.27(18) . . . . ?
B3 C8 B9 B10 -65.06(18) . . . . ?
B3 C8 B9 B12 -105.89(15) . . . . ?
B3 C8 B12 B7 -39.39(13) . . . . ?
B3 C8 B12 B9 103.63(15) . . . . ?
B3 C8 B12 B10 62.09(17) . . . . ?
B3 C8 B12 B11 -0.72(18) . . . . ?
B3 C8 C1' B2' -179.58(13) . . . . ?
B3 C8 C1' C2' -179.58(13) . . . . ?
B3 C8 C1' B3' -108.95(17) . . . . ?
B3 C8 C1' B4' -35.2(2) . . . . ?
B3 C8 C1' B5' 38.7(2) . . . . ?
B3 C8 C1' B6' 110.36(17) . . . . ?
B3 C8 C1' C6' 110.36(17) . . . . ?
B4 C1 B3 Ni2 -151.40(12) . . . . ?
B4 C1 B3 B7 -98.68(15) . . . . ?
B4 C1 B3 C8 -38.75(13) . . . . ?
B4 C1 B5 B6 139.13(16) . . . . ?
B4 C1 B5 B9 38.69(14) . . . . ?
B4 C1 B5 B10 101.44(16) . . . . ?
B4 C1 B6 Ni2 114.22(13) . . . . ?
B4 C1 B6 B5 -38.88(14) . . . . ?
B4 C1 B6 B10 -1.55(19) . . . . ?
B4 C1 B6 B11 60.22(18) . . . . ?
B4 B3 B7 Ni2 -117.28(12) . . . . ?
B4 B3 B7 C8 32.27(12) . . . . ?
B4 B3 B7 B11 -64.99(17) . . . . ?
B4 B3 B7 B12 -2.76(17) . . . . ?
B4 B3 C8 B7 -143.09(14) . . . . ?
B4 B3 C8 B9 -36.94(14) . . . . ?
B4 B3 C8 B12 -104.39(15) . . . . ?
B4 B3 C8 C1' 106.86(16) . . . . ?
B4 B5 B6 C1 35.46(14) . . . . ?
B4 B5 B6 Ni2 5.8(2) . . . . ?
B4 B5 B6 B10 -101.78(17) . . . . ?
B4 B5 B6 B11 -66.83(19) . . . . ?
B4 B5 B9 C8 39.76(13) . . . . ?
B4 B5 B9 B10 137.55(15) . . . . ?
B4 B5 B9 B12 101.17(15) . . . . ?
B4 B5 B10 B6 98.63(16) . . . . ?
B4 B5 B10 B9 -38.18(14) . . . . ?
B4 B5 B10 B11 61.99(19) . . . . ?
B4 B5 B10 B12 -1.5(2) . . . . ?
B4 C8 B9 B5 -39.97(14) . . . . ?
B4 C8 B9 B10 -102.76(16) . . . . ?
B4 C8 B9 B12 -143.59(15) . . . . ?
B4 C8 B12 B7 -108.72(15) . . . . ?
B4 C8 B12 B9 34.30(14) . . . . ?
B4 C8 B12 B10 -7.24(19) . . . . ?
B4 C8 B12 B11 -70.05(17) . . . . ?
B4 C8 C1' B2' -107.87(17) . . . . ?
B4 C8 C1' C2' -107.87(17) . . . . ?
B4 C8 C1' B3' -37.2(2) . . . . ?
B4 C8 C1' B4' 36.5(2) . . . . ?
B4 C8 C1' B5' 110.38(17) . . . . ?
B4 C8 C1' B6' -177.92(14) . . . . ?
B4 C8 C1' C6' -177.92(14) . . . . ?
B4 B9 B10 B5 37.53(14) . . . . ?
B4 B9 B10 B6 -1.13(19) . . . . ?
B4 B9 B10 B11 -65.80(19) . . . . ?
B4 B9 B10 B12 -101.74(15) . . . . ?
B4 B9 B12 B7 0.7(2) . . . . ?
B4 B9 B12 C8 -32.46(14) . . . . ?
B4 B9 B12 B10 99.95(17) . . . . ?
B4 B9 B12 B11 63.42(18) . . . . ?
B5 C1 B3 Ni2 -112.68(14) . . . . ?
B5 C1 B3 B4 38.72(15) . . . . ?
B5 C1 B3 B7 -59.96(19) . . . . ?
B5 C1 B3 C8 -0.03(19) . . . . ?
B5 C1 B4 B3 -139.98(15) . . . . ?
B5 C1 B4 C8 -100.84(15) . . . . ?
B5 C1 B4 B9 -38.67(14) . . . . ?
B5 C1 B6 Ni2 153.11(13) . . . . ?
B5 C1 B6 B10 37.33(14) . . . . ?
B5 C1 B6 B11 99.10(16) . . . . ?
B5 B4 C8 B3 -99.90(15) . . . . ?
B5 B4 C8 B7 -62.90(18) . . . . ?
B5 B4 C8 B9 40.75(14) . . . . ?
B5 B4 C8 B12 6.36(19) . . . . ?
B5 B4 C8 C1' 150.67(15) . . . . ?
B5 B4 B9 C8 -133.55(15) . . . . ?
B5 B4 B9 B10 -38.20(14) . . . . ?
B5 B4 B9 B12 -101.11(16) . . . . ?
B5 B6 B10 B9 38.01(13) . . . . ?
B5 B6 B10 B11 140.39(15) . . . . ?
B5 B6 B10 B12 101.53(16) . . . . ?
B5 B6 B11 Ni2 116.82(14) . . . . ?
B5 B6 B11 B7 68.22(17) . . . . ?
B5 B6 B11 B10 -35.26(14) . . . . ?
B5 B6 B11 B12 3.60(18) . . . . ?
B5 B9 B10 B6 -38.66(14) . . . . ?
B5 B9 B10 B11 -103.33(17) . . . . ?
B5 B9 B10 B12 -139.27(15) . . . . ?
B5 B9 B12 B7 -62.32(18) . . . . ?
B5 B9 B12 C8 -95.43(15) . . . . ?
B5 B9 B12 B10 36.97(14) . . . . ?
B5 B9 B12 B11 0.44(19) . . . . ?
B5 B10 B11 Ni2 8.8(2) . . . . ?
B5 B10 B11 B6 36.45(15) . . . . ?
B5 B10 B11 B7 -60.78(19) . . . . ?
B5 B10 B11 B12 -99.59(16) . . . . ?
B5 B10 B12 B7 66.68(18) . . . . ?
B5 B10 B12 C8 5.15(19) . . . . ?
B5 B10 B12 B9 -36.18(14) . . . . ?
B5 B10 B12 B11 103.69(16) . . . . ?
B6 C1 B3 Ni2 -43.95(12) . . . . ?
B6 C1 B3 B4 107.45(16) . . . . ?
B6 C1 B3 B7 8.77(18) . . . . ?
B6 C1 B3 C8 68.70(16) . . . . ?
B6 C1 B4 B3 -100.44(15) . . . . ?
B6 C1 B4 B5 39.54(15) . . . . ?
B6 C1 B4 C8 -61.30(17) . . . . ?
B6 C1 B4 B9 0.87(19) . . . . ?
B6 C1 B5 B4 -139.13(16) . . . . ?
B6 C1 B5 B9 -100.44(16) . . . . ?
B6 C1 B5 B10 -37.69(14) . . . . ?
B6 B5 B9 B4 -99.35(16) . . . . ?
B6 B5 B9 C8 -59.59(17) . . . . ?
B6 B5 B9 B10 38.21(14) . . . . ?
B6 B5 B9 B12 1.82(19) . . . . ?
B6 B5 B10 B9 -136.81(14) . . . . ?
B6 B5 B10 B11 -36.64(14) . . . . ?
B6 B5 B10 B12 -100.16(15) . . . . ?
B6 B10 B11 Ni2 -27.65(12) . . . . ?
B6 B10 B11 B7 -97.23(16) . . . . ?
B6 B10 B11 B12 -136.03(15) . . . . ?
B6 B10 B12 B7 2.6(2) . . . . ?
B6 B10 B12 C8 -58.95(18) . . . . ?
B6 B10 B12 B9 -100.28(17) . . . . ?
B6 B10 B12 B11 39.60(14) . . . . ?
B6 B11 B12 B7 98.88(15) . . . . ?
B6 B11 B12 C8 60.16(16) . . . . ?
B6 B11 B12 B9 -2.51(18) . . . . ?
B6 B11 B12 B10 -38.92(14) . . . . ?
B7 B3 B4 C1 101.84(15) . . . . ?
B7 B3 B4 B5 66.54(17) . . . . ?
B7 B3 B4 C8 -32.14(12) . . . . ?
B7 B3 B4 B9 3.22(18) . . . . ?
B7 B3 C8 B4 143.09(14) . . . . ?
B7 B3 C8 B9 106.15(15) . . . . ?
B7 B3 C8 B12 38.70(13) . . . . ?
B7 B3 C8 C1' -110.06(16) . . . . ?
B7 C8 B9 B4 108.05(16) . . . . ?
B7 C8 B9 B5 68.09(18) . . . . ?
B7 C8 B9 B10 5.3(2) . . . . ?
B7 C8 B9 B12 -35.53(14) . . . . ?
B7 C8 B12 B9 143.01(15) . . . . ?
B7 C8 B12 B10 101.47(15) . . . . ?
B7 C8 B12 B11 38.66(13) . . . . ?
B7 C8 C1' B2' 106.50(17) . . . . ?
B7 C8 C1' C2' 106.50(17) . . . . ?
B7 C8 C1' B3' 177.14(14) . . . . ?
B7 C8 C1' B4' -109.08(18) . . . . ?
B7 C8 C1' B5' -35.3(2) . . . . ?
B7 C8 C1' B6' 36.4(2) . . . . ?
B7 C8 C1' C6' 36.4(2) . . . . ?
B7 B11 B12 C8 -38.72(13) . . . . ?
B7 B11 B12 B9 -101.39(15) . . . . ?
B7 B11 B12 B10 -137.79(16) . . . . ?
C8 B3 B4 C1 133.98(15) . . . . ?
C8 B3 B4 B5 98.68(16) . . . . ?
C8 B3 B4 B9 35.36(13) . . . . ?
C8 B3 B7 Ni2 -149.55(11) . . . . ?
C8 B3 B7 B11 -97.27(14) . . . . ?
C8 B3 B7 B12 -35.04(12) . . . . ?
C8 B4 B5 C1 95.74(15) . . . . ?
C8 B4 B5 B6 60.06(19) . . . . ?
C8 B4 B5 B9 -40.68(13) . . . . ?
C8 B4 B5 B10 -2.77(19) . . . . ?
C8 B4 B9 B5 133.55(15) . . . . ?
C8 B4 B9 B10 95.35(15) . . . . ?
C8 B4 B9 B12 32.44(13) . . . . ?
C8 B7 B11 Ni2 -110.21(12) . . . . ?
C8 B7 B11 B6 -62.39(16) . . . . ?
C8 B7 B11 B10 0.69(19) . . . . ?
C8 B7 B11 B12 38.66(13) . . . . ?
C8 B7 B12 B9 -33.46(13) . . . . ?
C8 B7 B12 B10 -97.25(16) . . . . ?
C8 B7 B12 B11 -135.02(15) . . . . ?
C8 B9 B10 B5 98.75(15) . . . . ?
C8 B9 B10 B6 60.09(18) . . . . ?
C8 B9 B10 B11 -4.6(2) . . . . ?
C8 B9 B10 B12 -40.52(13) . . . . ?
C8 B9 B12 B7 33.12(13) . . . . ?
C8 B9 B12 B10 132.40(15) . . . . ?
C8 B9 B12 B11 95.88(15) . . . . ?
C8 C1' B2' B3' 109.62(17) . . . . ?
C8 C1' B2' C6' -108.28(17) . . . . ?
C8 C1' B2' B7' 148.63(15) . . . . ?
C8 C1' B2' B11' -145.24(15) . . . . ?
C8 C1' C2' B3' 109.62(17) . . . . ?
C8 C1' C2' B6' -108.28(17) . . . . ?
C8 C1' C2' B7' 148.63(15) . . . . ?
C8 C1' C2' B11' -145.24(15) . . . . ?
C8 C1' B3' B2' -108.08(17) . . . . ?
C8 C1' B3' C2' -108.08(17) . . . . ?
C8 C1' B3' B4' 113.22(18) . . . . ?
C8 C1' B3' B7' -144.87(15) . . . . ?
C8 C1' B3' B8' 152.37(16) . . . . ?
C8 C1' B4' B3' -108.75(17) . . . . ?
C8 C1' B4' B5' 109.84(18) . . . . ?
C8 C1' B4' B8' -147.71(15) . . . . ?
C8 C1' B4' B9' 149.30(15) . . . . ?
C8 C1' B5' B4' -112.73(18) . . . . ?
C8 C1' B5' B6' 107.81(18) . . . . ?
C8 C1' B5' C6' 107.81(18) . . . . ?
C8 C1' B5' B9' -152.25(16) . . . . ?
C8 C1' B5' B10' 145.04(16) . . . . ?
C8 C1' B6' C2' 108.45(16) . . . . ?
C8 C1' B6' B5' -111.12(17) . . . . ?
C8 C1' B6' B10' -150.20(15) . . . . ?
C8 C1' B6' B11' 144.54(15) . . . . ?
C8 C1' C6' B2' 108.45(16) . . . . ?
C8 C1' C6' B5' -111.12(17) . . . . ?
C8 C1' C6' B10' -150.20(15) . . . . ?
C8 C1' C6' B11' 144.54(15) . . . . ?
B9 B4 B5 C1 136.42(15) . . . . ?
B9 B4 B5 B6 100.75(17) . . . . ?
B9 B4 B5 B10 37.92(14) . . . . ?
B9 B4 C8 B3 -140.65(14) . . . . ?
B9 B4 C8 B7 -103.65(15) . . . . ?
B9 B4 C8 B12 -34.39(14) . . . . ?
B9 B4 C8 C1' 109.92(16) . . . . ?
B9 B5 B6 C1 98.95(15) . . . . ?
B9 B5 B6 Ni2 69.3(2) . . . . ?
B9 B5 B6 B10 -38.29(14) . . . . ?
B9 B5 B6 B11 -3.35(19) . . . . ?
B9 B5 B10 B6 136.81(14) . . . . ?
B9 B5 B10 B11 100.17(16) . . . . ?
B9 B5 B10 B12 36.65(14) . . . . ?
B9 C8 B12 B7 -143.01(15) . . . . ?
B9 C8 B12 B10 -41.54(14) . . . . ?
B9 C8 B12 B11 -104.35(16) . . . . ?
B9 C8 C1' B2' -38.0(2) . . . . ?
B9 C8 C1' C2' -38.0(2) . . . . ?
B9 C8 C1' B3' 32.6(2) . . . . ?
B9 C8 C1' B4' 106.37(18) . . . . ?
B9 C8 C1' B5' -179.80(15) . . . . ?
B9 C8 C1' B6' -108.10(17) . . . . ?
B9 C8 C1' C6' -108.10(17) . . . . ?
B9 B10 B11 Ni2 72.12(18) . . . . ?
B9 B10 B11 B6 99.76(17) . . . . ?
B9 B10 B11 B7 2.5(2) . . . . ?
B9 B10 B11 B12 -36.27(15) . . . . ?
B9 B10 B12 B7 102.87(15) . . . . ?
B9 B10 B12 C8 41.33(13) . . . . ?
B9 B10 B12 B11 139.87(16) . . . . ?
B10 B5 B6 C1 137.25(15) . . . . ?
B10 B5 B6 Ni2 107.62(17) . . . . ?
B10 B5 B6 B11 34.95(14) . . . . ?
B10 B5 B9 B4 -137.55(15) . . . . ?
B10 B5 B9 C8 -97.80(15) . . . . ?
B10 B5 B9 B12 -36.38(13) . . . . ?
B10 B6 B11 Ni2 152.08(13) . . . . ?
B10 B6 B11 B7 103.47(15) . . . . ?
B10 B6 B11 B12 38.86(13) . . . . ?
B10 B9 B12 B7 -99.29(16) . . . . ?
B10 B9 B12 C8 -132.40(15) . . . . ?
B10 B9 B12 B11 -36.53(14) . . . . ?
B10 B11 B12 B7 137.79(16) . . . . ?
B10 B11 B12 C8 99.07(15) . . . . ?
B10 B11 B12 B9 36.40(14) . . . . ?
B11 B6 B10 B5 -140.39(15) . . . . ?
B11 B6 B10 B9 -102.38(15) . . . . ?
B11 B6 B10 B12 -38.85(14) . . . . ?
B11 B7 C8 B3 100.84(14) . . . . ?
B11 B7 C8 B4 64.23(18) . . . . ?
B11 B7 C8 B9 -3.84(19) . . . . ?
B11 B7 C8 B12 -39.00(14) . . . . ?
B11 B7 C8 C1' -150.16(15) . . . . ?
B11 B7 B12 C8 135.02(15) . . . . ?
B11 B7 B12 B9 101.56(16) . . . . ?
B11 B7 B12 B10 37.77(14) . . . . ?
B11 B10 B12 B7 -37.01(14) . . . . ?
B11 B10 B12 C8 -98.54(15) . . . . ?
B11 B10 B12 B9 -139.87(16) . . . . ?
B12 B7 C8 B3 139.83(14) . . . . ?
B12 B7 C8 B4 103.23(15) . . . . ?
B12 B7 C8 B9 35.15(14) . . . . ?
B12 B7 C8 C1' -111.16(17) . . . . ?
B12 B7 B11 Ni2 -148.87(12) . . . . ?
B12 B7 B11 B6 -101.05(15) . . . . ?
B12 B7 B11 B10 -37.97(15) . . . . ?
B12 C8 B9 B4 143.59(15) . . . . ?
B12 C8 B9 B5 103.62(16) . . . . ?
B12 C8 B9 B10 40.83(14) . . . . ?
B12 C8 C1' B2' 33.7(2) . . . . ?
B12 C8 C1' C2' 33.7(2) . . . . ?
B12 C8 C1' B3' 104.30(18) . . . . ?
B12 C8 C1' B4' 178.08(14) . . . . ?
B12 C8 C1' B5' -108.09(18) . . . . ?
B12 C8 C1' B6' -36.4(2) . . . . ?
B12 C8 C1' C6' -36.4(2) . . . . ?
B12 B9 B10 B5 139.27(15) . . . . ?
B12 B9 B10 B6 100.61(15) . . . . ?
B12 B9 B10 B11 35.94(15) . . . . ?
B12 B10 B11 Ni2 108.39(14) . . . . ?
B12 B10 B11 B6 136.03(15) . . . . ?
B12 B10 B11 B7 38.80(14) . . . . ?
C102 C202 P2A Ni2 -37.5(11) . . . . ?
C102 C202 P2A C211 78.6(12) . . . . ?
C111 P1 C101 C201 166.19(18) . . . . ?
C121 P1 C101 C201 -86.54(18) . . . . ?
C211 P2 C201 C101 166.6(2) . . . . ?
C221 P2 C201 C101 -85.1(2) . . . . ?
C1' C8 B9 B4 -105.73(17) . . . . ?
C1' C8 B9 B5 -145.69(16) . . . . ?
C1' C8 B9 B10 151.51(16) . . . . ?
C1' C8 B9 B12 110.69(17) . . . . ?
C1' C8 B12 B7 108.56(16) . . . . ?
C1' C8 B12 B9 -108.43(17) . . . . ?
C1' C8 B12 B10 -149.97(15) . . . . ?
C1' C8 B12 B11 147.22(15) . . . . ?
C1' B2' B3' B4' 35.83(12) . . . . ?
C1' B2' B3' B7' 137.65(14) . . . . ?
C1' B2' B3' B8' 98.56(15) . . . . ?
C1' B2' C6' B5' -35.71(13) . . . . ?
C1' B2' C6' B10' -100.89(16) . . . . ?
C1' B2' C6' B11' -139.71(15) . . . . ?
C1' B2' B7' B3' -38.58(13) . . . . ?
C1' B2' B7' B8' 0.29(19) . . . . ?
C1' B2' B7' B11' 102.31(15) . . . . ?
C1' B2' B7' B12' 63.25(18) . . . . ?
C1' B2' B11' C6' 36.40(14) . . . . ?
C1' B2' B11' B7' -102.32(16) . . . . ?
C1' B2' B11' B10' -0.51(19) . . . . ?
C1' B2' B11' B12' -63.42(18) . . . . ?
C1' C2' B3' B4' 35.83(12) . . . . ?
C1' C2' B3' B7' 137.65(14) . . . . ?
C1' C2' B3' B8' 98.56(15) . . . . ?
C1' C2' B6' B5' -35.71(13) . . . . ?
C1' C2' B6' B10' -100.89(16) . . . . ?
C1' C2' B6' B11' -139.71(15) . . . . ?
C1' C2' B7' B3' -38.58(13) . . . . ?
C1' C2' B7' B8' 0.29(19) . . . . ?
C1' C2' B7' B11' 102.31(15) . . . . ?
C1' C2' B7' B12' 63.25(18) . . . . ?
C1' C2' B11' B6' 36.40(14) . . . . ?
C1' C2' B11' B7' -102.32(16) . . . . ?
C1' C2' B11' B10' -0.51(19) . . . . ?
C1' C2' B11' B12' -63.42(18) . . . . ?
C1' B3' B4' B5' 34.48(13) . . . . ?
C1' B3' B4' B8' 135.40(15) . . . . ?
C1' B3' B4' B9' 97.86(15) . . . . ?
C1' B3' B7' B2' 36.56(13) . . . . ?
C1' B3' B7' C2' 36.56(13) . . . . ?
C1' B3' B7' B8' -99.16(15) . . . . ?
C1' B3' B7' B11' 1.77(19) . . . . ?
C1' B3' B7' B12' -61.82(17) . . . . ?
C1' B3' B8' B4' -38.43(13) . . . . ?
C1' B3' B8' B7' 99.38(15) . . . . ?
C1' B3' B8' B9' -1.2(2) . . . . ?
C1' B3' B8' B12' 62.28(18) . . . . ?
C1' B4' B5' B6' 35.23(13) . . . . ?
C1' B4' B5' C6' 35.23(13) . . . . ?
C1' B4' B5' B9' 134.96(16) . . . . ?
C1' B4' B5' B10' 97.21(15) . . . . ?
C1' B4' B8' B3' 38.79(13) . . . . ?
C1' B4' B8' B7' 1.07(19) . . . . ?
C1' B4' B8' B9' -99.42(15) . . . . ?
C1' B4' B8' B12' -62.11(17) . . . . ?
C1' B4' B9' B5' -39.23(13) . . . . ?
C1' B4' B9' B8' 99.34(15) . . . . ?
C1' B4' B9' B10' -1.52(19) . . . . ?
C1' B4' B9' B12' 62.11(18) . . . . ?
C1' B5' B6' C2' 35.42(13) . . . . ?
C1' B5' B6' B10' 137.04(15) . . . . ?
C1' B5' B6' B11' 99.54(16) . . . . ?
C1' B5' C6' B2' 35.42(13) . . . . ?
C1' B5' C6' B10' 137.04(15) . . . . ?
C1' B5' C6' B11' 99.54(16) . . . . ?
C1' B5' B9' B4' 38.89(13) . . . . ?
C1' B5' B9' B8' 1.8(2) . . . . ?
C1' B5' B9' B10' -99.03(15) . . . . ?
C1' B5' B9' B12' -61.59(18) . . . . ?
C1' B5' B10' B6' -36.98(13) . . . . ?
C1' B5' B10' C6' -36.98(13) . . . . ?
C1' B5' B10' B9' 99.28(15) . . . . ?
C1' B5' B10' B11' -1.03(19) . . . . ?
C1' B5' B10' B12' 62.04(18) . . . . ?
C1' B6' B10' B5' 38.57(14) . . . . ?
C1' B6' B10' B9' 0.1(2) . . . . ?
C1' B6' B10' B11' -101.19(16) . . . . ?
C1' B6' B10' B12' -62.78(19) . . . . ?
C1' B6' B11' C2' -35.90(13) . . . . ?
C1' B6' B11' B7' 0.23(19) . . . . ?
C1' B6' B11' B10' 101.65(16) . . . . ?
C1' B6' B11' B12' 62.97(18) . . . . ?
C1' C6' B10' B5' 38.57(14) . . . . ?
C1' C6' B10' B9' 0.1(2) . . . . ?
C1' C6' B10' B11' -101.19(16) . . . . ?
C1' C6' B10' B12' -62.78(19) . . . . ?
C1' C6' B11' B2' -35.90(13) . . . . ?
C1' C6' B11' B7' 0.23(19) . . . . ?
C1' C6' B11' B10' 101.65(16) . . . . ?
C1' C6' B11' B12' 62.97(18) . . . . ?
B2' C1' B3' B4' -138.70(14) . . . . ?
B2' C1' B3' B7' -36.78(13) . . . . ?
B2' C1' B3' B8' -99.55(15) . . . . ?
B2' C1' B4' B3' 38.05(13) . . . . ?
B2' C1' B4' B5' -103.35(15) . . . . ?
B2' C1' B4' B8' -0.91(18) . . . . ?
B2' C1' B4' B9' -63.90(17) . . . . ?
B2' C1' B5' B4' 102.96(15) . . . . ?
B2' C1' B5' C6' -36.51(14) . . . . ?
B2' C1' B5' B9' 63.44(18) . . . . ?
B2' C1' B5' B10' 0.73(18) . . . . ?
B2' C1' C6' B5' 140.43(15) . . . . ?
B2' C1' C6' B10' 101.35(16) . . . . ?
B2' C1' C6' B11' 36.09(14) . . . . ?
B2' B3' B4' C1' -35.76(13) . . . . ?
B2' B3' B4' B5' -1.28(18) . . . . ?
B2' B3' B4' B8' 99.64(16) . . . . ?
B2' B3' B4' B9' 62.10(17) . . . . ?
B2' B3' B7' B8' -135.72(15) . . . . ?
B2' B3' B7' B11' -34.79(14) . . . . ?
B2' B3' B7' B12' -98.38(16) . . . . ?
B2' B3' B8' B4' -99.34(15) . . . . ?
B2' B3' B8' B7' 38.46(13) . . . . ?
B2' B3' B8' B9' -62.14(18) . . . . ?
B2' B3' B8' B12' 1.36(19) . . . . ?
B2' C6' B10' B5' 101.67(16) . . . . ?
B2' C6' B10' B9' 63.24(19) . . . . ?
B2' C6' B10' B11' -38.09(14) . . . . ?
B2' C6' B10' B12' 0.3(2) . . . . ?
B2' C6' B11' B7' 36.13(14) . . . . ?
B2' C6' B11' B10' 137.54(16) . . . . ?
B2' C6' B11' B12' 98.87(16) . . . . ?
B2' B7' B8' B3' -38.71(14) . . . . ?
B2' B7' B8' B4' -0.85(19) . . . . ?
B2' B7' B8' B9' 62.18(18) . . . . ?
B2' B7' B8' B12' 99.67(16) . . . . ?
B2' B7' B11' C6' -36.14(14) . . . . ?
B2' B7' B11' B10' -98.05(16) . . . . ?
B2' B7' B11' B12' -135.69(16) . . . . ?
B2' B7' B12' B8' -99.57(16) . . . . ?
B2' B7' B12' B9' -62.05(19) . . . . ?
B2' B7' B12' B10' 1.1(2) . . . . ?
B2' B7' B12' B11' 38.65(14) . . . . ?
B2' B11' B12' B7' -38.44(14) . . . . ?
B2' B11' B12' B8' -1.1(2) . . . . ?
B2' B11' B12' B9' 62.40(18) . . . . ?
B2' B11' B12' B10' 99.59(16) . . . . ?
C2' C1' B3' B4' -138.70(14) . . . . ?
C2' C1' B3' B7' -36.78(13) . . . . ?
C2' C1' B3' B8' -99.55(15) . . . . ?
C2' C1' B4' B3' 38.05(13) . . . . ?
C2' C1' B4' B5' -103.35(15) . . . . ?
C2' C1' B4' B8' -0.91(18) . . . . ?
C2' C1' B4' B9' -63.90(17) . . . . ?
C2' C1' B5' B4' 102.96(15) . . . . ?
C2' C1' B5' B6' -36.51(14) . . . . ?
C2' C1' B5' B9' 63.44(18) . . . . ?
C2' C1' B5' B10' 0.73(18) . . . . ?
C2' C1' B6' B5' 140.43(15) . . . . ?
C2' C1' B6' B10' 101.35(16) . . . . ?
C2' C1' B6' B11' 36.09(14) . . . . ?
C2' B3' B4' C1' -35.76(13) . . . . ?
C2' B3' B4' B5' -1.28(18) . . . . ?
C2' B3' B4' B8' 99.64(16) . . . . ?
C2' B3' B4' B9' 62.10(17) . . . . ?
C2' B3' B7' B8' -135.72(15) . . . . ?
C2' B3' B7' B11' -34.79(14) . . . . ?
C2' B3' B7' B12' -98.38(16) . . . . ?
C2' B3' B8' B4' -99.34(15) . . . . ?
C2' B3' B8' B7' 38.46(13) . . . . ?
C2' B3' B8' B9' -62.14(18) . . . . ?
C2' B3' B8' B12' 1.36(19) . . . . ?
C2' B6' B10' B5' 101.67(16) . . . . ?
C2' B6' B10' B9' 63.24(19) . . . . ?
C2' B6' B10' B11' -38.09(14) . . . . ?
C2' B6' B10' B12' 0.3(2) . . . . ?
C2' B6' B11' B7' 36.13(14) . . . . ?
C2' B6' B11' B10' 137.54(16) . . . . ?
C2' B6' B11' B12' 98.87(16) . . . . ?
C2' B7' B8' B3' -38.71(14) . . . . ?
C2' B7' B8' B4' -0.85(19) . . . . ?
C2' B7' B8' B9' 62.18(18) . . . . ?
C2' B7' B8' B12' 99.67(16) . . . . ?
C2' B7' B11' B6' -36.14(14) . . . . ?
C2' B7' B11' B10' -98.05(16) . . . . ?
C2' B7' B11' B12' -135.69(16) . . . . ?
C2' B7' B12' B8' -99.57(16) . . . . ?
C2' B7' B12' B9' -62.05(19) . . . . ?
C2' B7' B12' B10' 1.1(2) . . . . ?
C2' B7' B12' B11' 38.65(14) . . . . ?
C2' B11' B12' B7' -38.44(14) . . . . ?
C2' B11' B12' B8' -1.1(2) . . . . ?
C2' B11' B12' B9' 62.40(18) . . . . ?
C2' B11' B12' B10' 99.59(16) . . . . ?
B3' C1' B2' C6' 142.10(15) . . . . ?
B3' C1' B2' B7' 39.01(13) . . . . ?
B3' C1' B2' B11' 105.14(16) . . . . ?
B3' C1' C2' B6' 142.10(15) . . . . ?
B3' C1' C2' B7' 39.01(13) . . . . ?
B3' C1' C2' B11' 105.14(16) . . . . ?
B3' C1' B4' B5' -141.40(15) . . . . ?
B3' C1' B4' B8' -38.96(13) . . . . ?
B3' C1' B4' B9' -101.95(15) . . . . ?
B3' C1' B5' B4' 36.79(14) . . . . ?
B3' C1' B5' B6' -102.67(16) . . . . ?
B3' C1' B5' C6' -102.67(16) . . . . ?
B3' C1' B5' B9' -2.7(2) . . . . ?
B3' C1' B5' B10' -65.43(18) . . . . ?
B3' C1' B6' C2' -35.17(14) . . . . ?
B3' C1' B6' B5' 105.26(15) . . . . ?
B3' C1' B6' B10' 66.17(18) . . . . ?
B3' C1' B6' B11' 0.92(19) . . . . ?
B3' C1' C6' B2' -35.17(14) . . . . ?
B3' C1' C6' B5' 105.26(15) . . . . ?
B3' C1' C6' B10' 66.17(18) . . . . ?
B3' C1' C6' B11' 0.92(19) . . . . ?
B3' B2' C6' C1' 34.88(13) . . . . ?
B3' B2' C6' B5' -0.84(19) . . . . ?
B3' B2' C6' B10' -66.01(19) . . . . ?
B3' B2' C6' B11' -104.83(16) . . . . ?
B3' B2' B7' B8' 38.87(14) . . . . ?
B3' B2' B7' B11' 140.89(16) . . . . ?
B3' B2' B7' B12' 101.83(16) . . . . ?
B3' B2' B11' C6' 101.85(16) . . . . ?
B3' B2' B11' B7' -36.87(15) . . . . ?
B3' B2' B11' B10' 64.94(18) . . . . ?
B3' B2' B11' B12' 2.0(2) . . . . ?
B3' C2' B6' C1' 34.88(13) . . . . ?
B3' C2' B6' B5' -0.84(19) . . . . ?
B3' C2' B6' B10' -66.01(19) . . . . ?
B3' C2' B6' B11' -104.83(16) . . . . ?
B3' C2' B7' B8' 38.87(14) . . . . ?
B3' C2' B7' B11' 140.89(16) . . . . ?
B3' C2' B7' B12' 101.83(16) . . . . ?
B3' C2' B11' B6' 101.85(16) . . . . ?
B3' C2' B11' B7' -36.87(15) . . . . ?
B3' C2' B11' B10' 64.94(18) . . . . ?
B3' C2' B11' B12' 2.0(2) . . . . ?
B3' B4' B5' C1' -34.43(13) . . . . ?
B3' B4' B5' B6' 0.80(19) . . . . ?
B3' B4' B5' C6' 0.80(19) . . . . ?
B3' B4' B5' B9' 100.53(16) . . . . ?
B3' B4' B5' B10' 62.78(17) . . . . ?
B3' B4' B8' B7' -37.72(14) . . . . ?
B3' B4' B8' B9' -138.21(16) . . . . ?
B3' B4' B8' B12' -100.90(16) . . . . ?
B3' B4' B9' B5' -101.37(16) . . . . ?
B3' B4' B9' B8' 37.19(14) . . . . ?
B3' B4' B9' B10' -63.67(18) . . . . ?
B3' B4' B9' B12' -0.04(19) . . . . ?
B3' B7' B8' B4' 37.87(14) . . . . ?
B3' B7' B8' B9' 100.90(16) . . . . ?
B3' B7' B8' B12' 138.38(15) . . . . ?
B3' B7' B11' B2' 34.88(14) . . . . ?
B3' B7' B11' C2' 34.88(14) . . . . ?
B3' B7' B11' B6' -1.3(2) . . . . ?
B3' B7' B11' C6' -1.3(2) . . . . ?
B3' B7' B11' B10' -63.16(18) . . . . ?
B3' B7' B11' B12' -100.81(16) . . . . ?
B3' B7' B12' B8' -37.13(14) . . . . ?
B3' B7' B12' B9' 0.4(2) . . . . ?
B3' B7' B12' B10' 63.53(19) . . . . ?
B3' B7' B12' B11' 101.08(16) . . . . ?
B3' B8' B9' B4' -37.50(14) . . . . ?
B3' B8' B9' B5' -0.4(2) . . . . ?
B3' B8' B9' B10' 63.33(19) . . . . ?
B3' B8' B9' B12' 100.75(16) . . . . ?
B3' B8' B12' B7' 37.20(14) . . . . ?
B3' B8' B12' B9' -100.85(16) . . . . ?
B3' B8' B12' B10' -63.68(19) . . . . ?
B3' B8' B12' B11' -0.2(2) . . . . ?
B4' C1' B2' B3' -38.61(13) . . . . ?
B4' C1' B2' C6' 103.49(15) . . . . ?
B4' C1' B2' B7' 0.40(18) . . . . ?
B4' C1' B2' B11' 66.53(17) . . . . ?
B4' C1' C2' B3' -38.61(13) . . . . ?
B4' C1' C2' B6' 103.49(15) . . . . ?
B4' C1' C2' B7' 0.40(18) . . . . ?
B4' C1' C2' B11' 66.53(17) . . . . ?
B4' C1' B3' B2' 138.70(14) . . . . ?
B4' C1' B3' C2' 138.70(14) . . . . ?
B4' C1' B3' B7' 101.91(15) . . . . ?
B4' C1' B3' B8' 39.15(14) . . . . ?
B4' C1' B5' B6' -139.46(15) . . . . ?
B4' C1' B5' C6' -139.46(15) . . . . ?
B4' C1' B5' B9' -39.51(14) . . . . ?
B4' C1' B5' B10' -102.22(16) . . . . ?
B4' C1' B6' C2' -102.49(15) . . . . ?
B4' C1' B6' B5' 37.94(14) . . . . ?
B4' C1' B6' B10' -1.14(19) . . . . ?
B4' C1' B6' B11' -66.40(18) . . . . ?
B4' C1' C6' B2' -102.49(15) . . . . ?
B4' C1' C6' B5' 37.94(14) . . . . ?
B4' C1' C6' B10' -1.14(19) . . . . ?
B4' C1' C6' B11' -66.40(18) . . . . ?
B4' B3' B7' B2' 97.97(15) . . . . ?
B4' B3' B7' C2' 97.97(15) . . . . ?
B4' B3' B7' B8' -37.75(14) . . . . ?
B4' B3' B7' B11' 63.18(18) . . . . ?
B4' B3' B7' B12' -0.41(19) . . . . ?
B4' B3' B8' B7' 137.80(15) . . . . ?
B4' B3' B8' B9' 37.20(15) . . . . ?
B4' B3' B8' B12' 100.70(16) . . . . ?
B4' B5' B6' C1' -35.41(13) . . . . ?
B4' B5' B6' C2' 0.00(19) . . . . ?
B4' B5' B6' B10' 101.62(16) . . . . ?
B4' B5' B6' B11' 64.13(18) . . . . ?
B4' B5' C6' C1' -35.41(13) . . . . ?
B4' B5' C6' B2' 0.00(19) . . . . ?
B4' B5' C6' B10' 101.62(16) . . . . ?
B4' B5' C6' B11' 64.13(18) . . . . ?
B4' B5' B9' B8' -37.08(15) . . . . ?
B4' B5' B9' B10' -137.92(15) . . . . ?
B4' B5' B9' B12' -100.48(15) . . . . ?
B4' B5' B10' B6' -98.58(15) . . . . ?
B4' B5' B10' C6' -98.58(15) . . . . ?
B4' B5' B10' B9' 37.68(14) . . . . ?
B4' B5' B10' B11' -62.63(18) . . . . ?
B4' B5' B10' B12' 0.44(19) . . . . ?
B4' B8' B9' B5' 37.14(15) . . . . ?
B4' B8' B9' B10' 100.83(16) . . . . ?
B4' B8' B9' B12' 138.25(15) . . . . ?
B4' B8' B12' B7' 100.93(16) . . . . ?
B4' B8' B12' B9' -37.12(14) . . . . ?
B4' B8' B12' B10' 0.1(2) . . . . ?
B4' B8' B12' B11' 63.56(19) . . . . ?
B4' B9' B10' B5' -37.65(14) . . . . ?
B4' B9' B10' B6' 0.9(2) . . . . ?
B4' B9' B10' C6' 0.9(2) . . . . ?
B4' B9' B10' B11' 63.55(19) . . . . ?
B4' B9' B10' B12' 100.68(16) . . . . ?
B4' B9' B12' B7' -0.2(2) . . . . ?
B4' B9' B12' B8' 37.27(14) . . . . ?
B4' B9' B12' B10' -100.99(16) . . . . ?
B4' B9' B12' B11' -63.64(18) . . . . ?
B5' C1' B2' B3' -105.28(15) . . . . ?
B5' C1' B2' C6' 36.81(14) . . . . ?
B5' C1' B2' B7' -66.27(17) . . . . ?
B5' C1' B2' B11' -0.14(19) . . . . ?
B5' C1' C2' B3' -105.28(15) . . . . ?
B5' C1' C2' B6' 36.81(14) . . . . ?
B5' C1' C2' B7' -66.27(17) . . . . ?
B5' C1' C2' B11' -0.14(19) . . . . ?
B5' C1' B3' B2' 102.05(15) . . . . ?
B5' C1' B3' C2' 102.05(15) . . . . ?
B5' C1' B3' B4' -36.65(14) . . . . ?
B5' C1' B3' B7' 65.26(18) . . . . ?
B5' C1' B3' B8' 2.5(2) . . . . ?
B5' C1' B4' B3' 141.40(15) . . . . ?
B5' C1' B4' B8' 102.44(15) . . . . ?
B5' C1' B4' B9' 39.45(14) . . . . ?
B5' C1' B6' C2' -140.43(15) . . . . ?
B5' C1' B6' B10' -39.09(14) . . . . ?
B5' C1' B6' B11' -104.34(16) . . . . ?
B5' C1' C6' B2' -140.43(15) . . . . ?
B5' C1' C6' B10' -39.09(14) . . . . ?
B5' C1' C6' B11' -104.34(16) . . . . ?
B5' B4' B8' B3' 101.12(15) . . . . ?
B5' B4' B8' B7' 63.39(18) . . . . ?
B5' B4' B8' B9' -37.09(14) . . . . ?
B5' B4' B8' B12' 0.22(19) . . . . ?
B5' B4' B9' B8' 138.56(16) . . . . ?
B5' B4' B9' B10' 37.70(14) . . . . ?
B5' B4' B9' B12' 101.34(16) . . . . ?
B5' B6' B10' B9' -38.43(14) . . . . ?
B5' B6' B10' B11' -139.76(16) . . . . ?
B5' B6' B10' B12' -101.35(17) . . . . ?
B5' B6' B11' C2' -100.15(16) . . . . ?
B5' B6' B11' B7' -64.01(19) . . . . ?
B5' B6' B11' B10' 37.40(15) . . . . ?
B5' B6' B11' B12' -1.3(2) . . . . ?
B5' C6' B10' B9' -38.43(14) . . . . ?
B5' C6' B10' B11' -139.76(16) . . . . ?
B5' C6' B10' B12' -101.35(17) . . . . ?
B5' C6' B11' B2' -100.15(16) . . . . ?
B5' C6' B11' B7' -64.01(19) . . . . ?
B5' C6' B11' B10' 37.40(15) . . . . ?
B5' C6' B11' B12' -1.3(2) . . . . ?
B5' B9' B10' B6' 38.52(14) . . . . ?
B5' B9' B10' C6' 38.52(14) . . . . ?
B5' B9' B10' B11' 101.20(15) . . . . ?
B5' B9' B10' B12' 138.33(15) . . . . ?
B5' B9' B12' B7' 63.34(18) . . . . ?
B5' B9' B12' B8' 100.82(16) . . . . ?
B5' B9' B12' B10' -37.44(13) . . . . ?
B5' B9' B12' B11' -0.09(19) . . . . ?
B5' B10' B11' B2' 1.0(2) . . . . ?
B5' B10' B11' C2' 1.0(2) . . . . ?
B5' B10' B11' B6' -36.00(15) . . . . ?
B5' B10' B11' C6' -36.00(15) . . . . ?
B5' B10' B11' B7' 62.83(19) . . . . ?
B5' B10' B11' B12' 100.31(17) . . . . ?
B5' B10' B12' B7' -63.70(19) . . . . ?
B5' B10' B12' B8' -0.3(2) . . . . ?
B5' B10' B12' B9' 37.02(14) . . . . ?
B5' B10' B12' B11' -101.22(16) . . . . ?
B6' C1' C2' B3' -142.10(15) . . . . ?
B6' C1' C2' B7' -103.09(16) . . . . ?
B6' C1' C2' B11' -36.96(14) . . . . ?
B6' C1' B3' C2' 35.11(14) . . . . ?
B6' C1' B3' B4' -103.58(15) . . . . ?
B6' C1' B3' B7' -1.67(18) . . . . ?
B6' C1' B3' B8' -64.44(18) . . . . ?
B6' C1' B4' B3' 103.60(15) . . . . ?
B6' C1' B4' B5' -37.80(14) . . . . ?
B6' C1' B4' B8' 64.64(17) . . . . ?
B6' C1' B4' B9' 1.66(19) . . . . ?
B6' C1' B5' B4' 139.46(15) . . . . ?
B6' C1' B5' B9' 99.95(16) . . . . ?
B6' C1' B5' B10' 37.24(14) . . . . ?
B6' C2' B3' C1' -34.53(13) . . . . ?
B6' C2' B3' B4' 1.30(19) . . . . ?
B6' C2' B3' B7' 103.13(16) . . . . ?
B6' C2' B3' B8' 64.04(18) . . . . ?
B6' C2' B7' B3' -102.74(16) . . . . ?
B6' C2' B7' B8' -63.87(19) . . . . ?
B6' C2' B7' B11' 38.15(15) . . . . ?
B6' C2' B7' B12' -0.9(2) . . . . ?
B6' C2' B11' B7' -138.72(16) . . . . ?
B6' C2' B11' B10' -36.91(14) . . . . ?
B6' C2' B11' B12' -99.82(17) . . . . ?
B6' B5' B9' B4' 99.81(15) . . . . ?
B6' B5' B9' B8' 62.73(19) . . . . ?
B6' B5' B9' B10' -38.11(14) . . . . ?
B6' B5' B9' B12' -0.67(19) . . . . ?
B6' B5' B10' B9' 136.25(16) . . . . ?
B6' B5' B10' B11' 35.95(14) . . . . ?
B6' B5' B10' B12' 99.01(17) . . . . ?
B6' B10' B11' C2' 36.96(14) . . . . ?
B6' B10' B11' B7' 98.83(16) . . . . ?
B6' B10' B11' B12' 136.31(16) . . . . ?
B6' B10' B12' B7' -0.9(2) . . . . ?
B6' B10' B12' B8' 62.5(2) . . . . ?
B6' B10' B12' B9' 99.83(16) . . . . ?
B6' B10' B12' B11' -38.41(15) . . . . ?
B6' B11' B12' B7' -100.03(16) . . . . ?
B6' B11' B12' B8' -62.67(19) . . . . ?
B6' B11' B12' B9' 0.81(19) . . . . ?
B6' B11' B12' B10' 38.01(14) . . . . ?
C6' C1' B2' B3' -142.10(15) . . . . ?
C6' C1' B2' B7' -103.09(16) . . . . ?
C6' C1' B2' B11' -36.96(14) . . . . ?
C6' C1' B3' B2' 35.11(14) . . . . ?
C6' C1' B3' B4' -103.58(15) . . . . ?
C6' C1' B3' B7' -1.67(18) . . . . ?
C6' C1' B3' B8' -64.44(18) . . . . ?
C6' C1' B4' B3' 103.60(15) . . . . ?
C6' C1' B4' B5' -37.80(14) . . . . ?
C6' C1' B4' B8' 64.64(17) . . . . ?
C6' C1' B4' B9' 1.66(19) . . . . ?
C6' C1' B5' B4' 139.46(15) . . . . ?
C6' C1' B5' B9' 99.95(16) . . . . ?
C6' C1' B5' B10' 37.24(14) . . . . ?
C6' B2' B3' C1' -34.53(13) . . . . ?
C6' B2' B3' B4' 1.30(19) . . . . ?
C6' B2' B3' B7' 103.13(16) . . . . ?
C6' B2' B3' B8' 64.04(18) . . . . ?
C6' B2' B7' B3' -102.74(16) . . . . ?
C6' B2' B7' B8' -63.87(19) . . . . ?
C6' B2' B7' B11' 38.15(15) . . . . ?
C6' B2' B7' B12' -0.9(2) . . . . ?
C6' B2' B11' B7' -138.72(16) . . . . ?
C6' B2' B11' B10' -36.91(14) . . . . ?
C6' B2' B11' B12' -99.82(17) . . . . ?
C6' B5' B9' B4' 99.81(15) . . . . ?
C6' B5' B9' B8' 62.73(19) . . . . ?
C6' B5' B9' B10' -38.11(14) . . . . ?
C6' B5' B9' B12' -0.67(19) . . . . ?
C6' B5' B10' B9' 136.25(16) . . . . ?
C6' B5' B10' B11' 35.95(14) . . . . ?
C6' B5' B10' B12' 99.01(17) . . . . ?
C6' B10' B11' B2' 36.96(14) . . . . ?
C6' B10' B11' B7' 98.83(16) . . . . ?
C6' B10' B11' B12' 136.31(16) . . . . ?
C6' B10' B12' B7' -0.9(2) . . . . ?
C6' B10' B12' B8' 62.5(2) . . . . ?
C6' B10' B12' B9' 99.83(16) . . . . ?
C6' B10' B12' B11' -38.41(15) . . . . ?
C6' B11' B12' B7' -100.03(16) . . . . ?
C6' B11' B12' B8' -62.67(19) . . . . ?
C6' B11' B12' B9' 0.81(19) . . . . ?
C6' B11' B12' B10' 38.01(14) . . . . ?
B7' B2' B3' C1' -137.65(14) . . . . ?
B7' B2' B3' B4' -101.82(15) . . . . ?
B7' B2' B3' B8' -39.09(14) . . . . ?
B7' B2' C6' C1' 101.26(16) . . . . ?
B7' B2' C6' B5' 65.55(19) . . . . ?
B7' B2' C6' B10' 0.4(2) . . . . ?
B7' B2' C6' B11' -38.45(15) . . . . ?
B7' B2' B11' C6' 138.72(16) . . . . ?
B7' B2' B11' B10' 101.81(16) . . . . ?
B7' B2' B11' B12' 38.90(14) . . . . ?
B7' C2' B3' C1' -137.65(14) . . . . ?
B7' C2' B3' B4' -101.82(15) . . . . ?
B7' C2' B3' B8' -39.09(14) . . . . ?
B7' C2' B6' C1' 101.26(16) . . . . ?
B7' C2' B6' B5' 65.55(19) . . . . ?
B7' C2' B6' B10' 0.4(2) . . . . ?
B7' C2' B6' B11' -38.45(15) . . . . ?
B7' C2' B11' B6' 138.72(16) . . . . ?
B7' C2' B11' B10' 101.81(16) . . . . ?
B7' C2' B11' B12' 38.90(14) . . . . ?
B7' B3' B4' C1' -97.58(15) . . . . ?
B7' B3' B4' B5' -63.10(18) . . . . ?
B7' B3' B4' B8' 37.82(14) . . . . ?
B7' B3' B4' B9' 0.28(19) . . . . ?
B7' B3' B8' B4' -137.80(15) . . . . ?
B7' B3' B8' B9' -100.60(17) . . . . ?
B7' B3' B8' B12' -37.10(14) . . . . ?
B7' B8' B9' B4' -100.90(16) . . . . ?
B7' B8' B9' B5' -63.77(19) . . . . ?
B7' B8' B9' B10' -0.1(2) . . . . ?
B7' B8' B9' B12' 37.35(14) . . . . ?
B7' B8' B12' B9' -138.05(15) . . . . ?
B7' B8' B12' B10' -100.88(16) . . . . ?
B7' B8' B12' B11' -37.37(15) . . . . ?
B7' B11' B12' B8' 37.36(15) . . . . ?
B7' B11' B12' B9' 100.84(16) . . . . ?
B7' B11' B12' B10' 138.04(16) . . . . ?
B8' B3' B4' C1' -135.40(15) . . . . ?
B8' B3' B4' B5' -100.92(16) . . . . ?
B8' B3' B4' B9' -37.55(14) . . . . ?
B8' B3' B7' B2' 135.72(15) . . . . ?
B8' B3' B7' C2' 135.72(15) . . . . ?
B8' B3' B7' B11' 100.93(16) . . . . ?
B8' B3' B7' B12' 37.34(14) . . . . ?
B8' B4' B5' C1' -97.62(15) . . . . ?
B8' B4' B5' B6' -62.39(17) . . . . ?
B8' B4' B5' C6' -62.39(17) . . . . ?
B8' B4' B5' B9' 37.34(14) . . . . ?
B8' B4' B5' B10' -0.41(19) . . . . ?
B8' B4' B9' B5' -138.56(16) . . . . ?
B8' B4' B9' B10' -100.86(17) . . . . ?
B8' B4' B9' B12' -37.23(14) . . . . ?
B8' B7' B11' B2' 98.16(16) . . . . ?
B8' B7' B11' C2' 98.16(16) . . . . ?
B8' B7' B11' B6' 62.02(18) . . . . ?
B8' B7' B11' C6' 62.02(18) . . . . ?
B8' B7' B11' B10' 0.1(2) . . . . ?
B8' B7' B11' B12' -37.53(15) . . . . ?
B8' B7' B12' B9' 37.52(14) . . . . ?
B8' B7' B12' B10' 100.66(17) . . . . ?
B8' B7' B12' B11' 138.21(16) . . . . ?
B8' B9' B10' B5' -101.05(16) . . . . ?
B8' B9' B10' B6' -62.53(19) . . . . ?
B8' B9' B10' C6' -62.53(19) . . . . ?
B8' B9' B10' B11' 0.1(2) . . . . ?
B8' B9' B10' B12' 37.27(14) . . . . ?
B8' B9' B12' B7' -37.48(14) . . . . ?
B8' B9' B12' B10' -138.26(15) . . . . ?
B8' B9' B12' B11' -100.91(16) . . . . ?
B9' B4' B5' C1' -134.96(16) . . . . ?
B9' B4' B5' B6' -99.73(16) . . . . ?
B9' B4' B5' C6' -99.73(16) . . . . ?
B9' B4' B5' B10' -37.74(14) . . . . ?
B9' B4' B8' B3' 138.21(16) . . . . ?
B9' B4' B8' B7' 100.48(16) . . . . ?
B9' B4' B8' B12' 37.31(14) . . . . ?
B9' B5' B6' C1' -98.32(15) . . . . ?
B9' B5' B6' C2' -62.90(18) . . . . ?
B9' B5' B6' B10' 38.72(14) . . . . ?
B9' B5' B6' B11' 1.2(2) . . . . ?
B9' B5' C6' C1' -98.32(15) . . . . ?
B9' B5' C6' B2' -62.90(18) . . . . ?
B9' B5' C6' B10' 38.72(14) . . . . ?
B9' B5' C6' B11' 1.2(2) . . . . ?
B9' B5' B10' B6' -136.25(16) . . . . ?
B9' B5' B10' C6' -136.25(16) . . . . ?
B9' B5' B10' B11' -100.31(16) . . . . ?
B9' B5' B10' B12' -37.24(14) . . . . ?
B9' B8' B12' B7' 138.05(15) . . . . ?
B9' B8' B12' B10' 37.17(15) . . . . ?
B9' B8' B12' B11' 100.68(16) . . . . ?
B9' B10' B11' B2' -62.03(18) . . . . ?
B9' B10' B11' C2' -62.03(18) . . . . ?
B9' B10' B11' B6' -98.99(16) . . . . ?
B9' B10' B11' C6' -98.99(16) . . . . ?
B9' B10' B11' B7' -0.2(2) . . . . ?
B9' B10' B11' B12' 37.32(14) . . . . ?
B9' B10' B12' B7' -100.71(16) . . . . ?
B9' B10' B12' B8' -37.32(14) . . . . ?
B9' B10' B12' B11' -138.23(15) . . . . ?
B10' B5' B6' C1' -137.04(15) . . . . ?
B10' B5' B6' C2' -101.62(16) . . . . ?
B10' B5' B6' B11' -37.50(15) . . . . ?
B10' B5' C6' C1' -137.04(15) . . . . ?
B10' B5' C6' B2' -101.62(16) . . . . ?
B10' B5' C6' B11' -37.50(15) . . . . ?
B10' B5' B9' B4' 137.92(15) . . . . ?
B10' B5' B9' B8' 100.84(17) . . . . ?
B10' B5' B9' B12' 37.44(14) . . . . ?
B10' B6' B11' C2' -137.54(16) . . . . ?
B10' B6' B11' B7' -101.41(17) . . . . ?
B10' B6' B11' B12' -38.67(15) . . . . ?
B10' C6' B11' B2' -137.54(16) . . . . ?
B10' C6' B11' B7' -101.41(17) . . . . ?
B10' C6' B11' B12' -38.67(15) . . . . ?
B10' B9' B12' B7' 100.78(16) . . . . ?
B10' B9' B12' B8' 138.26(15) . . . . ?
B10' B9' B12' B11' 37.35(14) . . . . ?
B10' B11' B12' B7' -138.04(16) . . . . ?
B10' B11' B12' B8' -100.68(17) . . . . ?
B10' B11' B12' B9' -37.19(14) . . . . ?
B11' B2' B3' C1' -100.71(15) . . . . ?
B11' B2' B3' B4' -64.88(18) . . . . ?
B11' B2' B3' B7' 36.94(15) . . . . ?
B11' B2' B3' B8' -2.15(19) . . . . ?
B11' B2' C6' C1' 139.71(15) . . . . ?
B11' B2' C6' B5' 104.00(16) . . . . ?
B11' B2' C6' B10' 38.82(15) . . . . ?
B11' B2' B7' B3' -140.89(16) . . . . ?
B11' B2' B7' B8' -102.01(16) . . . . ?
B11' B2' B7' B12' -39.06(15) . . . . ?
B11' C2' B3' C1' -100.71(15) . . . . ?
B11' C2' B3' B4' -64.88(18) . . . . ?
B11' C2' B3' B7' 36.94(15) . . . . ?
B11' C2' B3' B8' -2.15(19) . . . . ?
B11' C2' B6' C1' 139.71(15) . . . . ?
B11' C2' B6' B5' 104.00(16) . . . . ?
B11' C2' B6' B10' 38.82(15) . . . . ?
B11' C2' B7' B3' -140.89(16) . . . . ?
B11' C2' B7' B8' -102.01(16) . . . . ?
B11' C2' B7' B12' -39.06(15) . . . . ?
B11' B6' B10' B5' 139.76(16) . . . . ?
B11' B6' B10' B9' 101.33(16) . . . . ?
B11' B6' B10' B12' 38.42(15) . . . . ?
B11' C6' B10' B5' 139.76(16) . . . . ?
B11' C6' B10' B9' 101.33(16) . . . . ?
B11' C6' B10' B12' 38.42(15) . . . . ?
B11' B7' B8' B3' -100.93(16) . . . . ?
B11' B7' B8' B4' -63.06(18) . . . . ?
B11' B7' B8' B9' 0.0(2) . . . . ?
B11' B7' B8' B12' 37.46(14) . . . . ?
B11' B7' B12' B8' -138.21(16) . . . . ?
B11' B7' B12' B9' -100.70(16) . . . . ?
B11' B7' B12' B10' -37.55(15) . . . . ?
B11' B10' B12' B7' 37.52(15) . . . . ?
B11' B10' B12' B8' 100.92(16) . . . . ?
B11' B10' B12' B9' 138.23(15) . . . . ?
B12' B7' B8' B3' -138.38(15) . . . . ?
B12' B7' B8' B4' -100.51(16) . . . . ?
B12' B7' B8' B9' -37.48(14) . . . . ?
B12' B7' B11' B2' 135.69(16) . . . . ?
B12' B7' B11' C2' 135.69(16) . . . . ?
B12' B7' B11' B6' 99.55(17) . . . . ?
B12' B7' B11' C6' 99.55(17) . . . . ?
B12' B7' B11' B10' 37.64(15) . . . . ?
B12' B8' B9' B4' -138.25(15) . . . . ?
B12' B8' B9' B5' -101.12(17) . . . . ?
B12' B8' B9' B10' -37.42(14) . . . . ?
B12' B9' B10' B5' -138.33(15) . . . . ?
B12' B9' B10' B6' -99.80(16) . . . . ?
B12' B9' B10' C6' -99.80(16) . . . . ?
B12' B9' B10' B11' -37.13(14) . . . . ?
B12' B10' B11' B2' -99.35(16) . . . . ?
B12' B10' B11' C2' -99.35(16) . . . . ?
B12' B10' B11' B6' -136.31(16) . . . . ?
B12' B10' B11' C6' -136.31(16) . . . . ?
B12' B10' B11' B7' -37.48(14) . . . . ?

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

data_5112
_database_code_depnum_ccdc_archive 'CCDC 1492394'
# end Validation Reply Form

#Added by publCIF (Thu 23. Apr 17:53:31 2015)


_audit_update_record             
;
2016-07-19 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PUBL002_GLOBAL              
;
PROBLEM: The contact author's address is missing,
RESPONSE: ...
;
_vrf_PUBL005_GLOBAL              
;
PROBLEM: _publ_contact_author_email, _publ_contact_author_fax and
RESPONSE: ...
;
_vrf_PUBL006_GLOBAL              
;
PROBLEM: _publ_requested_journal is missing
RESPONSE: ...
;
_vrf_PUBL008_GLOBAL              
;
PROBLEM: _publ_section_title is missing. Title of paper.
RESPONSE: ...
;
_vrf_PUBL009_GLOBAL              
;
PROBLEM: _publ_author_name is missing. List of author(s) name(s).
RESPONSE: ...
;
_vrf_PUBL010_GLOBAL              
;
PROBLEM: _publ_author_address is missing. Author(s) address(es).
RESPONSE: ...
;
_vrf_PUBL012_GLOBAL              
;
PROBLEM: _publ_section_abstract is missing.
RESPONSE: ...
;
_vrf_PLAT601_I                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of .        212 Ang3  
RESPONSE: Attempts to model disordered CH2Cl2 solvent were unsuccessful so the intensity
contribution of the disordered solvent was removed using the BYPASS (van der Sluis & Spek, 1990) /
SQUEEZE (Spek 2003) procedure as implemented in OLEX2 (Dolomanov et al., 2009). The size of the void
was calculated to be 417.3 \%A3, containing approximately 122.9 electrons. This could correspond to a
fractional amount of solvent e.g. 3 CH2Cl2 per unit cell.
;
_publcif_datablock.id            {7bc12644-1137-4971-af4d-ffc4e7335faf}

# publcif _publ_body_element loop end
_audit_creation_date             2015-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H39 B19 Ni P2 0.75(C H2 Cl2)'
_chemical_formula_sum            'C10.75 H40.50 B19 Cl1.50 Ni P2'

_chemical_formula_weight         549.14
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.3294(7)
_cell_length_b                   29.295(2)
_cell_length_c                   10.5038(7)
_cell_angle_alpha                90
_cell_angle_beta                 116.545(3)
_cell_angle_gamma                90
_cell_volume                     2843.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8849
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.399
_cell_measurement_theta_min      2.276
_shelx_estimated_absorpt_T_max   0.896
_shelx_estimated_absorpt_T_min   0.694
_exptl_absorpt_coefficient_mu    0.940
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0658 before and 0.0570 after correction.
The Ratio of minimum to maximum transmission is 0.9128.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             1134
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            48075
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.764
_diffrn_reflns_theta_min         2.299
_diffrn_reflns_v_R_equivalents   ?
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5260
_reflns_number_total             6682
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         6682
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0348
_refine_ls_restrained_S_all      1.072
_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)+(0.0464P)²+0.0344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0847
_refine_ls_wR_factor_ref         0.0894
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{B2, C2}
{B4, C4}
3. Uiso/Uaniso restraints and constraints
Uanis(B2) = Uanis(C2)
Uanis(B4) = Uanis(C4)
4. Others
 Sof(C4)=Sof(B2)=1-FVAR(1)
 Sof(C2)=Sof(B4)=FVAR(1)
5.a Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.96177(19) 0.14916(6) 0.78659(18) 0.0147(4) Uani 1 1 d . . . . .
P1 P 0.69653(5) 0.19275(2) 0.94264(5) 0.01877(12) Uani 1 1 d . . . . .
C2 C 0.8275(2) 0.12178(7) 0.6632(2) 0.0192(5) Uani 0.51(2) 1 d . . P A 1
P2 P 0.57537(5) 0.10173(2) 0.74533(5) 0.01840(12) Uani 1 1 d . . . . .
Ni3 Ni 0.73215(2) 0.15692(2) 0.77580(2) 0.01435(8) Uani 1 1 d . . . . .
B4 B 0.8992(2) 0.20096(7) 0.7846(2) 0.0188(5) Uani 0.51(2) 1 d . . P A 1
B5 B 1.0312(2) 0.18964(7) 0.7196(2) 0.0176(4) Uani 1 1 d . . . . .
H5 H 1.141(2) 0.2003(6) 0.783(2) 0.021 Uiso 1 1 d R . . . .
B6 B 0.9807(2) 0.13643(7) 0.6363(2) 0.0169(4) Uani 1 1 d . . . . .
H6 H 1.060(2) 0.1103(6) 0.646(2) 0.020 Uiso 1 1 d R . . . .
B7 B 0.6755(2) 0.15778(7) 0.5575(2) 0.0170(4) Uani 1 1 d . . . . .
H7 H 0.565(2) 0.1433(6) 0.490(2) 0.020 Uiso 1 1 d R . . . .
B8 B 0.7264(2) 0.21170(7) 0.6402(2) 0.0172(4) Uani 1 1 d . . . . .
H8 H 0.656(2) 0.2418(6) 0.642(2) 0.021 Uiso 1 1 d R . . . .
B9 B 0.8864(2) 0.22869(7) 0.6298(2) 0.0189(4) Uani 1 1 d . . . . .
H9 H 0.916(2) 0.2662(7) 0.637(2) 0.023 Uiso 1 1 d R . . B 1
B10 B 0.9326(2) 0.18630(7) 0.5335(2) 0.0190(4) Uani 1 1 d . . . . .
H10 H 0.984(2) 0.1939(6) 0.468(2) 0.023 Uiso 1 1 d R . . . .
B11 B 0.8025(2) 0.14148(8) 0.4958(2) 0.0185(4) Uani 1 1 d . . . . .
H11 H 0.773(2) 0.1188(6) 0.405(2) 0.022 Uiso 1 1 d R . . . .
C11 C 0.5052(2) 0.20383(6) 0.8859(2) 0.0227(4) Uani 1 1 d . . . . .
H11A H 0.4628 0.2177 0.7909 0.034 Uiso 1 1 calc GR . . . .
H11B H 0.4943 0.2247 0.9533 0.034 Uiso 1 1 calc GR . . . .
H11C H 0.4555 0.1751 0.8828 0.034 Uiso 1 1 calc GR . . . .
B12 B 0.7487(2) 0.19977(7) 0.4844(2) 0.0185(4) Uani 1 1 d . . . . .
H12 H 0.685(2) 0.2161(6) 0.383(2) 0.022 Uiso 1 1 d R . . . .
C12 C 0.7536(2) 0.16870(7) 1.1203(2) 0.0273(5) Uani 1 1 d . . . . .
H12A H 0.7244 0.1366 1.1120 0.041 Uiso 1 1 calc GR . . . .
H12B H 0.7080 0.1857 1.1698 0.041 Uiso 1 1 calc GR . . . .
H12C H 0.8591 0.1709 1.1743 0.041 Uiso 1 1 calc GR . . . .
C13 C 0.7684(2) 0.25040(7) 0.9843(2) 0.0275(5) Uani 1 1 d . . . . .
H13A H 0.8744 0.2493 1.0311 0.041 Uiso 1 1 calc GR . . . .
H13B H 0.7344 0.2649 1.0480 0.041 Uiso 1 1 calc GR . . . .
H13C H 0.7352 0.2682 0.8962 0.041 Uiso 1 1 calc GR . . . .
C21 C 0.3891(2) 0.11861(7) 0.6290(2) 0.0240(4) Uani 1 1 d . . . . .
H21A H 0.3643 0.1457 0.6681 0.036 Uiso 1 1 calc GR . . . .
H21B H 0.3235 0.0936 0.6224 0.036 Uiso 1 1 calc GR . . . .
H21C H 0.3797 0.1256 0.5339 0.036 Uiso 1 1 calc GR . . . .
C22 C 0.5638(2) 0.07662(7) 0.8986(2) 0.0252(4) Uani 1 1 d . . . . .
H22A H 0.6589 0.0648 0.9652 0.038 Uiso 1 1 calc GR . . . .
H22B H 0.4933 0.0516 0.8669 0.038 Uiso 1 1 calc GR . . . .
H22C H 0.5331 0.1000 0.9462 0.038 Uiso 1 1 calc GR . . . .
C23 C 0.5918(2) 0.05005(6) 0.6580(2) 0.0272(5) Uani 1 1 d . . . . .
H23A H 0.5920 0.0580 0.5675 0.041 Uiso 1 1 calc GR . . . .
H23B H 0.5099 0.0298 0.6402 0.041 Uiso 1 1 calc GR . . . .
H23C H 0.6824 0.0345 0.7194 0.041 Uiso 1 1 calc GR . . . .
C1' C 1.06499(18) 0.12536(6) 0.92510(18) 0.0143(4) Uani 1 1 d . . . . .
C2' C 1.2126(2) 0.15293(6) 1.04001(19) 0.0164(4) Uani 1 1 d . . . . .
H2' H 1.222(2) 0.1817(7) 1.010(2) 0.020 Uiso 1 1 d R . . . .
B3' B 1.0733(2) 0.14586(7) 1.0835(2) 0.0177(4) Uani 1 1 d . . . . .
H3' H 1.011(2) 0.1755(7) 1.075(2) 0.021 Uiso 1 1 d R . . . .
B4' B 1.0047(2) 0.09064(7) 1.0184(2) 0.0184(4) Uani 1 1 d . . . . .
H4' H 0.890(2) 0.0847(6) 0.975(2) 0.022 Uiso 1 1 d R . . . .
B5' B 1.1039(2) 0.06824(7) 0.9302(2) 0.0184(4) Uani 1 1 d . . . . .
H5' H 1.058(2) 0.0475(7) 0.838(2) 0.022 Uiso 1 1 d R . . . .
B6' B 1.2358(2) 0.10973(7) 0.9435(2) 0.0174(4) Uani 1 1 d . . . . .
H6' H 1.261(2) 0.1188(6) 0.857(2) 0.021 Uiso 1 1 d R . . . .
B7' B 1.2571(2) 0.14027(8) 1.2119(2) 0.0201(4) Uani 1 1 d . . . . .
H7' H 1.302(2) 0.1680(7) 1.294(2) 0.024 Uiso 1 1 d R . . . .
B8' B 1.1259(2) 0.09883(8) 1.2015(2) 0.0206(5) Uani 1 1 d . . . . .
H8' H 1.087(2) 0.0974(6) 1.281(2) 0.025 Uiso 1 1 d R . . . .
B9' B 1.1455(2) 0.05064(8) 1.1074(2) 0.0214(5) Uani 1 1 d . . . . .
H9' H 1.120(2) 0.0161(7) 1.129(2) 0.026 Uiso 1 1 d R . . . .
B10' B 1.2885(2) 0.06255(7) 1.0596(2) 0.0214(5) Uani 1 1 d . . . . .
H10' H 1.349(2) 0.0351(7) 1.040(2) 0.026 Uiso 1 1 d R . . . .
B11' B 1.3567(2) 0.11792(8) 1.1257(2) 0.0203(5) Uani 1 1 d . . . . .
H11' H 1.459(2) 0.1307(7) 1.150(2) 0.024 Uiso 1 1 d R . . . .
B12' B 1.3016(2) 0.08100(8) 1.2266(2) 0.0227(5) Uani 1 1 d . . . . .
H12' H 1.383(2) 0.0669(7) 1.324(2) 0.027 Uiso 1 1 d R . . . .
C4 C 0.8992(2) 0.20096(7) 0.7846(2) 0.0188(5) Uani 0.49(2) 1 d . . P A 2
H4 H 0.944(2) 0.2187(6) 0.877(2) 0.023 Uiso 1 1 d R . . . .
B2 B 0.8275(2) 0.12178(7) 0.6632(2) 0.0192(5) Uani 0.49(2) 1 d . . P A 2
H2 H 0.826(2) 0.0875(7) 0.678(2) 0.023 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.625(3) . ?
C1 Ni3 2.3344(16) . ?
C1 B4 1.646(3) . ?
C1 B5 1.694(3) . ?
C1 B6 1.716(2) . ?
C1 C1' 1.534(2) . ?
C1 C4 1.646(3) . ?
C1 B2 1.625(3) . ?
P1 Ni3 2.2101(5) . ?
P1 C11 1.8199(18) . ?
P1 C12 1.828(2) . ?
P1 C13 1.818(2) . ?
C2 Ni3 2.1145(19) . ?
C2 B6 1.779(3) . ?
C2 B7 1.803(3) . ?
C2 B11 1.757(3) . ?
C2 H2 1.02(2) . ?
P2 Ni3 2.2080(5) . ?
P2 C21 1.8269(19) . ?
P2 C22 1.8220(19) . ?
P2 C23 1.8167(19) . ?
Ni3 B4 2.1238(19) . ?
Ni3 B7 2.098(2) . ?
Ni3 B8 2.129(2) . ?
Ni3 C4 2.1238(19) . ?
Ni3 B2 2.1145(19) . ?
B4 B5 1.808(3) . ?
B4 B8 1.780(3) . ?
B4 B9 1.768(3) . ?
B4 H4 1.02(2) . ?
B5 H5 1.068(19) . ?
B5 B6 1.749(3) . ?
B5 B9 1.782(3) . ?
B5 B10 1.757(3) . ?
B5 C4 1.808(3) . ?
B6 H6 1.095(19) . ?
B6 B10 1.751(3) . ?
B6 B11 1.778(3) . ?
B6 B2 1.779(3) . ?
B7 H7 1.120(19) . ?
B7 B8 1.765(3) . ?
B7 B11 1.769(3) . ?
B7 B12 1.787(3) . ?
B7 B2 1.803(3) . ?
B8 H8 1.149(19) . ?
B8 B9 1.775(3) . ?
B8 B12 1.786(3) . ?
B8 C4 1.780(3) . ?
B9 H9 1.135(19) . ?
B9 B10 1.796(3) . ?
B9 B12 1.770(3) . ?
B9 C4 1.768(3) . ?
B10 H10 1.068(19) . ?
B10 B11 1.793(3) . ?
B10 B12 1.776(3) . ?
B11 H11 1.091(19) . ?
B11 B12 1.783(3) . ?
B11 B2 1.757(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
B12 H12 1.081(19) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C1' C2' 1.670(2) . ?
C1' B3' 1.734(3) . ?
C1' B4' 1.711(3) . ?
C1' B5' 1.716(3) . ?
C1' B6' 1.748(3) . ?
C2' H2' 0.917(19) . ?
C2' B3' 1.705(3) . ?
C2' B6' 1.704(3) . ?
C2' B7' 1.694(3) . ?
C2' B11' 1.698(3) . ?
B3' H3' 1.064(19) . ?
B3' B4' 1.776(3) . ?
B3' B7' 1.778(3) . ?
B3' B8' 1.769(3) . ?
B4' H4' 1.080(19) . ?
B4' B5' 1.785(3) . ?
B4' B8' 1.781(3) . ?
B4' B9' 1.774(3) . ?
B5' H5' 1.057(19) . ?
B5' B6' 1.784(3) . ?
B5' B9' 1.789(3) . ?
B5' B10' 1.787(3) . ?
B6' H6' 1.079(18) . ?
B6' B10' 1.761(3) . ?
B6' B11' 1.773(3) . ?
B7' H7' 1.12(2) . ?
B7' B8' 1.786(3) . ?
B7' B11' 1.772(3) . ?
B7' B12' 1.785(3) . ?
B8' H8' 1.070(19) . ?
B8' B9' 1.786(3) . ?
B8' B12' 1.791(3) . ?
B9' H9' 1.094(19) . ?
B9' B10' 1.794(3) . ?
B9' B12' 1.776(3) . ?
B10' H10' 1.095(19) . ?
B10' B11' 1.781(3) . ?
B10' B12' 1.782(3) . ?
B11' H11' 1.042(19) . ?
B11' B12' 1.777(3) . ?
B12' H12' 1.08(2) . ?
C4 H4 1.02(2) . ?
B2 H2 1.02(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ni3 61.51(8) . . ?
C2 C1 B4 104.76(14) . . ?
C2 C1 B5 112.52(14) . . ?
C2 C1 B6 64.30(11) . . ?
B4 C1 Ni3 61.66(8) . . ?
B4 C1 B5 65.53(11) . . ?
B4 C1 B6 113.19(14) . . ?
B5 C1 Ni3 121.45(11) . . ?
B5 C1 B6 61.71(11) . . ?
B6 C1 Ni3 120.49(11) . . ?
C1' C1 C2 121.06(15) . . ?
C1' C1 Ni3 110.53(10) . . ?
C1' C1 B4 122.27(15) . . ?
C1' C1 B5 117.93(15) . . ?
C1' C1 B6 117.20(14) . . ?
C1' C1 C4 122.27(15) . . ?
C1' C1 B2 121.06(15) . . ?
C4 C1 Ni3 61.66(8) . . ?
C4 C1 B5 65.53(11) . . ?
C4 C1 B6 113.19(14) . . ?
B2 C1 Ni3 61.51(8) . . ?
B2 C1 B5 112.52(14) . . ?
B2 C1 B6 64.30(11) . . ?
B2 C1 C4 104.76(14) . . ?
C11 P1 Ni3 111.47(6) . . ?
C11 P1 C12 102.18(9) . . ?
C12 P1 Ni3 122.29(7) . . ?
C13 P1 Ni3 115.92(6) . . ?
C13 P1 C11 100.37(9) . . ?
C13 P1 C12 101.64(10) . . ?
C1 C2 Ni3 76.01(10) . . ?
C1 C2 B6 60.33(11) . . ?
C1 C2 B7 113.59(16) . . ?
C1 C2 B11 109.15(15) . . ?
C1 C2 H2 115.5(11) . . ?
Ni3 C2 H2 110.9(11) . . ?
B6 C2 Ni3 129.86(13) . . ?
B6 C2 B7 110.67(14) . . ?
B6 C2 H2 109.5(11) . . ?
B7 C2 Ni3 64.16(9) . . ?
B7 C2 H2 127.2(11) . . ?
B11 C2 Ni3 120.21(13) . . ?
B11 C2 B6 60.38(11) . . ?
B11 C2 B7 59.58(11) . . ?
B11 C2 H2 118.0(11) . . ?
C21 P2 Ni3 112.56(7) . . ?
C22 P2 Ni3 120.06(7) . . ?
C22 P2 C21 103.61(9) . . ?
C23 P2 Ni3 117.09(6) . . ?
C23 P2 C21 101.30(10) . . ?
C23 P2 C22 99.63(9) . . ?
P1 Ni3 C1 122.23(5) . . ?
C2 Ni3 C1 42.48(7) . . ?
C2 Ni3 P1 163.56(6) . . ?
C2 Ni3 P2 93.29(6) . . ?
C2 Ni3 B4 75.35(8) . . ?
C2 Ni3 B8 82.72(8) . . ?
P2 Ni3 C1 126.81(5) . . ?
P2 Ni3 P1 95.247(19) . . ?
B4 Ni3 C1 43.00(7) . . ?
B4 Ni3 P1 95.58(6) . . ?
B4 Ni3 P2 168.62(6) . . ?
B4 Ni3 B8 49.47(8) . . ?
B7 Ni3 C1 80.53(7) . . ?
B7 Ni3 P1 142.83(6) . . ?
B7 Ni3 C2 50.70(8) . . ?
B7 Ni3 P2 91.27(6) . . ?
B7 Ni3 B4 82.21(8) . . ?
B7 Ni3 B8 49.37(8) . . ?
B7 Ni3 C4 82.21(8) . . ?
B7 Ni3 B2 50.70(8) . . ?
B8 Ni3 C1 80.20(7) . . ?
B8 Ni3 P1 102.00(6) . . ?
B8 Ni3 P2 130.96(6) . . ?
C4 Ni3 C1 43.00(7) . . ?
C4 Ni3 P1 95.58(6) . . ?
C4 Ni3 P2 168.62(6) . . ?
C4 Ni3 B8 49.47(8) . . ?
B2 Ni3 C1 42.48(7) . . ?
B2 Ni3 P1 163.56(6) . . ?
B2 Ni3 P2 93.29(6) . . ?
B2 Ni3 B8 82.72(8) . . ?
B2 Ni3 C4 75.35(8) . . ?
C1 B4 Ni3 75.34(10) . . ?
C1 B4 B5 58.52(11) . . ?
C1 B4 B8 114.36(15) . . ?
C1 B4 B9 107.66(14) . . ?
C1 B4 H4 116.9(11) . . ?
Ni3 B4 H4 111.2(10) . . ?
B5 B4 Ni3 127.42(13) . . ?
B5 B4 H4 111.3(11) . . ?
B8 B4 Ni3 65.42(9) . . ?
B8 B4 B5 110.45(14) . . ?
B8 B4 H4 125.4(11) . . ?
B9 B4 Ni3 120.90(13) . . ?
B9 B4 B5 59.77(11) . . ?
B9 B4 B8 60.05(11) . . ?
B9 B4 H4 117.7(11) . . ?
C1 B5 B4 55.96(10) . . ?
C1 B5 H5 118.2(10) . . ?
C1 B5 B6 59.77(11) . . ?
C1 B5 B9 104.93(14) . . ?
C1 B5 B10 106.30(15) . . ?
C1 B5 C4 55.96(10) . . ?
B4 B5 H5 118.6(10) . . ?
B6 B5 B4 104.20(14) . . ?
B6 B5 H5 124.5(10) . . ?
B6 B5 B9 108.38(16) . . ?
B6 B5 B10 59.95(12) . . ?
B6 B5 C4 104.20(14) . . ?
B9 B5 B4 59.01(11) . . ?
B9 B5 H5 123.1(10) . . ?
B9 B5 C4 59.01(11) . . ?
B10 B5 B4 105.67(15) . . ?
B10 B5 H5 129.2(10) . . ?
B10 B5 B9 60.99(12) . . ?
B10 B5 C4 105.67(15) . . ?
C4 B5 H5 118.6(10) . . ?
C1 B6 C2 55.37(10) . . ?
C1 B6 B5 58.52(11) . . ?
C1 B6 H6 117.4(10) . . ?
C1 B6 B10 105.57(14) . . ?
C1 B6 B11 104.15(13) . . ?
C1 B6 B2 55.37(10) . . ?
C2 B6 H6 120.1(10) . . ?
B5 B6 C2 102.94(14) . . ?
B5 B6 H6 122.3(10) . . ?
B5 B6 B10 60.25(12) . . ?
B5 B6 B11 107.95(15) . . ?
B5 B6 B2 102.94(14) . . ?
B10 B6 C2 105.77(15) . . ?
B10 B6 H6 129.3(10) . . ?
B10 B6 B11 61.04(12) . . ?
B10 B6 B2 105.77(15) . . ?
B11 B6 C2 59.18(11) . . ?
B11 B6 H6 126.1(10) . . ?
B11 B6 B2 59.18(11) . . ?
B2 B6 H6 120.1(10) . . ?
C2 B7 Ni3 65.14(9) . . ?
C2 B7 H7 121.7(10) . . ?
Ni3 B7 H7 113.2(9) . . ?
B8 B7 C2 103.58(15) . . ?
B8 B7 Ni3 66.25(9) . . ?
B8 B7 H7 130.2(10) . . ?
B8 B7 B11 108.37(15) . . ?
B8 B7 B12 60.36(12) . . ?
B8 B7 B2 103.58(15) . . ?
B11 B7 C2 58.89(11) . . ?
B11 B7 Ni3 120.48(13) . . ?
B11 B7 H7 112.0(9) . . ?
B11 B7 B12 60.17(11) . . ?
B11 B7 B2 58.89(11) . . ?
B12 B7 C2 104.33(14) . . ?
B12 B7 Ni3 120.88(13) . . ?
B12 B7 H7 119.7(10) . . ?
B12 B7 B2 104.33(14) . . ?
B2 B7 Ni3 65.14(9) . . ?
B2 B7 H7 121.7(10) . . ?
Ni3 B8 H8 113.3(9) . . ?
B4 B8 Ni3 65.10(9) . . ?
B4 B8 H8 121.6(10) . . ?
B4 B8 B12 104.77(14) . . ?
B7 B8 Ni3 64.38(9) . . ?
B7 B8 B4 103.04(14) . . ?
B7 B8 H8 130.0(9) . . ?
B7 B8 B9 107.56(14) . . ?
B7 B8 B12 60.44(12) . . ?
B7 B8 C4 103.04(14) . . ?
B9 B8 Ni3 120.25(13) . . ?
B9 B8 B4 59.65(11) . . ?
B9 B8 H8 113.6(9) . . ?
B9 B8 B12 59.60(11) . . ?
B9 B8 C4 59.65(11) . . ?
B12 B8 Ni3 119.28(13) . . ?
B12 B8 H8 120.5(9) . . ?
C4 B8 Ni3 65.10(9) . . ?
C4 B8 H8 121.6(10) . . ?
C4 B8 B12 104.77(14) . . ?
B4 B9 B5 61.22(11) . . ?
B4 B9 B8 60.31(11) . . ?
B4 B9 H9 118.4(10) . . ?
B4 B9 B10 105.69(15) . . ?
B4 B9 B12 105.96(15) . . ?
B5 B9 H9 116.8(10) . . ?
B5 B9 B10 58.80(12) . . ?
B8 B9 B5 111.87(14) . . ?
B8 B9 H9 119.7(9) . . ?
B8 B9 B10 109.26(15) . . ?
B10 B9 H9 125.3(9) . . ?
B12 B9 B5 108.06(15) . . ?
B12 B9 B8 60.51(12) . . ?
B12 B9 H9 127.6(10) . . ?
B12 B9 B10 59.75(12) . . ?
C4 B9 B5 61.22(11) . . ?
C4 B9 B8 60.31(11) . . ?
C4 B9 B10 105.69(15) . . ?
C4 B9 B12 105.96(15) . . ?
B5 B10 B9 60.20(12) . . ?
B5 B10 H10 119.9(10) . . ?
B5 B10 B11 106.96(14) . . ?
B5 B10 B12 108.92(14) . . ?
B6 B10 B5 59.80(12) . . ?
B6 B10 B9 107.64(14) . . ?
B6 B10 H10 119.2(10) . . ?
B6 B10 B11 60.22(12) . . ?
B6 B10 B12 109.64(14) . . ?
B9 B10 H10 123.7(10) . . ?
B11 B10 B9 105.61(14) . . ?
B11 B10 H10 123.5(10) . . ?
B12 B10 B9 59.40(12) . . ?
B12 B10 H10 123.0(10) . . ?
B12 B10 B11 59.95(12) . . ?
C2 B11 B6 60.44(11) . . ?
C2 B11 B7 61.52(11) . . ?
C2 B11 B10 104.98(15) . . ?
C2 B11 H11 122.5(10) . . ?
C2 B11 B12 106.49(14) . . ?
B6 B11 B10 58.74(12) . . ?
B6 B11 H11 117.0(10) . . ?
B6 B11 B12 108.12(15) . . ?
B7 B11 B6 112.33(14) . . ?
B7 B11 B10 109.07(15) . . ?
B7 B11 H11 121.9(10) . . ?
B7 B11 B12 60.42(11) . . ?
B10 B11 H11 121.7(10) . . ?
B12 B11 B10 59.57(12) . . ?
B12 B11 H11 124.8(10) . . ?
B2 B11 B6 60.44(11) . . ?
B2 B11 B7 61.52(11) . . ?
B2 B11 B10 104.98(15) . . ?
B2 B11 H11 122.5(10) . . ?
B2 B11 B12 106.49(14) . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
B7 B12 H12 122.8(10) . . ?
B8 B12 B7 59.21(11) . . ?
B8 B12 H12 123.0(10) . . ?
B9 B12 B7 106.82(14) . . ?
B9 B12 B8 59.89(12) . . ?
B9 B12 B10 60.85(12) . . ?
B9 B12 B11 107.14(15) . . ?
B9 B12 H12 122.5(10) . . ?
B10 B12 B7 108.98(15) . . ?
B10 B12 B8 109.66(15) . . ?
B10 B12 B11 60.48(12) . . ?
B10 B12 H12 119.0(10) . . ?
B11 B12 B7 59.41(11) . . ?
B11 B12 B8 106.85(14) . . ?
B11 B12 H12 121.6(10) . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C13 H13A 109.5 . . ?
P1 C13 H13B 109.5 . . ?
P1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C21 H21A 109.5 . . ?
P2 C21 H21B 109.5 . . ?
P2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P2 C22 H22A 109.5 . . ?
P2 C22 H22B 109.5 . . ?
P2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P2 C23 H23A 109.5 . . ?
P2 C23 H23B 109.5 . . ?
P2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C1 C1' C2' 119.26(14) . . ?
C1 C1' B3' 117.90(14) . . ?
C1 C1' B4' 122.45(14) . . ?
C1 C1' B5' 121.78(15) . . ?
C1 C1' B6' 117.60(13) . . ?
C2' C1' B3' 60.07(11) . . ?
C2' C1' B4' 108.78(14) . . ?
C2' C1' B5' 108.87(14) . . ?
C2' C1' B6' 59.76(11) . . ?
B3' C1' B6' 111.69(14) . . ?
B4' C1' B3' 62.06(12) . . ?
B4' C1' B5' 62.80(11) . . ?
B4' C1' B6' 112.88(14) . . ?
B5' C1' B3' 113.41(14) . . ?
B5' C1' B6' 61.98(11) . . ?
C1' C2' H2' 113.4(12) . . ?
C1' C2' B3' 61.83(11) . . ?
C1' C2' B6' 62.39(11) . . ?
C1' C2' B7' 112.96(14) . . ?
C1' C2' B11' 113.10(14) . . ?
B3' C2' H2' 115.4(11) . . ?
B6' C2' H2' 114.6(12) . . ?
B6' C2' B3' 115.40(14) . . ?
B7' C2' H2' 122.9(12) . . ?
B7' C2' B3' 63.10(12) . . ?
B7' C2' B6' 115.37(15) . . ?
B7' C2' B11' 63.02(12) . . ?
B11' C2' H2' 122.4(12) . . ?
B11' C2' B3' 115.45(15) . . ?
B11' C2' B6' 62.85(12) . . ?
C1' B3' H3' 115.7(10) . . ?
C1' B3' B4' 58.33(11) . . ?
C1' B3' B7' 105.94(14) . . ?
C1' B3' B8' 105.69(15) . . ?
C2' B3' C1' 58.09(10) . . ?
C2' B3' H3' 115.6(10) . . ?
C2' B3' B4' 104.30(14) . . ?
C2' B3' B7' 58.14(11) . . ?
C2' B3' B8' 104.51(15) . . ?
B4' B3' H3' 126.0(10) . . ?
B4' B3' B7' 108.39(15) . . ?
B7' B3' H3' 122.9(11) . . ?
B8' B3' H3' 133.0(10) . . ?
B8' B3' B4' 60.32(12) . . ?
B8' B3' B7' 60.46(12) . . ?
C1' B4' B3' 59.61(11) . . ?
C1' B4' H4' 117.8(10) . . ?
C1' B4' B5' 58.73(11) . . ?
C1' B4' B8' 106.13(15) . . ?
C1' B4' B9' 105.77(14) . . ?
B3' B4' H4' 119.0(10) . . ?
B3' B4' B5' 108.14(14) . . ?
B3' B4' B8' 59.63(12) . . ?
B5' B4' H4' 119.9(10) . . ?
B8' B4' H4' 126.1(10) . . ?
B8' B4' B5' 108.66(15) . . ?
B9' B4' B3' 107.84(15) . . ?
B9' B4' H4' 127.2(10) . . ?
B9' B4' B5' 60.34(12) . . ?
B9' B4' B8' 60.30(12) . . ?
C1' B5' B4' 58.47(11) . . ?
C1' B5' H5' 122.0(10) . . ?
C1' B5' B6' 59.88(11) . . ?
C1' B5' B9' 104.92(14) . . ?
C1' B5' B10' 105.68(15) . . ?
B4' B5' H5' 124.0(10) . . ?
B4' B5' B9' 59.52(12) . . ?
B4' B5' B10' 107.72(15) . . ?
B6' B5' B4' 107.71(15) . . ?
B6' B5' H5' 118.5(10) . . ?
B6' B5' B9' 107.15(15) . . ?
B6' B5' B10' 59.09(12) . . ?
B9' B5' H5' 125.8(10) . . ?
B10' B5' H5' 122.0(10) . . ?
B10' B5' B9' 60.21(12) . . ?
C1' B6' B5' 58.14(11) . . ?
C1' B6' H6' 116.8(10) . . ?
C1' B6' B10' 105.46(14) . . ?
C1' B6' B11' 105.88(14) . . ?
C2' B6' C1' 57.86(10) . . ?
C2' B6' B5' 104.32(14) . . ?
C2' B6' H6' 117.8(10) . . ?
C2' B6' B10' 104.67(15) . . ?
C2' B6' B11' 58.40(12) . . ?
B5' B6' H6' 124.1(10) . . ?
B10' B6' B5' 60.54(12) . . ?
B10' B6' H6' 131.1(10) . . ?
B10' B6' B11' 60.54(12) . . ?
B11' B6' B5' 108.77(15) . . ?
B11' B6' H6' 123.8(10) . . ?
C2' B7' B3' 58.77(11) . . ?
C2' B7' H7' 118.7(10) . . ?
C2' B7' B8' 104.25(15) . . ?
C2' B7' B11' 58.60(12) . . ?
C2' B7' B12' 103.98(15) . . ?
B3' B7' H7' 116.9(10) . . ?
B3' B7' B8' 59.51(12) . . ?
B3' B7' B12' 107.53(16) . . ?
B8' B7' H7' 125.8(10) . . ?
B11' B7' B3' 108.24(15) . . ?
B11' B7' H7' 121.4(10) . . ?
B11' B7' B8' 108.37(16) . . ?
B11' B7' B12' 59.92(12) . . ?
B12' B7' H7' 129.5(10) . . ?
B12' B7' B8' 60.19(12) . . ?
B3' B8' B4' 60.05(12) . . ?
B3' B8' B7' 60.03(12) . . ?
B3' B8' H8' 118.0(10) . . ?
B3' B8' B9' 107.67(15) . . ?
B3' B8' B12' 107.71(15) . . ?
B4' B8' B7' 107.83(14) . . ?
B4' B8' H8' 120.5(11) . . ?
B4' B8' B9' 59.67(12) . . ?
B4' B8' B12' 107.28(15) . . ?
B7' B8' H8' 120.8(11) . . ?
B7' B8' B12' 59.89(12) . . ?
B9' B8' B7' 107.53(15) . . ?
B9' B8' H8' 125.0(10) . . ?
B9' B8' B12' 59.54(12) . . ?
B12' B8' H8' 125.3(11) . . ?
B4' B9' B5' 60.14(12) . . ?
B4' B9' B8' 60.04(12) . . ?
B4' B9' H9' 120.1(10) . . ?
B4' B9' B10' 107.91(15) . . ?
B4' B9' B12' 108.24(16) . . ?
B5' B9' H9' 120.8(10) . . ?
B5' B9' B10' 59.83(12) . . ?
B8' B9' B5' 108.29(15) . . ?
B8' B9' H9' 121.3(10) . . ?
B8' B9' B10' 108.19(15) . . ?
B10' B9' H9' 122.9(10) . . ?
B12' B9' B5' 108.02(15) . . ?
B12' B9' B8' 60.37(13) . . ?
B12' B9' H9' 123.1(10) . . ?
B12' B9' B10' 59.90(12) . . ?
B5' B10' B9' 59.96(12) . . ?
B5' B10' H10' 115.6(11) . . ?
B6' B10' B5' 60.37(12) . . ?
B6' B10' B9' 107.96(15) . . ?
B6' B10' H10' 118.1(10) . . ?
B6' B10' B11' 60.08(12) . . ?
B6' B10' B12' 107.91(15) . . ?
B9' B10' H10' 121.6(10) . . ?
B11' B10' B5' 108.27(15) . . ?
B11' B10' B9' 107.45(15) . . ?
B11' B10' H10' 125.6(10) . . ?
B11' B10' B12' 59.81(12) . . ?
B12' B10' B5' 107.84(15) . . ?
B12' B10' B9' 59.54(12) . . ?
B12' B10' H10' 127.7(11) . . ?
C2' B11' B6' 58.75(11) . . ?
C2' B11' B7' 58.38(12) . . ?
C2' B11' B10' 104.04(15) . . ?
C2' B11' H11' 117.8(11) . . ?
C2' B11' B12' 104.18(14) . . ?
B6' B11' B10' 59.38(12) . . ?
B6' B11' H11' 117.3(11) . . ?
B6' B11' B12' 107.59(15) . . ?
B7' B11' B6' 108.15(15) . . ?
B7' B11' B10' 108.47(15) . . ?
B7' B11' H11' 120.2(11) . . ?
B7' B11' B12' 60.40(12) . . ?
B10' B11' H11' 127.1(11) . . ?
B12' B11' B10' 60.11(12) . . ?
B12' B11' H11' 129.5(11) . . ?
B7' B12' B8' 59.92(12) . . ?
B7' B12' H12' 121.0(11) . . ?
B8' B12' H12' 123.9(10) . . ?
B9' B12' B7' 108.00(16) . . ?
B9' B12' B8' 60.10(12) . . ?
B9' B12' B10' 60.55(13) . . ?
B9' B12' B11' 108.46(16) . . ?
B9' B12' H12' 123.8(11) . . ?
B10' B12' B7' 107.86(15) . . ?
B10' B12' B8' 108.49(16) . . ?
B10' B12' H12' 120.5(10) . . ?
B11' B12' B7' 59.68(12) . . ?
B11' B12' B8' 107.97(15) . . ?
B11' B12' B10' 60.08(12) . . ?
B11' B12' H12' 118.8(11) . . ?
C1 C4 Ni3 75.34(10) . . ?
C1 C4 B5 58.52(11) . . ?
C1 C4 B8 114.36(15) . . ?
C1 C4 B9 107.66(14) . . ?
C1 C4 H4 116.9(11) . . ?
Ni3 C4 H4 111.2(10) . . ?
B5 C4 Ni3 127.42(13) . . ?
B5 C4 H4 111.3(11) . . ?
B8 C4 Ni3 65.42(9) . . ?
B8 C4 B5 110.45(14) . . ?
B8 C4 H4 125.4(11) . . ?
B9 C4 Ni3 120.90(13) . . ?
B9 C4 B5 59.77(11) . . ?
B9 C4 B8 60.05(11) . . ?
B9 C4 H4 117.7(11) . . ?
C1 B2 Ni3 76.01(10) . . ?
C1 B2 B6 60.33(11) . . ?
C1 B2 B7 113.59(16) . . ?
C1 B2 B11 109.15(15) . . ?
C1 B2 H2 115.5(11) . . ?
Ni3 B2 H2 110.9(11) . . ?
B6 B2 Ni3 129.86(13) . . ?
B6 B2 B7 110.67(14) . . ?
B6 B2 H2 109.5(11) . . ?
B7 B2 Ni3 64.16(9) . . ?
B7 B2 H2 127.2(11) . . ?
B11 B2 Ni3 120.21(13) . . ?
B11 B2 B6 60.38(11) . . ?
B11 B2 B7 59.58(11) . . ?
B11 B2 H2 118.0(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B6 B5 -35.93(13) . . . . ?
C1 C2 B6 B10 -98.27(15) . . . . ?
C1 C2 B6 B11 -139.30(16) . . . . ?
C1 C2 B7 Ni3 -59.70(12) . . . . ?
C1 C2 B7 B8 -4.34(18) . . . . ?
C1 C2 B7 B11 99.13(16) . . . . ?
C1 C2 B7 B12 58.05(17) . . . . ?
C1 C2 B11 B6 36.86(14) . . . . ?
C1 C2 B11 B7 -106.70(16) . . . . ?
C1 C2 B11 B10 -2.84(19) . . . . ?
C1 C2 B11 B12 -64.97(18) . . . . ?
C1 B4 B5 B6 37.08(13) . . . . ?
C1 B4 B5 B9 140.23(16) . . . . ?
C1 B4 B5 B10 99.34(15) . . . . ?
C1 B4 B8 Ni3 59.16(11) . . . . ?
C1 B4 B8 B7 5.80(17) . . . . ?
C1 B4 B8 B9 -97.09(15) . . . . ?
C1 B4 B8 B12 -56.64(17) . . . . ?
C1 B4 B9 B5 -34.93(14) . . . . ?
C1 B4 B9 B8 108.43(16) . . . . ?
C1 B4 B9 B10 4.89(19) . . . . ?
C1 B4 B9 B12 67.24(17) . . . . ?
C1 B5 B6 C2 34.48(13) . . . . ?
C1 B5 B6 B10 135.44(15) . . . . ?
C1 B5 B6 B11 95.92(14) . . . . ?
C1 B5 B6 B2 34.48(13) . . . . ?
C1 B5 B9 B4 33.27(13) . . . . ?
C1 B5 B9 B8 -0.7(2) . . . . ?
C1 B5 B9 B10 -100.62(15) . . . . ?
C1 B5 B9 B12 -65.40(16) . . . . ?
C1 B5 B9 C4 33.27(13) . . . . ?
C1 B5 B10 B6 -39.17(13) . . . . ?
C1 B5 B10 B9 98.32(15) . . . . ?
C1 B5 B10 B11 -0.28(18) . . . . ?
C1 B5 B10 B12 63.05(18) . . . . ?
C1 B5 C4 Ni3 -32.61(14) . . . . ?
C1 B5 C4 B8 -106.73(16) . . . . ?
C1 B5 C4 B9 -140.23(16) . . . . ?
C1 B6 B10 B5 38.41(13) . . . . ?
C1 B6 B10 B9 0.44(19) . . . . ?
C1 B6 B10 B11 -97.81(14) . . . . ?
C1 B6 B10 B12 -62.58(18) . . . . ?
C1 B6 B11 C2 -33.60(13) . . . . ?
C1 B6 B11 B7 0.76(19) . . . . ?
C1 B6 B11 B10 100.19(15) . . . . ?
C1 B6 B11 B12 65.47(16) . . . . ?
C1 B6 B11 B2 -33.60(13) . . . . ?
C1 B6 B2 Ni3 33.07(15) . . . . ?
C1 B6 B2 B7 106.11(16) . . . . ?
C1 B6 B2 B11 139.30(16) . . . . ?
C1 C1' C2' B3' 107.24(16) . . . . ?
C1 C1' C2' B6' -106.75(16) . . . . ?
C1 C1' C2' B7' 145.58(15) . . . . ?
C1 C1' C2' B11' -145.21(15) . . . . ?
C1 C1' B3' C2' -109.47(16) . . . . ?
C1 C1' B3' B4' 113.99(16) . . . . ?
C1 C1' B3' B7' -143.93(15) . . . . ?
C1 C1' B3' B8' 152.96(15) . . . . ?
C1 C1' B4' B3' -106.88(18) . . . . ?
C1 C1' B4' B5' 112.01(18) . . . . ?
C1 C1' B4' B8' -145.63(16) . . . . ?
C1 C1' B4' B9' 151.39(16) . . . . ?
C1 C1' B5' B4' -113.04(17) . . . . ?
C1 C1' B5' B6' 106.73(17) . . . . ?
C1 C1' B5' B9' -151.84(15) . . . . ?
C1 C1' B5' B10' 145.50(15) . . . . ?
C1 C1' B6' C2' 109.49(17) . . . . ?
C1 C1' B6' B5' -113.26(17) . . . . ?
C1 C1' B6' B10' -152.67(15) . . . . ?
C1 C1' B6' B11' 144.20(15) . . . . ?
C2 C1 B4 Ni3 45.37(10) . . . . ?
C2 C1 B4 B5 -108.37(15) . . . . ?
C2 C1 B4 B8 -8.45(17) . . . . ?
C2 C1 B4 B9 -72.92(16) . . . . ?
C2 C1 B5 B4 96.57(16) . . . . ?
C2 C1 B5 B6 -40.86(15) . . . . ?
C2 C1 B5 B9 61.99(18) . . . . ?
C2 C1 B5 B10 -1.59(19) . . . . ?
C2 C1 B6 B5 137.88(16) . . . . ?
C2 C1 B6 B10 98.66(16) . . . . ?
C2 C1 B6 B11 35.28(14) . . . . ?
C2 C1 C1' C2' 172.65(14) . . . . ?
C2 C1 C1' B3' -117.86(17) . . . . ?
C2 C1 C1' B4' -44.8(2) . . . . ?
C2 C1 C1' B5' 31.1(2) . . . . ?
C2 C1 C1' B6' 103.66(17) . . . . ?
C2 B6 B10 B5 96.11(14) . . . . ?
C2 B6 B10 B9 58.14(18) . . . . ?
C2 B6 B10 B11 -40.11(13) . . . . ?
C2 B6 B10 B12 -4.88(19) . . . . ?
C2 B6 B11 B7 34.36(15) . . . . ?
C2 B6 B11 B10 133.79(15) . . . . ?
C2 B6 B11 B12 99.08(15) . . . . ?
C2 B7 B8 Ni3 -54.63(10) . . . . ?
C2 B7 B8 B4 -0.81(16) . . . . ?
C2 B7 B8 B9 61.10(17) . . . . ?
C2 B7 B8 B12 98.95(14) . . . . ?
C2 B7 B11 B6 -33.95(14) . . . . ?
C2 B7 B11 B10 -97.11(16) . . . . ?
C2 B7 B11 B12 -132.78(16) . . . . ?
C2 B7 B12 B8 -97.67(15) . . . . ?
C2 B7 B12 B9 -59.87(17) . . . . ?
C2 B7 B12 B10 4.40(19) . . . . ?
C2 B7 B12 B11 40.44(13) . . . . ?
C2 B11 B12 B7 -42.29(14) . . . . ?
C2 B11 B12 B8 -5.46(19) . . . . ?
C2 B11 B12 B9 57.47(17) . . . . ?
C2 B11 B12 B10 97.98(16) . . . . ?
Ni3 C1 C2 B6 154.42(12) . . . . ?
Ni3 C1 C2 B7 53.21(11) . . . . ?
Ni3 C1 C2 B11 117.54(14) . . . . ?
Ni3 C1 B4 B5 -153.74(12) . . . . ?
Ni3 C1 B4 B8 -53.81(11) . . . . ?
Ni3 C1 B4 B9 -118.28(14) . . . . ?
Ni3 C1 B5 B4 27.16(12) . . . . ?
Ni3 C1 B5 B6 -110.26(14) . . . . ?
Ni3 C1 B5 B9 -7.42(18) . . . . ?
Ni3 C1 B5 B10 -71.00(16) . . . . ?
Ni3 C1 B5 C4 27.16(12) . . . . ?
Ni3 C1 B6 C2 -26.13(12) . . . . ?
Ni3 C1 B6 B5 111.76(14) . . . . ?
Ni3 C1 B6 B10 72.53(16) . . . . ?
Ni3 C1 B6 B11 9.15(18) . . . . ?
Ni3 C1 B6 B2 -26.13(12) . . . . ?
Ni3 C1 C1' C2' -119.00(13) . . . . ?
Ni3 C1 C1' B3' -49.52(17) . . . . ?
Ni3 C1 C1' B4' 23.53(19) . . . . ?
Ni3 C1 C1' B5' 99.44(14) . . . . ?
Ni3 C1 C1' B6' 172.01(11) . . . . ?
Ni3 C1 C4 B5 -153.74(12) . . . . ?
Ni3 C1 C4 B8 -53.81(11) . . . . ?
Ni3 C1 C4 B9 -118.28(14) . . . . ?
Ni3 C1 B2 B6 154.42(12) . . . . ?
Ni3 C1 B2 B7 53.21(11) . . . . ?
Ni3 C1 B2 B11 117.54(14) . . . . ?
Ni3 C2 B6 C1 33.07(15) . . . . ?
Ni3 C2 B6 B5 -2.9(2) . . . . ?
Ni3 C2 B6 B10 -65.20(19) . . . . ?
Ni3 C2 B6 B11 -106.22(18) . . . . ?
Ni3 C2 B7 B8 55.35(10) . . . . ?
Ni3 C2 B7 B11 158.83(13) . . . . ?
Ni3 C2 B7 B12 117.74(13) . . . . ?
Ni3 C2 B11 B6 121.47(16) . . . . ?
Ni3 C2 B11 B7 -22.10(14) . . . . ?
Ni3 C2 B11 B10 81.76(16) . . . . ?
Ni3 C2 B11 B12 19.6(2) . . . . ?
Ni3 B4 B5 C1 -32.61(14) . . . . ?
Ni3 B4 B5 B6 4.5(2) . . . . ?
Ni3 B4 B5 B9 107.61(17) . . . . ?
Ni3 B4 B5 B10 66.73(18) . . . . ?
Ni3 B4 B8 B7 -53.36(10) . . . . ?
Ni3 B4 B8 B9 -156.26(13) . . . . ?
Ni3 B4 B8 B12 -115.80(13) . . . . ?
Ni3 B4 B9 B5 -118.10(16) . . . . ?
Ni3 B4 B9 B8 25.26(13) . . . . ?
Ni3 B4 B9 B10 -78.28(17) . . . . ?
Ni3 B4 B9 B12 -15.93(19) . . . . ?
Ni3 B7 B8 B4 53.82(10) . . . . ?
Ni3 B7 B8 B9 115.74(14) . . . . ?
Ni3 B7 B8 B12 153.58(13) . . . . ?
Ni3 B7 B8 C4 53.82(10) . . . . ?
Ni3 B7 B11 C2 22.35(14) . . . . ?
Ni3 B7 B11 B6 -11.6(2) . . . . ?
Ni3 B7 B11 B10 -74.76(17) . . . . ?
Ni3 B7 B11 B12 -110.43(16) . . . . ?
Ni3 B7 B11 B2 22.35(14) . . . . ?
Ni3 B7 B12 B8 -28.33(13) . . . . ?
Ni3 B7 B12 B9 9.47(19) . . . . ?
Ni3 B7 B12 B10 73.74(17) . . . . ?
Ni3 B7 B12 B11 109.77(16) . . . . ?
Ni3 B7 B2 C1 -59.70(12) . . . . ?
Ni3 B7 B2 B6 -125.33(14) . . . . ?
Ni3 B7 B2 B11 -158.83(13) . . . . ?
Ni3 B8 B9 B4 -25.01(13) . . . . ?
Ni3 B8 B9 B5 9.3(2) . . . . ?
Ni3 B8 B9 B10 72.49(18) . . . . ?
Ni3 B8 B9 B12 108.32(15) . . . . ?
Ni3 B8 B9 C4 -25.01(13) . . . . ?
Ni3 B8 B12 B7 27.38(13) . . . . ?
Ni3 B8 B12 B9 -109.92(16) . . . . ?
Ni3 B8 B12 B10 -73.52(18) . . . . ?
Ni3 B8 B12 B11 -9.5(2) . . . . ?
Ni3 B8 C4 C1 59.16(11) . . . . ?
Ni3 B8 C4 B5 122.87(14) . . . . ?
Ni3 B8 C4 B9 156.26(13) . . . . ?
B4 C1 C2 Ni3 -45.45(10) . . . . ?
B4 C1 C2 B6 108.97(14) . . . . ?
B4 C1 C2 B7 7.76(17) . . . . ?
B4 C1 C2 B11 72.09(16) . . . . ?
B4 C1 B5 B6 -137.42(15) . . . . ?
B4 C1 B5 B9 -34.58(14) . . . . ?
B4 C1 B5 B10 -98.16(15) . . . . ?
B4 C1 B6 C2 -95.82(16) . . . . ?
B4 C1 B6 B5 42.06(15) . . . . ?
B4 C1 B6 B10 2.84(19) . . . . ?
B4 C1 B6 B11 -60.54(18) . . . . ?
B4 C1 C1' C2' -50.3(2) . . . . ?
B4 C1 C1' B3' 19.2(2) . . . . ?
B4 C1 C1' B4' 92.2(2) . . . . ?
B4 C1 C1' B5' 168.16(15) . . . . ?
B4 C1 C1' B6' -119.28(17) . . . . ?
B4 B5 B6 C1 -35.33(12) . . . . ?
B4 B5 B6 C2 -0.85(18) . . . . ?
B4 B5 B6 B10 100.11(15) . . . . ?
B4 B5 B6 B11 60.59(16) . . . . ?
B4 B5 B9 B8 -33.96(14) . . . . ?
B4 B5 B9 B10 -133.89(15) . . . . ?
B4 B5 B9 B12 -98.68(15) . . . . ?
B4 B5 B10 B6 -97.59(15) . . . . ?
B4 B5 B10 B9 39.91(13) . . . . ?
B4 B5 B10 B11 -58.70(17) . . . . ?
B4 B5 B10 B12 4.63(19) . . . . ?
B4 B8 B9 B5 34.31(14) . . . . ?
B4 B8 B9 B10 97.50(16) . . . . ?
B4 B8 B9 B12 133.33(15) . . . . ?
B4 B8 B12 B7 96.82(15) . . . . ?
B4 B8 B12 B9 -40.48(14) . . . . ?
B4 B8 B12 B10 -4.09(19) . . . . ?
B4 B8 B12 B11 59.91(18) . . . . ?
B4 B9 B10 B5 -41.00(13) . . . . ?
B4 B9 B10 B6 -3.21(19) . . . . ?
B4 B9 B10 B11 59.90(18) . . . . ?
B4 B9 B10 B12 99.60(15) . . . . ?
B4 B9 B12 B7 3.60(18) . . . . ?
B4 B9 B12 B8 41.09(13) . . . . ?
B4 B9 B12 B10 -99.14(15) . . . . ?
B4 B9 B12 B11 -58.81(17) . . . . ?
B5 C1 C2 Ni3 -114.69(12) . . . . ?
B5 C1 C2 B6 39.74(14) . . . . ?
B5 C1 C2 B7 -61.48(18) . . . . ?
B5 C1 C2 B11 2.9(2) . . . . ?
B5 C1 B4 Ni3 153.74(12) . . . . ?
B5 C1 B4 B8 99.93(15) . . . . ?
B5 C1 B4 B9 35.46(14) . . . . ?
B5 C1 B6 C2 -137.88(16) . . . . ?
B5 C1 B6 B10 -39.23(14) . . . . ?
B5 C1 B6 B11 -102.60(16) . . . . ?
B5 C1 B6 B2 -137.88(16) . . . . ?
B5 C1 C1' C2' 27.0(2) . . . . ?
B5 C1 C1' B3' 96.50(17) . . . . ?
B5 C1 C1' B4' 169.55(15) . . . . ?
B5 C1 C1' B5' -114.54(17) . . . . ?
B5 C1 C1' B6' -42.0(2) . . . . ?
B5 C1 C4 Ni3 153.74(12) . . . . ?
B5 C1 C4 B8 99.93(15) . . . . ?
B5 C1 C4 B9 35.46(14) . . . . ?
B5 C1 B2 Ni3 -114.69(12) . . . . ?
B5 C1 B2 B6 39.74(14) . . . . ?
B5 C1 B2 B7 -61.48(18) . . . . ?
B5 C1 B2 B11 2.9(2) . . . . ?
B5 B4 B8 Ni3 122.87(14) . . . . ?
B5 B4 B8 B7 69.50(16) . . . . ?
B5 B4 B8 B9 -33.39(14) . . . . ?
B5 B4 B8 B12 7.07(19) . . . . ?
B5 B4 B9 B8 143.36(16) . . . . ?
B5 B4 B9 B10 39.81(14) . . . . ?
B5 B4 B9 B12 102.17(16) . . . . ?
B5 B6 B10 B9 -37.97(14) . . . . ?
B5 B6 B10 B11 -136.22(14) . . . . ?
B5 B6 B10 B12 -100.99(16) . . . . ?
B5 B6 B11 C2 -94.63(15) . . . . ?
B5 B6 B11 B7 -60.27(18) . . . . ?
B5 B6 B11 B10 39.15(13) . . . . ?
B5 B6 B11 B12 4.44(17) . . . . ?
B5 B6 B11 B2 -94.63(15) . . . . ?
B5 B6 B2 C1 -35.93(13) . . . . ?
B5 B6 B2 Ni3 -2.9(2) . . . . ?
B5 B6 B2 B7 70.17(17) . . . . ?
B5 B6 B2 B11 103.36(16) . . . . ?
B5 B9 B10 B6 37.79(14) . . . . ?
B5 B9 B10 B11 100.90(15) . . . . ?
B5 B9 B10 B12 140.60(15) . . . . ?
B5 B9 B12 B7 67.92(16) . . . . ?
B5 B9 B12 B8 105.40(15) . . . . ?
B5 B9 B12 B10 -34.83(13) . . . . ?
B5 B9 B12 B11 5.51(17) . . . . ?
B5 B9 C4 C1 -34.93(14) . . . . ?
B5 B9 C4 Ni3 -118.10(16) . . . . ?
B5 B9 C4 B8 -143.36(16) . . . . ?
B5 B10 B11 C2 1.85(18) . . . . ?
B5 B10 B11 B6 -38.70(13) . . . . ?
B5 B10 B11 B7 66.40(18) . . . . ?
B5 B10 B11 B12 102.42(15) . . . . ?
B5 B10 B11 B2 1.85(18) . . . . ?
B5 B10 B12 B7 -63.51(19) . . . . ?
B5 B10 B12 B8 -0.4(2) . . . . ?
B5 B10 B12 B9 35.61(14) . . . . ?
B5 B10 B12 B11 -99.09(16) . . . . ?
B6 C1 C2 Ni3 -154.42(12) . . . . ?
B6 C1 C2 B7 -101.21(15) . . . . ?
B6 C1 C2 B11 -36.88(14) . . . . ?
B6 C1 B4 Ni3 113.34(13) . . . . ?
B6 C1 B4 B5 -40.40(14) . . . . ?
B6 C1 B4 B8 59.53(18) . . . . ?
B6 C1 B4 B9 -4.9(2) . . . . ?
B6 C1 B5 B4 137.42(15) . . . . ?
B6 C1 B5 B9 102.84(16) . . . . ?
B6 C1 B5 B10 39.26(14) . . . . ?
B6 C1 B5 C4 137.42(15) . . . . ?
B6 C1 C1' C2' 97.71(18) . . . . ?
B6 C1 C1' B3' 167.19(14) . . . . ?
B6 C1 C1' B4' -119.76(17) . . . . ?
B6 C1 C1' B5' -43.8(2) . . . . ?
B6 C1 C1' B6' 28.7(2) . . . . ?
B6 C1 C4 Ni3 113.34(13) . . . . ?
B6 C1 C4 B5 -40.40(14) . . . . ?
B6 C1 C4 B8 59.53(18) . . . . ?
B6 C1 C4 B9 -4.9(2) . . . . ?
B6 C1 B2 Ni3 -154.42(12) . . . . ?
B6 C1 B2 B7 -101.21(15) . . . . ?
B6 C1 B2 B11 -36.88(14) . . . . ?
B6 C2 B7 Ni3 -125.33(14) . . . . ?
B6 C2 B7 B8 -69.98(17) . . . . ?
B6 C2 B7 B11 33.49(14) . . . . ?
B6 C2 B7 B12 -7.59(19) . . . . ?
B6 C2 B11 B7 -143.56(16) . . . . ?
B6 C2 B11 B10 -39.71(13) . . . . ?
B6 C2 B11 B12 -101.83(16) . . . . ?
B6 B5 B9 B4 95.85(15) . . . . ?
B6 B5 B9 B8 61.89(18) . . . . ?
B6 B5 B9 B10 -38.04(13) . . . . ?
B6 B5 B9 B12 -2.83(18) . . . . ?
B6 B5 B9 C4 95.85(15) . . . . ?
B6 B5 B10 B9 137.50(15) . . . . ?
B6 B5 B10 B11 38.89(13) . . . . ?
B6 B5 B10 B12 102.22(16) . . . . ?
B6 B5 C4 C1 37.08(13) . . . . ?
B6 B5 C4 Ni3 4.5(2) . . . . ?
B6 B5 C4 B8 -69.65(18) . . . . ?
B6 B5 C4 B9 -103.14(16) . . . . ?
B6 B10 B11 C2 40.54(13) . . . . ?
B6 B10 B11 B7 105.09(16) . . . . ?
B6 B10 B11 B12 141.12(15) . . . . ?
B6 B10 B11 B2 40.54(13) . . . . ?
B6 B10 B12 B7 0.2(2) . . . . ?
B6 B10 B12 B8 63.37(19) . . . . ?
B6 B10 B12 B9 99.36(16) . . . . ?
B6 B10 B12 B11 -35.34(14) . . . . ?
B6 B11 B12 B7 -105.90(15) . . . . ?
B6 B11 B12 B8 -69.07(17) . . . . ?
B6 B11 B12 B9 -6.14(17) . . . . ?
B6 B11 B12 B10 34.37(13) . . . . ?
B6 B11 B2 C1 36.86(14) . . . . ?
B6 B11 B2 Ni3 121.47(16) . . . . ?
B6 B11 B2 B7 143.56(16) . . . . ?
B7 C2 B6 C1 106.11(16) . . . . ?
B7 C2 B6 B5 70.17(17) . . . . ?
B7 C2 B6 B10 7.83(19) . . . . ?
B7 C2 B6 B11 -33.19(14) . . . . ?
B7 C2 B11 B6 143.56(16) . . . . ?
B7 C2 B11 B10 103.86(15) . . . . ?
B7 C2 B11 B12 41.74(14) . . . . ?
B7 B8 B9 B4 -95.11(15) . . . . ?
B7 B8 B9 B5 -60.80(19) . . . . ?
B7 B8 B9 B10 2.4(2) . . . . ?
B7 B8 B9 B12 38.22(14) . . . . ?
B7 B8 B9 C4 -95.11(15) . . . . ?
B7 B8 B12 B9 -137.30(15) . . . . ?
B7 B8 B12 B10 -100.91(16) . . . . ?
B7 B8 B12 B11 -36.92(14) . . . . ?
B7 B8 C4 C1 5.80(17) . . . . ?
B7 B8 C4 Ni3 -53.36(10) . . . . ?
B7 B8 C4 B5 69.50(16) . . . . ?
B7 B8 C4 B9 102.90(15) . . . . ?
B7 B11 B12 B8 36.83(14) . . . . ?
B7 B11 B12 B9 99.76(15) . . . . ?
B7 B11 B12 B10 140.27(16) . . . . ?
B7 B11 B2 C1 -106.70(16) . . . . ?
B7 B11 B2 Ni3 -22.10(14) . . . . ?
B7 B11 B2 B6 -143.56(16) . . . . ?
B8 B4 B5 C1 -106.73(16) . . . . ?
B8 B4 B5 B6 -69.65(18) . . . . ?
B8 B4 B5 B9 33.50(14) . . . . ?
B8 B4 B5 B10 -7.39(19) . . . . ?
B8 B4 B9 B5 -143.36(16) . . . . ?
B8 B4 B9 B10 -103.54(16) . . . . ?
B8 B4 B9 B12 -41.19(13) . . . . ?
B8 B7 B11 C2 95.08(16) . . . . ?
B8 B7 B11 B6 61.12(19) . . . . ?
B8 B7 B11 B10 -2.0(2) . . . . ?
B8 B7 B11 B12 -37.70(14) . . . . ?
B8 B7 B11 B2 95.08(16) . . . . ?
B8 B7 B12 B9 37.80(14) . . . . ?
B8 B7 B12 B10 102.07(16) . . . . ?
B8 B7 B12 B11 138.10(16) . . . . ?
B8 B7 B2 C1 -4.34(18) . . . . ?
B8 B7 B2 Ni3 55.35(10) . . . . ?
B8 B7 B2 B6 -69.98(17) . . . . ?
B8 B7 B2 B11 -103.47(15) . . . . ?
B8 B9 B10 B5 -104.46(16) . . . . ?
B8 B9 B10 B6 -66.67(19) . . . . ?
B8 B9 B10 B11 -3.56(19) . . . . ?
B8 B9 B10 B12 36.15(14) . . . . ?
B8 B9 B12 B7 -37.49(13) . . . . ?
B8 B9 B12 B10 -140.23(15) . . . . ?
B8 B9 B12 B11 -99.90(15) . . . . ?
B8 B9 C4 C1 108.43(16) . . . . ?
B8 B9 C4 Ni3 25.26(13) . . . . ?
B8 B9 C4 B5 143.36(16) . . . . ?
B9 B4 B5 C1 -140.23(16) . . . . ?
B9 B4 B5 B6 -103.14(16) . . . . ?
B9 B4 B5 B10 -40.89(14) . . . . ?
B9 B4 B8 Ni3 156.26(13) . . . . ?
B9 B4 B8 B7 102.90(15) . . . . ?
B9 B4 B8 B12 40.46(14) . . . . ?
B9 B5 B6 C1 -96.93(14) . . . . ?
B9 B5 B6 C2 -62.44(16) . . . . ?
B9 B5 B6 B10 38.51(13) . . . . ?
B9 B5 B6 B11 -1.01(17) . . . . ?
B9 B5 B6 B2 -62.44(16) . . . . ?
B9 B5 B10 B6 -137.50(15) . . . . ?
B9 B5 B10 B11 -98.60(15) . . . . ?
B9 B5 B10 B12 -35.28(14) . . . . ?
B9 B5 C4 C1 140.23(16) . . . . ?
B9 B5 C4 Ni3 107.61(17) . . . . ?
B9 B5 C4 B8 33.50(14) . . . . ?
B9 B8 B12 B7 137.30(16) . . . . ?
B9 B8 B12 B10 36.39(14) . . . . ?
B9 B8 B12 B11 100.38(16) . . . . ?
B9 B8 C4 C1 -97.09(15) . . . . ?
B9 B8 C4 Ni3 -156.26(13) . . . . ?
B9 B8 C4 B5 -33.39(14) . . . . ?
B9 B10 B11 C2 -61.14(17) . . . . ?
B9 B10 B11 B6 -101.69(15) . . . . ?
B9 B10 B11 B7 3.41(19) . . . . ?
B9 B10 B11 B12 39.44(13) . . . . ?
B9 B10 B11 B2 -61.14(17) . . . . ?
B9 B10 B12 B7 -99.12(16) . . . . ?
B9 B10 B12 B8 -35.99(14) . . . . ?
B9 B10 B12 B11 -134.70(14) . . . . ?
B10 B5 B6 C1 -135.44(15) . . . . ?
B10 B5 B6 C2 -100.95(15) . . . . ?
B10 B5 B6 B11 -39.52(13) . . . . ?
B10 B5 B6 B2 -100.95(15) . . . . ?
B10 B5 B9 B4 133.89(15) . . . . ?
B10 B5 B9 B8 99.93(16) . . . . ?
B10 B5 B9 B12 35.22(13) . . . . ?
B10 B5 B9 C4 133.89(15) . . . . ?
B10 B5 C4 C1 99.34(15) . . . . ?
B10 B5 C4 Ni3 66.73(18) . . . . ?
B10 B5 C4 B8 -7.39(19) . . . . ?
B10 B5 C4 B9 -40.89(14) . . . . ?
B10 B6 B11 C2 -133.79(15) . . . . ?
B10 B6 B11 B7 -99.43(16) . . . . ?
B10 B6 B11 B12 -34.71(13) . . . . ?
B10 B6 B11 B2 -133.79(15) . . . . ?
B10 B6 B2 C1 -98.27(15) . . . . ?
B10 B6 B2 Ni3 -65.20(19) . . . . ?
B10 B6 B2 B7 7.83(19) . . . . ?
B10 B6 B2 B11 41.02(14) . . . . ?
B10 B9 B12 B7 102.74(15) . . . . ?
B10 B9 B12 B8 140.23(15) . . . . ?
B10 B9 B12 B11 40.33(13) . . . . ?
B10 B9 C4 C1 4.89(19) . . . . ?
B10 B9 C4 Ni3 -78.28(17) . . . . ?
B10 B9 C4 B5 39.81(14) . . . . ?
B10 B9 C4 B8 -103.54(16) . . . . ?
B10 B11 B12 B7 -140.27(16) . . . . ?
B10 B11 B12 B8 -103.44(16) . . . . ?
B10 B11 B12 B9 -40.51(13) . . . . ?
B10 B11 B2 C1 -2.84(19) . . . . ?
B10 B11 B2 Ni3 81.76(16) . . . . ?
B10 B11 B2 B6 -39.71(13) . . . . ?
B10 B11 B2 B7 103.86(15) . . . . ?
B11 C2 B6 C1 139.30(16) . . . . ?
B11 C2 B6 B5 103.36(16) . . . . ?
B11 C2 B6 B10 41.02(14) . . . . ?
B11 C2 B7 Ni3 -158.83(13) . . . . ?
B11 C2 B7 B8 -103.47(15) . . . . ?
B11 C2 B7 B12 -41.09(14) . . . . ?
B11 B6 B10 B5 136.22(14) . . . . ?
B11 B6 B10 B9 98.25(15) . . . . ?
B11 B6 B10 B12 35.23(14) . . . . ?
B11 B6 B2 C1 -139.30(16) . . . . ?
B11 B6 B2 Ni3 -106.22(18) . . . . ?
B11 B6 B2 B7 -33.19(14) . . . . ?
B11 B7 B8 Ni3 -115.96(14) . . . . ?
B11 B7 B8 B4 -62.14(16) . . . . ?
B11 B7 B8 B9 -0.22(19) . . . . ?
B11 B7 B8 B12 37.62(14) . . . . ?
B11 B7 B8 C4 -62.14(16) . . . . ?
B11 B7 B12 B8 -138.10(16) . . . . ?
B11 B7 B12 B9 -100.30(16) . . . . ?
B11 B7 B12 B10 -36.03(14) . . . . ?
B11 B7 B2 C1 99.13(16) . . . . ?
B11 B7 B2 Ni3 158.83(13) . . . . ?
B11 B7 B2 B6 33.49(14) . . . . ?
B11 B10 B12 B7 35.58(14) . . . . ?
B11 B10 B12 B8 98.71(15) . . . . ?
B11 B10 B12 B9 134.70(14) . . . . ?
B12 B7 B8 Ni3 -153.58(13) . . . . ?
B12 B7 B8 B4 -99.76(14) . . . . ?
B12 B7 B8 B9 -37.84(14) . . . . ?
B12 B7 B8 C4 -99.76(14) . . . . ?
B12 B7 B11 C2 132.78(16) . . . . ?
B12 B7 B11 B6 98.83(17) . . . . ?
B12 B7 B11 B10 35.67(14) . . . . ?
B12 B7 B11 B2 132.78(16) . . . . ?
B12 B7 B2 C1 58.05(17) . . . . ?
B12 B7 B2 Ni3 117.74(13) . . . . ?
B12 B7 B2 B6 -7.59(19) . . . . ?
B12 B7 B2 B11 -41.09(14) . . . . ?
B12 B8 B9 B4 -133.33(15) . . . . ?
B12 B8 B9 B5 -99.02(17) . . . . ?
B12 B8 B9 B10 -35.83(14) . . . . ?
B12 B8 B9 C4 -133.33(15) . . . . ?
B12 B8 C4 C1 -56.64(17) . . . . ?
B12 B8 C4 Ni3 -115.80(13) . . . . ?
B12 B8 C4 B5 7.07(19) . . . . ?
B12 B8 C4 B9 40.46(14) . . . . ?
B12 B9 B10 B5 -140.60(15) . . . . ?
B12 B9 B10 B6 -102.81(16) . . . . ?
B12 B9 B10 B11 -39.70(13) . . . . ?
B12 B9 C4 C1 67.24(17) . . . . ?
B12 B9 C4 Ni3 -15.93(19) . . . . ?
B12 B9 C4 B5 102.17(16) . . . . ?
B12 B9 C4 B8 -41.19(13) . . . . ?
B12 B10 B11 C2 -100.58(15) . . . . ?
B12 B10 B11 B6 -141.12(15) . . . . ?
B12 B10 B11 B7 -36.03(14) . . . . ?
B12 B10 B11 B2 -100.58(15) . . . . ?
B12 B11 B2 C1 -64.97(18) . . . . ?
B12 B11 B2 Ni3 19.6(2) . . . . ?
B12 B11 B2 B6 -101.83(16) . . . . ?
B12 B11 B2 B7 41.74(14) . . . . ?
C1' C1 C2 Ni3 97.99(14) . . . . ?
C1' C1 C2 B6 -107.59(17) . . . . ?
C1' C1 C2 B7 151.20(14) . . . . ?
C1' C1 C2 B11 -144.47(15) . . . . ?
C1' C1 B4 Ni3 -97.51(14) . . . . ?
C1' C1 B4 B5 108.74(17) . . . . ?
C1' C1 B4 B8 -151.33(15) . . . . ?
C1' C1 B4 B9 144.20(15) . . . . ?
C1' C1 B5 B4 -115.00(17) . . . . ?
C1' C1 B5 B6 107.58(17) . . . . ?
C1' C1 B5 B9 -149.58(15) . . . . ?
C1' C1 B5 B10 146.84(15) . . . . ?
C1' C1 B5 C4 -115.00(17) . . . . ?
C1' C1 B6 C2 113.36(17) . . . . ?
C1' C1 B6 B5 -108.76(17) . . . . ?
C1' C1 B6 B10 -147.99(15) . . . . ?
C1' C1 B6 B11 148.64(15) . . . . ?
C1' C1 B6 B2 113.36(17) . . . . ?
C1' C1 C4 Ni3 -97.51(14) . . . . ?
C1' C1 C4 B5 108.74(17) . . . . ?
C1' C1 C4 B8 -151.33(15) . . . . ?
C1' C1 C4 B9 144.20(15) . . . . ?
C1' C1 B2 Ni3 97.99(14) . . . . ?
C1' C1 B2 B6 -107.59(17) . . . . ?
C1' C1 B2 B7 151.20(14) . . . . ?
C1' C1 B2 B11 -144.47(15) . . . . ?
C1' C2' B3' B4' 37.17(13) . . . . ?
C1' C2' B3' B7' 140.17(15) . . . . ?
C1' C2' B3' B8' 99.66(15) . . . . ?
C1' C2' B6' B5' -36.51(13) . . . . ?
C1' C2' B6' B10' -99.26(14) . . . . ?
C1' C2' B6' B11' -139.98(15) . . . . ?
C1' C2' B7' B3' -37.83(14) . . . . ?
C1' C2' B7' B8' 2.15(19) . . . . ?
C1' C2' B7' B11' 105.21(16) . . . . ?
C1' C2' B7' B12' 64.42(17) . . . . ?
C1' C2' B11' B6' 38.28(13) . . . . ?
C1' C2' B11' B7' -105.00(16) . . . . ?
C1' C2' B11' B10' -1.73(19) . . . . ?
C1' C2' B11' B12' -63.92(18) . . . . ?
C1' B3' B4' B5' 34.38(13) . . . . ?
C1' B3' B4' B8' 135.82(15) . . . . ?
C1' B3' B4' B9' 98.18(15) . . . . ?
C1' B3' B7' C2' 34.44(13) . . . . ?
C1' B3' B7' B8' -99.28(15) . . . . ?
C1' B3' B7' B11' 1.7(2) . . . . ?
C1' B3' B7' B12' -61.57(17) . . . . ?
C1' B3' B8' B4' -38.03(13) . . . . ?
C1' B3' B8' B7' 99.72(15) . . . . ?
C1' B3' B8' B9' -0.72(19) . . . . ?
C1' B3' B8' B12' 62.10(18) . . . . ?
C1' B4' B5' B6' 35.51(13) . . . . ?
C1' B4' B5' B9' 135.37(15) . . . . ?
C1' B4' B5' B10' 97.86(15) . . . . ?
C1' B4' B8' B3' 38.74(13) . . . . ?
C1' B4' B8' B7' 1.02(19) . . . . ?
C1' B4' B8' B9' -99.25(15) . . . . ?
C1' B4' B8' B12' -62.12(18) . . . . ?
C1' B4' B9' B5' -38.61(13) . . . . ?
C1' B4' B9' B8' 99.87(15) . . . . ?
C1' B4' B9' B10' -1.23(19) . . . . ?
C1' B4' B9' B12' 62.13(18) . . . . ?
C1' B5' B6' C2' 36.38(13) . . . . ?
C1' B5' B6' B10' 135.36(15) . . . . ?
C1' B5' B6' B11' 97.41(15) . . . . ?
C1' B5' B9' B4' 38.30(13) . . . . ?
C1' B5' B9' B8' 1.08(19) . . . . ?
C1' B5' B9' B10' -99.77(15) . . . . ?
C1' B5' B9' B12' -62.81(18) . . . . ?
C1' B5' B10' B6' -39.14(13) . . . . ?
C1' B5' B10' B9' 98.48(15) . . . . ?
C1' B5' B10' B11' -1.53(18) . . . . ?
C1' B5' B10' B12' 61.73(17) . . . . ?
C1' B6' B10' B5' 38.26(13) . . . . ?
C1' B6' B10' B9' 0.43(19) . . . . ?
C1' B6' B10' B11' -99.77(15) . . . . ?
C1' B6' B10' B12' -62.49(18) . . . . ?
C1' B6' B11' C2' -34.48(13) . . . . ?
C1' B6' B11' B7' -2.08(19) . . . . ?
C1' B6' B11' B10' 99.07(15) . . . . ?
C1' B6' B11' B12' 61.73(18) . . . . ?
C2' C1' B3' B4' -136.54(15) . . . . ?
C2' C1' B3' B7' -34.46(13) . . . . ?
C2' C1' B3' B8' -97.57(15) . . . . ?
C2' C1' B4' B3' 39.03(13) . . . . ?
C2' C1' B4' B5' -102.08(15) . . . . ?
C2' C1' B4' B8' 0.27(18) . . . . ?
C2' C1' B4' B9' -62.71(17) . . . . ?
C2' C1' B5' B4' 101.94(15) . . . . ?
C2' C1' B5' B6' -38.29(13) . . . . ?
C2' C1' B5' B9' 63.14(16) . . . . ?
C2' C1' B5' B10' 0.48(17) . . . . ?
C2' C1' B6' B5' 137.25(15) . . . . ?
C2' C1' B6' B10' 97.85(15) . . . . ?
C2' C1' B6' B11' 34.71(13) . . . . ?
C2' B3' B4' C1' -37.06(12) . . . . ?
C2' B3' B4' B5' -2.67(19) . . . . ?
C2' B3' B4' B8' 98.76(15) . . . . ?
C2' B3' B4' B9' 61.12(17) . . . . ?
C2' B3' B7' B8' -133.72(15) . . . . ?
C2' B3' B7' B11' -32.71(14) . . . . ?
C2' B3' B7' B12' -96.01(15) . . . . ?
C2' B3' B8' B4' -98.41(15) . . . . ?
C2' B3' B8' B7' 39.35(13) . . . . ?
C2' B3' B8' B9' -61.09(18) . . . . ?
C2' B3' B8' B12' 1.73(19) . . . . ?
C2' B6' B10' B5' 98.38(15) . . . . ?
C2' B6' B10' B9' 60.55(18) . . . . ?
C2' B6' B10' B11' -39.65(13) . . . . ?
C2' B6' B10' B12' -2.37(19) . . . . ?
C2' B6' B11' B7' 32.40(14) . . . . ?
C2' B6' B11' B10' 133.55(15) . . . . ?
C2' B6' B11' B12' 96.21(15) . . . . ?
C2' B7' B8' B3' -39.61(13) . . . . ?
C2' B7' B8' B4' -1.88(19) . . . . ?
C2' B7' B8' B9' 61.07(18) . . . . ?
C2' B7' B8' B12' 98.15(16) . . . . ?
C2' B7' B11' B6' -32.55(14) . . . . ?
C2' B7' B11' B10' -95.44(16) . . . . ?
C2' B7' B11' B12' -132.89(16) . . . . ?
C2' B7' B12' B8' -98.61(15) . . . . ?
C2' B7' B12' B9' -61.16(18) . . . . ?
C2' B7' B12' B10' 2.84(19) . . . . ?
C2' B7' B12' B11' 40.12(13) . . . . ?
C2' B11' B12' B7' -40.05(14) . . . . ?
C2' B11' B12' B8' -3.2(2) . . . . ?
C2' B11' B12' B9' 60.45(18) . . . . ?
C2' B11' B12' B10' 98.25(16) . . . . ?
B3' C1' C2' B6' 146.02(15) . . . . ?
B3' C1' C2' B7' 38.34(15) . . . . ?
B3' C1' C2' B11' 107.55(16) . . . . ?
B3' C1' B4' B5' -141.11(15) . . . . ?
B3' C1' B4' B8' -38.75(14) . . . . ?
B3' C1' B4' B9' -101.74(16) . . . . ?
B3' C1' B5' B4' 37.19(15) . . . . ?
B3' C1' B5' B6' -103.05(16) . . . . ?
B3' C1' B5' B9' -1.62(19) . . . . ?
B3' C1' B5' B10' -64.28(17) . . . . ?
B3' C1' B6' C2' -31.42(13) . . . . ?
B3' C1' B6' B5' 105.83(15) . . . . ?
B3' C1' B6' B10' 66.42(18) . . . . ?
B3' C1' B6' B11' 3.29(19) . . . . ?
B3' C2' B6' C1' 33.06(14) . . . . ?
B3' C2' B6' B5' -3.5(2) . . . . ?
B3' C2' B6' B10' -66.21(18) . . . . ?
B3' C2' B6' B11' -106.92(17) . . . . ?
B3' C2' B7' B8' 39.98(13) . . . . ?
B3' C2' B7' B11' 143.04(16) . . . . ?
B3' C2' B7' B12' 102.24(16) . . . . ?
B3' C2' B11' B6' 106.84(16) . . . . ?
B3' C2' B11' B7' -36.43(16) . . . . ?
B3' C2' B11' B10' 66.83(18) . . . . ?
B3' C2' B11' B12' 4.6(2) . . . . ?
B3' B4' B5' C1' -34.74(13) . . . . ?
B3' B4' B5' B6' 0.8(2) . . . . ?
B3' B4' B5' B9' 100.63(16) . . . . ?
B3' B4' B5' B10' 63.12(18) . . . . ?
B3' B4' B8' B7' -37.72(14) . . . . ?
B3' B4' B8' B9' -137.99(15) . . . . ?
B3' B4' B8' B12' -100.86(16) . . . . ?
B3' B4' B9' B5' -101.13(15) . . . . ?
B3' B4' B9' B8' 37.34(14) . . . . ?
B3' B4' B9' B10' -63.75(18) . . . . ?
B3' B4' B9' B12' -0.39(19) . . . . ?
B3' B7' B8' B4' 37.73(14) . . . . ?
B3' B7' B8' B9' 100.68(16) . . . . ?
B3' B7' B8' B12' 137.76(16) . . . . ?
B3' B7' B11' C2' 32.78(14) . . . . ?
B3' B7' B11' B6' 0.2(2) . . . . ?
B3' B7' B11' B10' -62.66(19) . . . . ?
B3' B7' B11' B12' -100.11(17) . . . . ?
B3' B7' B12' B8' -37.41(14) . . . . ?
B3' B7' B12' B9' 0.04(19) . . . . ?
B3' B7' B12' B10' 64.04(18) . . . . ?
B3' B7' B12' B11' 101.32(16) . . . . ?
B3' B8' B9' B4' -37.49(14) . . . . ?
B3' B8' B9' B5' -0.2(2) . . . . ?
B3' B8' B9' B10' 63.13(19) . . . . ?
B3' B8' B9' B12' 100.55(16) . . . . ?
B3' B8' B12' B7' 37.69(14) . . . . ?
B3' B8' B12' B9' -100.47(16) . . . . ?
B3' B8' B12' B10' -62.69(19) . . . . ?
B3' B8' B12' B11' 0.9(2) . . . . ?
B4' C1' C2' B3' -39.93(13) . . . . ?
B4' C1' C2' B6' 106.09(15) . . . . ?
B4' C1' C2' B7' -1.59(19) . . . . ?
B4' C1' C2' B11' 67.62(17) . . . . ?
B4' C1' B3' C2' 136.54(15) . . . . ?
B4' C1' B3' B7' 102.08(16) . . . . ?
B4' C1' B3' B8' 38.97(14) . . . . ?
B4' C1' B5' B6' -140.24(15) . . . . ?
B4' C1' B5' B9' -38.80(14) . . . . ?
B4' C1' B5' B10' -101.47(16) . . . . ?
B4' C1' B6' C2' -99.12(15) . . . . ?
B4' C1' B6' B5' 38.13(14) . . . . ?
B4' C1' B6' B10' -1.28(19) . . . . ?
B4' C1' B6' B11' -64.41(18) . . . . ?
B4' B3' B7' C2' 95.73(15) . . . . ?
B4' B3' B7' B8' -37.99(14) . . . . ?
B4' B3' B7' B11' 63.02(18) . . . . ?
B4' B3' B7' B12' -0.28(18) . . . . ?
B4' B3' B8' B7' 137.75(15) . . . . ?
B4' B3' B8' B9' 37.32(14) . . . . ?
B4' B3' B8' B12' 100.13(16) . . . . ?
B4' B5' B6' C1' -34.91(13) . . . . ?
B4' B5' B6' C2' 1.47(19) . . . . ?
B4' B5' B6' B10' 100.44(16) . . . . ?
B4' B5' B6' B11' 62.49(18) . . . . ?
B4' B5' B9' B8' -37.22(14) . . . . ?
B4' B5' B9' B10' -138.07(16) . . . . ?
B4' B5' B9' B12' -101.11(17) . . . . ?
B4' B5' B10' B6' -100.42(15) . . . . ?
B4' B5' B10' B9' 37.20(14) . . . . ?
B4' B5' B10' B11' -62.81(18) . . . . ?
B4' B5' B10' B12' 0.45(19) . . . . ?
B4' B8' B9' B5' 37.26(14) . . . . ?
B4' B8' B9' B10' 100.61(16) . . . . ?
B4' B8' B9' B12' 138.03(16) . . . . ?
B4' B8' B12' B7' 100.97(16) . . . . ?
B4' B8' B12' B9' -37.19(14) . . . . ?
B4' B8' B12' B10' 0.6(2) . . . . ?
B4' B8' B12' B11' 64.20(19) . . . . ?
B4' B9' B10' B5' -37.52(14) . . . . ?
B4' B9' B10' B6' 0.5(2) . . . . ?
B4' B9' B10' B11' 63.90(19) . . . . ?
B4' B9' B10' B12' 101.12(17) . . . . ?
B4' B9' B12' B7' 0.22(19) . . . . ?
B4' B9' B12' B8' 37.59(14) . . . . ?
B4' B9' B12' B10' -100.56(16) . . . . ?
B4' B9' B12' B11' -62.97(18) . . . . ?
B5' C1' C2' B3' -106.72(15) . . . . ?
B5' C1' C2' B6' 39.29(13) . . . . ?
B5' C1' C2' B7' -68.38(17) . . . . ?
B5' C1' C2' B11' 0.83(18) . . . . ?
B5' C1' B3' C2' 99.06(15) . . . . ?
B5' C1' B3' B4' -37.48(14) . . . . ?
B5' C1' B3' B7' 64.60(18) . . . . ?
B5' C1' B3' B8' 1.49(19) . . . . ?
B5' C1' B4' B3' 141.11(15) . . . . ?
B5' C1' B4' B8' 102.36(16) . . . . ?
B5' C1' B4' B9' 39.38(14) . . . . ?
B5' C1' B6' C2' -137.25(15) . . . . ?
B5' C1' B6' B10' -39.41(14) . . . . ?
B5' C1' B6' B11' -102.54(16) . . . . ?
B5' B4' B8' B3' 100.54(16) . . . . ?
B5' B4' B8' B7' 62.82(18) . . . . ?
B5' B4' B8' B9' -37.45(14) . . . . ?
B5' B4' B8' B12' -0.3(2) . . . . ?
B5' B4' B9' B8' 138.48(15) . . . . ?
B5' B4' B9' B10' 37.38(14) . . . . ?
B5' B4' B9' B12' 100.74(16) . . . . ?
B5' B6' B10' B9' -37.83(14) . . . . ?
B5' B6' B10' B11' -138.03(15) . . . . ?
B5' B6' B10' B12' -100.75(16) . . . . ?
B5' B6' B11' C2' -95.60(15) . . . . ?
B5' B6' B11' B7' -63.20(19) . . . . ?
B5' B6' B11' B10' 37.95(14) . . . . ?
B5' B6' B11' B12' 0.61(19) . . . . ?
B5' B9' B10' B6' 38.01(14) . . . . ?
B5' B9' B10' B11' 101.42(16) . . . . ?
B5' B9' B10' B12' 138.64(16) . . . . ?
B5' B9' B12' B7' 63.85(18) . . . . ?
B5' B9' B12' B8' 101.22(16) . . . . ?
B5' B9' B12' B10' -36.92(14) . . . . ?
B5' B9' B12' B11' 0.7(2) . . . . ?
B5' B10' B11' C2' 1.95(19) . . . . ?
B5' B10' B11' B6' -37.74(14) . . . . ?
B5' B10' B11' B7' 62.86(19) . . . . ?
B5' B10' B11' B12' 100.43(16) . . . . ?
B5' B10' B12' B7' -64.07(18) . . . . ?
B5' B10' B12' B8' -0.6(2) . . . . ?
B5' B10' B12' B9' 36.94(14) . . . . ?
B5' B10' B12' B11' -101.18(16) . . . . ?
B6' C1' C2' B3' -146.02(15) . . . . ?
B6' C1' C2' B7' -107.67(16) . . . . ?
B6' C1' C2' B11' -38.47(14) . . . . ?
B6' C1' B3' C2' 31.31(13) . . . . ?
B6' C1' B3' B4' -105.23(15) . . . . ?
B6' C1' B3' B7' -3.15(19) . . . . ?
B6' C1' B3' B8' -66.26(17) . . . . ?
B6' C1' B4' B3' 103.31(16) . . . . ?
B6' C1' B4' B5' -37.80(14) . . . . ?
B6' C1' B4' B8' 64.56(18) . . . . ?
B6' C1' B4' B9' 1.58(19) . . . . ?
B6' C1' B5' B4' 140.24(15) . . . . ?
B6' C1' B5' B9' 101.43(16) . . . . ?
B6' C1' B5' B10' 38.77(13) . . . . ?
B6' C2' B3' C1' -33.25(14) . . . . ?
B6' C2' B3' B4' 3.9(2) . . . . ?
B6' C2' B3' B7' 106.92(17) . . . . ?
B6' C2' B3' B8' 66.41(19) . . . . ?
B6' C2' B7' B3' -106.96(16) . . . . ?
B6' C2' B7' B8' -66.98(18) . . . . ?
B6' C2' B7' B11' 36.08(15) . . . . ?
B6' C2' B7' B12' -4.7(2) . . . . ?
B6' C2' B11' B7' -143.27(16) . . . . ?
B6' C2' B11' B10' -40.01(13) . . . . ?
B6' C2' B11' B12' -102.20(16) . . . . ?
B6' B5' B9' B4' 100.83(15) . . . . ?
B6' B5' B9' B8' 63.61(18) . . . . ?
B6' B5' B9' B10' -37.24(14) . . . . ?
B6' B5' B9' B12' -0.28(19) . . . . ?
B6' B5' B10' B9' 137.63(15) . . . . ?
B6' B5' B10' B11' 37.62(14) . . . . ?
B6' B5' B10' B12' 100.87(16) . . . . ?
B6' B10' B11' C2' 39.70(13) . . . . ?
B6' B10' B11' B7' 100.60(16) . . . . ?
B6' B10' B11' B12' 138.18(15) . . . . ?
B6' B10' B12' B7' -0.3(2) . . . . ?
B6' B10' B12' B8' 63.13(19) . . . . ?
B6' B10' B12' B9' 100.71(16) . . . . ?
B6' B10' B12' B11' -37.40(14) . . . . ?
B6' B11' B12' B7' -101.29(16) . . . . ?
B6' B11' B12' B8' -64.41(19) . . . . ?
B6' B11' B12' B9' -0.8(2) . . . . ?
B6' B11' B12' B10' 37.01(14) . . . . ?
B7' C2' B3' C1' -140.17(15) . . . . ?
B7' C2' B3' B4' -103.00(16) . . . . ?
B7' C2' B3' B8' -40.50(14) . . . . ?
B7' C2' B6' C1' 103.84(16) . . . . ?
B7' C2' B6' B5' 67.33(18) . . . . ?
B7' C2' B6' B10' 4.6(2) . . . . ?
B7' C2' B6' B11' -36.14(15) . . . . ?
B7' C2' B11' B6' 143.27(16) . . . . ?
B7' C2' B11' B10' 103.26(16) . . . . ?
B7' C2' B11' B12' 41.08(14) . . . . ?
B7' B3' B4' C1' -97.76(15) . . . . ?
B7' B3' B4' B5' -63.38(18) . . . . ?
B7' B3' B4' B8' 38.06(14) . . . . ?
B7' B3' B4' B9' 0.42(18) . . . . ?
B7' B3' B8' B4' -137.75(15) . . . . ?
B7' B3' B8' B9' -100.44(16) . . . . ?
B7' B3' B8' B12' -37.62(14) . . . . ?
B7' B8' B9' B4' -100.79(16) . . . . ?
B7' B8' B9' B5' -63.53(18) . . . . ?
B7' B8' B9' B10' -0.2(2) . . . . ?
B7' B8' B9' B12' 37.24(14) . . . . ?
B7' B8' B12' B9' -138.16(16) . . . . ?
B7' B8' B12' B10' -100.38(16) . . . . ?
B7' B8' B12' B11' -36.77(14) . . . . ?
B7' B11' B12' B8' 36.87(15) . . . . ?
B7' B11' B12' B9' 100.50(17) . . . . ?
B7' B11' B12' B10' 138.30(16) . . . . ?
B8' B3' B4' C1' -135.82(15) . . . . ?
B8' B3' B4' B5' -101.43(16) . . . . ?
B8' B3' B4' B9' -37.64(14) . . . . ?
B8' B3' B7' C2' 133.72(15) . . . . ?
B8' B3' B7' B11' 101.01(17) . . . . ?
B8' B3' B7' B12' 37.71(14) . . . . ?
B8' B4' B5' C1' -97.94(15) . . . . ?
B8' B4' B5' B6' -62.43(18) . . . . ?
B8' B4' B5' B9' 37.43(14) . . . . ?
B8' B4' B5' B10' -0.08(19) . . . . ?
B8' B4' B9' B5' -138.48(15) . . . . ?
B8' B4' B9' B10' -101.09(16) . . . . ?
B8' B4' B9' B12' -37.73(14) . . . . ?
B8' B7' B11' C2' 95.80(16) . . . . ?
B8' B7' B11' B6' 63.26(19) . . . . ?
B8' B7' B11' B10' 0.4(2) . . . . ?
B8' B7' B11' B12' -37.09(15) . . . . ?
B8' B7' B12' B9' 37.45(14) . . . . ?
B8' B7' B12' B10' 101.45(17) . . . . ?
B8' B7' B12' B11' 138.73(16) . . . . ?
B8' B9' B10' B5' -101.01(16) . . . . ?
B8' B9' B10' B6' -63.00(19) . . . . ?
B8' B9' B10' B11' 0.4(2) . . . . ?
B8' B9' B10' B12' 37.62(15) . . . . ?
B8' B9' B12' B7' -37.37(14) . . . . ?
B8' B9' B12' B10' -138.15(16) . . . . ?
B8' B9' B12' B11' -100.56(16) . . . . ?
B9' B4' B5' C1' -135.37(15) . . . . ?
B9' B4' B5' B6' -99.86(16) . . . . ?
B9' B4' B5' B10' -37.51(14) . . . . ?
B9' B4' B8' B3' 137.99(15) . . . . ?
B9' B4' B8' B7' 100.27(16) . . . . ?
B9' B4' B8' B12' 37.13(14) . . . . ?
B9' B5' B6' C1' -97.61(15) . . . . ?
B9' B5' B6' C2' -61.23(17) . . . . ?
B9' B5' B6' B10' 37.74(14) . . . . ?
B9' B5' B6' B11' -0.20(19) . . . . ?
B9' B5' B10' B6' -137.63(15) . . . . ?
B9' B5' B10' B11' -100.01(16) . . . . ?
B9' B5' B10' B12' -36.75(14) . . . . ?
B9' B8' B12' B7' 138.16(16) . . . . ?
B9' B8' B12' B10' 37.78(14) . . . . ?
B9' B8' B12' B11' 101.39(17) . . . . ?
B9' B10' B11' C2' -61.38(18) . . . . ?
B9' B10' B11' B6' -101.07(16) . . . . ?
B9' B10' B11' B7' -0.5(2) . . . . ?
B9' B10' B11' B12' 37.10(14) . . . . ?
B9' B10' B12' B7' -101.01(16) . . . . ?
B9' B10' B12' B8' -37.58(14) . . . . ?
B9' B10' B12' B11' -138.12(16) . . . . ?
B10' B5' B6' C1' -135.36(15) . . . . ?
B10' B5' B6' C2' -98.98(15) . . . . ?
B10' B5' B6' B11' -37.95(14) . . . . ?
B10' B5' B9' B4' 138.07(16) . . . . ?
B10' B5' B9' B8' 100.85(16) . . . . ?
B10' B5' B9' B12' 36.96(14) . . . . ?
B10' B6' B11' C2' -133.55(15) . . . . ?
B10' B6' B11' B7' -101.15(16) . . . . ?
B10' B6' B11' B12' -37.34(14) . . . . ?
B10' B9' B12' B7' 100.78(16) . . . . ?
B10' B9' B12' B8' 138.15(16) . . . . ?
B10' B9' B12' B11' 37.59(14) . . . . ?
B10' B11' B12' B7' -138.30(16) . . . . ?
B10' B11' B12' B8' -101.43(17) . . . . ?
B10' B11' B12' B9' -37.80(15) . . . . ?
B11' C2' B3' C1' -103.77(16) . . . . ?
B11' C2' B3' B4' -66.60(19) . . . . ?
B11' C2' B3' B7' 36.40(16) . . . . ?
B11' C2' B3' B8' -4.1(2) . . . . ?
B11' C2' B6' C1' 139.98(14) . . . . ?
B11' C2' B6' B5' 103.47(16) . . . . ?
B11' C2' B6' B10' 40.72(14) . . . . ?
B11' C2' B7' B3' -143.04(16) . . . . ?
B11' C2' B7' B8' -103.06(16) . . . . ?
B11' C2' B7' B12' -40.79(14) . . . . ?
B11' B6' B10' B5' 138.03(15) . . . . ?
B11' B6' B10' B9' 100.20(16) . . . . ?
B11' B6' B10' B12' 37.28(14) . . . . ?
B11' B7' B8' B3' -100.79(16) . . . . ?
B11' B7' B8' B4' -63.06(18) . . . . ?
B11' B7' B8' B9' -0.1(2) . . . . ?
B11' B7' B8' B12' 36.97(15) . . . . ?
B11' B7' B12' B8' -138.73(16) . . . . ?
B11' B7' B12' B9' -101.28(17) . . . . ?
B11' B7' B12' B10' -37.28(15) . . . . ?
B11' B10' B12' B7' 37.11(15) . . . . ?
B11' B10' B12' B8' 100.53(17) . . . . ?
B11' B10' B12' B9' 138.12(16) . . . . ?
B12' B7' B8' B3' -137.76(16) . . . . ?
B12' B7' B8' B4' -100.03(16) . . . . ?
B12' B7' B8' B9' -37.08(14) . . . . ?
B12' B7' B11' C2' 132.89(16) . . . . ?
B12' B7' B11' B6' 100.34(17) . . . . ?
B12' B7' B11' B10' 37.45(15) . . . . ?
B12' B8' B9' B4' -138.03(16) . . . . ?
B12' B8' B9' B5' -100.77(16) . . . . ?
B12' B8' B9' B10' -37.42(15) . . . . ?
B12' B9' B10' B5' -138.64(16) . . . . ?
B12' B9' B10' B6' -100.63(17) . . . . ?
B12' B9' B10' B11' -37.22(15) . . . . ?
B12' B10' B11' C2' -98.48(15) . . . . ?
B12' B10' B11' B6' -138.18(15) . . . . ?
B12' B10' B11' B7' -37.58(15) . . . . ?
C4 C1 B5 B6 -137.42(15) . . . . ?
C4 C1 B5 B9 -34.58(14) . . . . ?
C4 C1 B5 B10 -98.16(15) . . . . ?
C4 C1 B6 B5 42.06(15) . . . . ?
C4 C1 B6 B10 2.84(19) . . . . ?
C4 C1 B6 B11 -60.54(18) . . . . ?
C4 C1 B6 B2 -95.82(16) . . . . ?
C4 C1 C1' C2' -50.3(2) . . . . ?
C4 C1 C1' B3' 19.2(2) . . . . ?
C4 C1 C1' B4' 92.2(2) . . . . ?
C4 C1 C1' B5' 168.16(15) . . . . ?
C4 C1 C1' B6' -119.28(17) . . . . ?
C4 C1 B2 Ni3 -45.45(10) . . . . ?
C4 C1 B2 B6 108.97(14) . . . . ?
C4 C1 B2 B7 7.76(17) . . . . ?
C4 C1 B2 B11 72.09(16) . . . . ?
C4 B5 B6 C1 -35.33(12) . . . . ?
C4 B5 B6 B10 100.11(15) . . . . ?
C4 B5 B6 B11 60.59(16) . . . . ?
C4 B5 B6 B2 -0.85(18) . . . . ?
C4 B5 B9 B8 -33.96(14) . . . . ?
C4 B5 B9 B10 -133.89(15) . . . . ?
C4 B5 B9 B12 -98.68(15) . . . . ?
C4 B5 B10 B6 -97.59(15) . . . . ?
C4 B5 B10 B9 39.91(13) . . . . ?
C4 B5 B10 B11 -58.70(17) . . . . ?
C4 B5 B10 B12 4.63(19) . . . . ?
C4 B8 B9 B5 34.31(14) . . . . ?
C4 B8 B9 B10 97.50(16) . . . . ?
C4 B8 B9 B12 133.33(15) . . . . ?
C4 B8 B12 B7 96.82(15) . . . . ?
C4 B8 B12 B9 -40.48(14) . . . . ?
C4 B8 B12 B10 -4.09(19) . . . . ?
C4 B8 B12 B11 59.91(18) . . . . ?
C4 B9 B10 B5 -41.00(13) . . . . ?
C4 B9 B10 B6 -3.21(19) . . . . ?
C4 B9 B10 B11 59.90(18) . . . . ?
C4 B9 B10 B12 99.60(15) . . . . ?
C4 B9 B12 B7 3.60(18) . . . . ?
C4 B9 B12 B8 41.09(13) . . . . ?
C4 B9 B12 B10 -99.14(15) . . . . ?
C4 B9 B12 B11 -58.81(17) . . . . ?
B2 C1 B5 B6 -40.86(15) . . . . ?
B2 C1 B5 B9 61.99(18) . . . . ?
B2 C1 B5 B10 -1.59(19) . . . . ?
B2 C1 B5 C4 96.57(16) . . . . ?
B2 C1 B6 B5 137.88(16) . . . . ?
B2 C1 B6 B10 98.66(16) . . . . ?
B2 C1 B6 B11 35.28(14) . . . . ?
B2 C1 C1' C2' 172.65(14) . . . . ?
B2 C1 C1' B3' -117.86(17) . . . . ?
B2 C1 C1' B4' -44.8(2) . . . . ?
B2 C1 C1' B5' 31.1(2) . . . . ?
B2 C1 C1' B6' 103.66(17) . . . . ?
B2 C1 C4 Ni3 45.37(10) . . . . ?
B2 C1 C4 B5 -108.37(15) . . . . ?
B2 C1 C4 B8 -8.45(17) . . . . ?
B2 C1 C4 B9 -72.92(16) . . . . ?
B2 B6 B10 B5 96.11(14) . . . . ?
B2 B6 B10 B9 58.14(18) . . . . ?
B2 B6 B10 B11 -40.11(13) . . . . ?
B2 B6 B10 B12 -4.88(19) . . . . ?
B2 B6 B11 B7 34.36(15) . . . . ?
B2 B6 B11 B10 133.79(15) . . . . ?
B2 B6 B11 B12 99.08(15) . . . . ?
B2 B7 B8 Ni3 -54.63(10) . . . . ?
B2 B7 B8 B9 61.10(17) . . . . ?
B2 B7 B8 B12 98.95(14) . . . . ?
B2 B7 B8 C4 -0.81(16) . . . . ?
B2 B7 B11 B6 -33.95(14) . . . . ?
B2 B7 B11 B10 -97.11(16) . . . . ?
B2 B7 B11 B12 -132.78(16) . . . . ?
B2 B7 B12 B8 -97.67(15) . . . . ?
B2 B7 B12 B9 -59.87(17) . . . . ?
B2 B7 B12 B10 4.40(19) . . . . ?
B2 B7 B12 B11 40.44(13) . . . . ?
B2 B11 B12 B7 -42.29(14) . . . . ?
B2 B11 B12 B8 -5.46(19) . . . . ?
B2 B11 B12 B9 57.47(17) . . . . ?
B2 B11 B12 B10 97.98(16) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

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

data_5285
_database_code_depnum_ccdc_archive 'CCDC 1492395'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2015-08-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H38 B19 Cl Ni P2'
_chemical_formula_sum            'C10 H38 B19 Cl Ni P2'
_chemical_formula_weight         519.89
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.2413(5)
_cell_length_b                   13.8817(6)
_cell_length_c                   18.1169(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.664(2)
_cell_angle_gamma                90
_cell_volume                     2801.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.474
_cell_measurement_theta_min      2.276
_shelx_estimated_absorpt_T_max   0.840
_shelx_estimated_absorpt_T_min   0.714
_exptl_absorpt_coefficient_mu    0.904
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0688 before and 0.0562 after correction.
The Ratio of minimum to maximum transmission is 0.8505.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            50624
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.548
_diffrn_reflns_theta_min         1.854
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5508
_reflns_number_total             7045
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         7045
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.039
_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)+(0.0519P)²+0.0935P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0934
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C102(H10D,H10E,H10F), C103(H10G,H10H,H10I), C201(H20A,
 H20B,H20C), C202(H20D,H20E,H20F), C203(H20G,H20H,H20I)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.61823(14) 0.25153(12) 0.13191(9) 0.0224(3) Uani 1 1 d . . . . .
Cl1 Cl 0.68603(4) 0.48615(3) 0.24193(3) 0.03275(11) Uani 1 1 d . . . . .
P1 P 0.75711(4) 0.31276(3) 0.34731(2) 0.02439(11) Uani 1 1 d . . . . .
C2 C 0.62363(15) 0.19441(12) 0.20834(9) 0.0221(3) Uani 1 1 d . . . . .
H2 H 0.6988(17) 0.1644(12) 0.2269(10) 0.027 Uiso 1 1 d R . . . .
P2 P 0.34814(4) 0.42663(4) 0.24967(3) 0.03486(13) Uani 1 1 d . . . . .
Ni3 Ni 0.63270(2) 0.33428(2) 0.24341(2) 0.02122(7) Uani 1 1 d . . . . .
B4 B 0.51714(17) 0.34063(14) 0.13685(11) 0.0248(4) Uani 1 1 d . . . . .
H4 H 0.5280(16) 0.4061(13) 0.1074(10) 0.030 Uiso 1 1 d R . . . .
B5 B 0.48471(18) 0.23511(16) 0.07761(11) 0.0286(4) Uani 1 1 d . . . . .
H5 H 0.4852(16) 0.2398(14) 0.0204(11) 0.034 Uiso 1 1 d R . . . .
B6 B 0.55834(18) 0.13751(15) 0.12477(11) 0.0275(4) Uani 1 1 d . . . . .
H6 H 0.6050(16) 0.0815(13) 0.1024(10) 0.033 Uiso 1 1 d R . . . .
B7 B 0.51464(17) 0.23032(14) 0.26678(11) 0.0245(4) Uani 1 1 d . . . . .
H7 H 0.5248(16) 0.2113(13) 0.3229(10) 0.029 Uiso 1 1 d R . . . .
B8 B 0.43956(17) 0.32399(14) 0.21561(11) 0.0260(4) Uani 1 1 d . . . . .
B9 B 0.37325(18) 0.27845(16) 0.12867(12) 0.0320(5) Uani 1 1 d . . . . .
H9 H 0.2912(18) 0.3126(13) 0.1013(11) 0.038 Uiso 1 1 d R . . . .
B10 B 0.40386(19) 0.15228(16) 0.12522(12) 0.0325(5) Uani 1 1 d . . . . .
H10 H 0.3402(17) 0.0989(14) 0.0948(11) 0.039 Uiso 1 1 d R . . . .
B11 B 0.49904(18) 0.12495(15) 0.21047(12) 0.0282(4) Uani 1 1 d . . . . .
H11 H 0.5043(16) 0.0572(14) 0.2363(10) 0.034 Uiso 1 1 d R . . . .
B12 B 0.37615(18) 0.20672(16) 0.20919(12) 0.0304(4) Uani 1 1 d . . . . .
H12 H 0.2979(17) 0.1933(13) 0.2334(11) 0.036 Uiso 1 1 d R . . . .
C101 C 0.78275(18) 0.19021(13) 0.38062(11) 0.0371(5) Uani 1 1 d . . . . .
H10A H 0.7055 0.1587 0.3835 0.056 Uiso 1 1 calc GR . . . .
H10B H 0.8299 0.1912 0.4302 0.056 Uiso 1 1 calc GR . . . .
H10C H 0.8267 0.1545 0.3462 0.056 Uiso 1 1 calc GR . . . .
C102 C 0.90939(16) 0.35967(15) 0.35179(11) 0.0368(5) Uani 1 1 d . . . . .
H10D H 0.9576 0.3158 0.3254 0.055 Uiso 1 1 calc GR . . . .
H10E H 0.9453 0.3650 0.4040 0.055 Uiso 1 1 calc GR . . . .
H10F H 0.9071 0.4234 0.3284 0.055 Uiso 1 1 calc GR . . . .
C103 C 0.69944(18) 0.37286(15) 0.42366(10) 0.0381(5) Uani 1 1 d . . . . .
H10G H 0.6940 0.4422 0.4138 0.057 Uiso 1 1 calc GR . . . .
H10H H 0.7535 0.3613 0.4699 0.057 Uiso 1 1 calc GR . . . .
H10I H 0.6195 0.3476 0.4287 0.057 Uiso 1 1 calc GR . . . .
C201 C 0.41252(19) 0.48294(16) 0.33442(13) 0.0475(5) Uani 1 1 d . . . . .
H20A H 0.4187 0.4358 0.3750 0.071 Uiso 1 1 calc GR . . . .
H20B H 0.3614 0.5366 0.3459 0.071 Uiso 1 1 calc GR . . . .
H20C H 0.4927 0.5072 0.3288 0.071 Uiso 1 1 calc GR . . . .
C202 C 0.3277(3) 0.51887(19) 0.18077(15) 0.0869(11) Uani 1 1 d . . . . .
H20D H 0.4055 0.5481 0.1754 0.130 Uiso 1 1 calc GR . . . .
H20E H 0.2736 0.5683 0.1959 0.130 Uiso 1 1 calc GR . . . .
H20F H 0.2928 0.4910 0.1331 0.130 Uiso 1 1 calc GR . . . .
C203 C 0.20210(18) 0.3865(2) 0.26811(16) 0.0651(8) Uani 1 1 d . . . . .
H20G H 0.1606 0.3544 0.2238 0.098 Uiso 1 1 calc GR . . . .
H20H H 0.1549 0.4421 0.2806 0.098 Uiso 1 1 calc GR . . . .
H20I H 0.2116 0.3412 0.3100 0.098 Uiso 1 1 calc GR . . . .
C1' C 0.72985(14) 0.26454(12) 0.09337(9) 0.0243(3) Uani 1 1 d . . . . .
C2' C 0.78913(16) 0.37441(14) 0.09228(10) 0.0303(4) Uani 1 1 d . . . . .
H2' H 0.7478(17) 0.4227(14) 0.1172(11) 0.036 Uiso 1 1 d R . . . .
B3' B 0.86418(18) 0.29008(16) 0.14900(12) 0.0303(4) Uani 1 1 d . . . . .
H3' H 0.8614(17) 0.2959(14) 0.2051(11) 0.036 Uiso 1 1 d R . . . .
B4' B 0.84215(19) 0.18150(16) 0.09791(13) 0.0323(5) Uani 1 1 d . . . . .
H4' H 0.8327(17) 0.1198(15) 0.1286(11) 0.039 Uiso 1 1 d R . . . .
B5' B 0.7509(2) 0.20642(17) 0.01224(12) 0.0358(5) Uani 1 1 d . . . . .
H5' H 0.6803(19) 0.1549(14) -0.0119(12) 0.043 Uiso 1 1 d R . . . .
B6' B 0.7131(2) 0.33072(17) 0.01089(12) 0.0360(5) Uani 1 1 d . . . . .
H6' H 0.6258(18) 0.3637(15) -0.0075(11) 0.043 Uiso 1 1 d R . . . .
B7' B 0.9411(2) 0.37278(18) 0.09794(13) 0.0373(5) Uani 1 1 d . . . . .
H7' H 0.9924(18) 0.4298(15) 0.1325(12) 0.045 Uiso 1 1 d R . . . .
B8' B 0.9783(2) 0.24894(17) 0.10008(14) 0.0373(5) Uani 1 1 d . . . . .
H8' H 1.0571(18) 0.2255(15) 0.1307(11) 0.045 Uiso 1 1 d R . . . .
B9' B 0.9080(2) 0.19727(19) 0.01493(14) 0.0418(6) Uani 1 1 d . . . . .
H9' H 0.9411(19) 0.1357(16) -0.0071(12) 0.050 Uiso 1 1 d R . . . .
B10' B 0.8278(2) 0.2890(2) -0.03853(13) 0.0452(6) Uani 1 1 d . . . . .
H10' H 0.815(2) 0.2901(15) -0.0967(13) 0.054 Uiso 1 1 d R . . . .
B11' B 0.8488(2) 0.39741(19) 0.01330(14) 0.0414(6) Uani 1 1 d . . . . .
H11' H 0.8451(18) 0.4724(15) -0.0076(12) 0.050 Uiso 1 1 d R . . . .
B12' B 0.9695(2) 0.31499(19) 0.01526(15) 0.0442(6) Uani 1 1 d . . . . .
H12' H 1.046(2) 0.3373(15) -0.0082(13) 0.053 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.590(2) . ?
C1 Ni3 2.3106(16) . ?
C1 B4 1.690(3) . ?
C1 B5 1.697(2) . ?
C1 B6 1.718(3) . ?
C1 C1' 1.526(2) . ?
Cl1 Ni3 2.1929(5) . ?
P1 Ni3 2.2105(5) . ?
P1 C101 1.8152(18) . ?
P1 C102 1.8231(18) . ?
P1 C103 1.8079(19) . ?
C2 H2 0.961(18) . ?
C2 Ni3 2.0413(16) . ?
C2 B6 1.777(3) . ?
C2 B7 1.794(3) . ?
C2 B11 1.705(3) . ?
P2 B8 1.907(2) . ?
P2 C201 1.788(2) . ?
P2 C202 1.782(2) . ?
P2 C203 1.806(2) . ?
Ni3 B4 2.1802(18) . ?
Ni3 B7 2.0429(19) . ?
Ni3 B8 2.1670(19) . ?
B4 H4 1.069(18) . ?
B4 B5 1.824(3) . ?
B4 B8 1.784(3) . ?
B4 B9 1.822(3) . ?
B5 H5 1.040(19) . ?
B5 B6 1.750(3) . ?
B5 B9 1.760(3) . ?
B5 B10 1.761(3) . ?
B6 H6 1.048(18) . ?
B6 B10 1.750(3) . ?
B6 B11 1.778(3) . ?
B7 H7 1.041(18) . ?
B7 B8 1.748(3) . ?
B7 B11 1.779(3) . ?
B7 B12 1.785(3) . ?
B8 B9 1.767(3) . ?
B8 B12 1.775(3) . ?
B9 H9 1.095(19) . ?
B9 B10 1.788(3) . ?
B9 B12 1.763(3) . ?
B10 H10 1.122(19) . ?
B10 B11 1.798(3) . ?
B10 B12 1.763(3) . ?
B11 H11 1.049(19) . ?
B11 B12 1.786(3) . ?
B12 H12 1.05(2) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?
C203 H20G 0.9800 . ?
C203 H20H 0.9800 . ?
C203 H20I 0.9800 . ?
C1' C2' 1.666(2) . ?
C1' B3' 1.737(3) . ?
C1' B4' 1.703(3) . ?
C1' B5' 1.720(3) . ?
C1' B6' 1.743(3) . ?
C2' H2' 0.96(2) . ?
C2' B3' 1.705(3) . ?
C2' B6' 1.713(3) . ?
C2' B7' 1.698(3) . ?
C2' B11' 1.690(3) . ?
B3' H3' 1.02(2) . ?
B3' B4' 1.769(3) . ?
B3' B7' 1.771(3) . ?
B3' B8' 1.749(3) . ?
B4' H4' 1.03(2) . ?
B4' B5' 1.776(3) . ?
B4' B8' 1.790(3) . ?
B4' B9' 1.775(3) . ?
B5' H5' 1.11(2) . ?
B5' B6' 1.776(3) . ?
B5' B9' 1.764(3) . ?
B5' B10' 1.766(3) . ?
B6' H6' 1.09(2) . ?
B6' B10' 1.762(4) . ?
B6' B11' 1.780(3) . ?
B7' H7' 1.12(2) . ?
B7' B8' 1.768(3) . ?
B7' B11' 1.766(3) . ?
B7' B12' 1.765(4) . ?
B8' H8' 1.03(2) . ?
B8' B9' 1.787(3) . ?
B8' B12' 1.781(4) . ?
B9' H9' 1.03(2) . ?
B9' B10' 1.772(4) . ?
B9' B12' 1.774(4) . ?
B10' H10' 1.04(2) . ?
B10' B11' 1.773(4) . ?
B10' B12' 1.790(4) . ?
B11' H11' 1.11(2) . ?
B11' B12' 1.771(4) . ?
B12' H12' 1.06(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ni3 59.76(8) . . ?
C2 C1 B4 105.47(13) . . ?
C2 C1 B5 111.48(14) . . ?
C2 C1 B6 64.87(11) . . ?
B4 C1 Ni3 63.85(8) . . ?
B4 C1 B5 65.16(11) . . ?
B4 C1 B6 114.75(14) . . ?
B5 C1 Ni3 121.83(11) . . ?
B5 C1 B6 61.65(11) . . ?
B6 C1 Ni3 120.33(11) . . ?
C1' C1 C2 121.29(13) . . ?
C1' C1 Ni3 112.02(10) . . ?
C1' C1 B4 122.50(14) . . ?
C1' C1 B5 117.93(14) . . ?
C1' C1 B6 114.36(14) . . ?
C101 P1 Ni3 117.65(6) . . ?
C101 P1 C102 102.32(9) . . ?
C102 P1 Ni3 118.25(6) . . ?
C103 P1 Ni3 109.78(7) . . ?
C103 P1 C101 103.62(10) . . ?
C103 P1 C102 103.38(10) . . ?
C1 C2 H2 116.8(11) . . ?
C1 C2 Ni3 77.95(9) . . ?
C1 C2 B6 61.06(11) . . ?
C1 C2 B7 115.20(13) . . ?
C1 C2 B11 111.45(13) . . ?
Ni3 C2 H2 107.3(10) . . ?
B6 C2 H2 110.4(11) . . ?
B6 C2 Ni3 133.29(11) . . ?
B6 C2 B7 112.91(13) . . ?
B7 C2 H2 123.5(11) . . ?
B7 C2 Ni3 64.00(8) . . ?
B11 C2 H2 115.7(10) . . ?
B11 C2 Ni3 122.54(12) . . ?
B11 C2 B6 61.36(11) . . ?
B11 C2 B7 61.05(11) . . ?
C201 P2 B8 115.52(10) . . ?
C201 P2 C203 104.46(12) . . ?
C202 P2 B8 109.57(11) . . ?
C202 P2 C201 106.69(13) . . ?
C202 P2 C203 108.40(15) . . ?
C203 P2 B8 111.83(11) . . ?
Cl1 Ni3 C1 117.05(4) . . ?
Cl1 Ni3 P1 89.852(18) . . ?
P1 Ni3 C1 129.79(4) . . ?
C2 Ni3 C1 42.29(6) . . ?
C2 Ni3 Cl1 155.92(5) . . ?
C2 Ni3 P1 97.83(5) . . ?
C2 Ni3 B4 76.33(7) . . ?
C2 Ni3 B7 52.10(7) . . ?
C2 Ni3 B8 81.84(7) . . ?
B4 Ni3 C1 44.09(7) . . ?
B4 Ni3 Cl1 94.69(5) . . ?
B4 Ni3 P1 173.77(5) . . ?
B7 Ni3 C1 81.84(7) . . ?
B7 Ni3 Cl1 150.22(6) . . ?
B7 Ni3 P1 94.75(6) . . ?
B7 Ni3 B4 83.41(8) . . ?
B7 Ni3 B8 48.94(7) . . ?
B8 Ni3 C1 79.19(7) . . ?
B8 Ni3 Cl1 109.12(5) . . ?
B8 Ni3 P1 133.60(6) . . ?
B8 Ni3 B4 48.45(8) . . ?
C1 B4 Ni3 72.05(8) . . ?
C1 B4 H4 118.3(10) . . ?
C1 B4 B5 57.60(10) . . ?
C1 B4 B8 110.58(13) . . ?
C1 B4 B9 104.18(14) . . ?
Ni3 B4 H4 112.4(10) . . ?
B5 B4 Ni3 122.51(11) . . ?
B5 B4 H4 114.6(10) . . ?
B8 B4 Ni3 65.39(9) . . ?
B8 B4 H4 127.6(10) . . ?
B8 B4 B5 106.62(14) . . ?
B8 B4 B9 58.68(11) . . ?
B9 B4 Ni3 118.07(12) . . ?
B9 B4 H4 121.4(10) . . ?
B9 B4 B5 57.72(12) . . ?
C1 B5 B4 57.24(10) . . ?
C1 B5 H5 116.6(10) . . ?
C1 B5 B6 59.78(11) . . ?
C1 B5 B9 106.63(14) . . ?
C1 B5 B10 106.15(14) . . ?
B4 B5 H5 120.6(11) . . ?
B6 B5 B4 106.87(13) . . ?
B6 B5 H5 118.1(11) . . ?
B6 B5 B9 109.37(15) . . ?
B6 B5 B10 59.78(12) . . ?
B9 B5 B4 61.09(12) . . ?
B9 B5 H5 127.0(10) . . ?
B9 B5 B10 61.03(13) . . ?
B10 B5 B4 108.17(15) . . ?
B10 B5 H5 127.0(11) . . ?
C1 B6 C2 54.07(9) . . ?
C1 B6 B5 58.57(11) . . ?
C1 B6 H6 120.0(10) . . ?
C1 B6 B10 105.72(15) . . ?
C1 B6 B11 102.32(14) . . ?
C2 B6 H6 119.1(10) . . ?
C2 B6 B11 57.32(10) . . ?
B5 B6 C2 100.75(14) . . ?
B5 B6 H6 127.9(10) . . ?
B5 B6 B11 107.11(15) . . ?
B10 B6 C2 103.96(14) . . ?
B10 B6 B5 60.43(12) . . ?
B10 B6 H6 129.5(10) . . ?
B10 B6 B11 61.28(12) . . ?
B11 B6 H6 122.0(10) . . ?
C2 B7 Ni3 63.90(8) . . ?
C2 B7 H7 120.7(10) . . ?
Ni3 B7 H7 113.1(10) . . ?
B8 B7 C2 102.31(13) . . ?
B8 B7 Ni3 69.24(9) . . ?
B8 B7 H7 133.5(10) . . ?
B8 B7 B11 107.69(14) . . ?
B8 B7 B12 60.31(12) . . ?
B11 B7 C2 57.02(11) . . ?
B11 B7 Ni3 118.63(13) . . ?
B11 B7 H7 109.9(10) . . ?
B11 B7 B12 60.15(12) . . ?
B12 B7 C2 102.43(14) . . ?
B12 B7 Ni3 123.27(13) . . ?
B12 B7 H7 119.8(10) . . ?
P2 B8 Ni3 116.23(10) . . ?
B4 B8 P2 120.28(13) . . ?
B4 B8 Ni3 66.16(9) . . ?
B7 B8 P2 128.85(14) . . ?
B7 B8 Ni3 61.82(9) . . ?
B7 B8 B4 105.53(14) . . ?
B7 B8 B9 108.85(14) . . ?
B7 B8 B12 60.89(11) . . ?
B9 B8 P2 111.98(12) . . ?
B9 B8 Ni3 121.42(13) . . ?
B9 B8 B4 61.74(12) . . ?
B9 B8 B12 59.70(12) . . ?
B12 B8 P2 118.52(13) . . ?
B12 B8 Ni3 117.19(12) . . ?
B12 B8 B4 107.54(14) . . ?
B4 B9 H9 121.1(10) . . ?
B5 B9 B4 61.19(12) . . ?
B5 B9 B8 110.21(14) . . ?
B5 B9 H9 121.7(11) . . ?
B5 B9 B10 59.52(12) . . ?
B5 B9 B12 107.82(15) . . ?
B8 B9 B4 59.58(11) . . ?
B8 B9 H9 118.6(10) . . ?
B8 B9 B10 108.74(14) . . ?
B10 B9 B4 107.10(14) . . ?
B10 B9 H9 124.2(10) . . ?
B12 B9 B4 106.38(14) . . ?
B12 B9 B8 60.37(12) . . ?
B12 B9 H9 122.7(11) . . ?
B12 B9 B10 59.54(12) . . ?
B5 B10 B9 59.45(13) . . ?
B5 B10 H10 121.8(10) . . ?
B5 B10 B11 105.76(14) . . ?
B5 B10 B12 107.75(15) . . ?
B6 B10 B5 59.79(12) . . ?
B6 B10 B9 108.10(15) . . ?
B6 B10 H10 119.2(10) . . ?
B6 B10 B11 60.14(12) . . ?
B6 B10 B12 110.12(14) . . ?
B9 B10 H10 123.4(10) . . ?
B9 B10 B11 105.78(14) . . ?
B11 B10 H10 123.4(10) . . ?
B12 B10 B9 59.53(13) . . ?
B12 B10 H10 122.2(10) . . ?
B12 B10 B11 60.18(12) . . ?
C2 B11 B6 61.32(11) . . ?
C2 B11 B7 61.93(11) . . ?
C2 B11 B10 104.94(14) . . ?
C2 B11 H11 121.3(10) . . ?
C2 B11 B12 106.06(14) . . ?
B6 B11 B7 113.61(14) . . ?
B6 B11 B10 58.58(12) . . ?
B6 B11 H11 118.2(10) . . ?
B6 B11 B12 107.81(15) . . ?
B7 B11 B10 108.72(14) . . ?
B7 B11 H11 119.0(10) . . ?
B7 B11 B12 60.10(11) . . ?
B10 B11 H11 124.4(10) . . ?
B12 B11 B10 58.94(12) . . ?
B12 B11 H11 124.9(10) . . ?
B7 B12 B11 59.75(11) . . ?
B7 B12 H12 120.1(11) . . ?
B8 B12 B7 58.80(11) . . ?
B8 B12 B11 106.19(14) . . ?
B8 B12 H12 119.1(10) . . ?
B9 B12 B7 107.36(14) . . ?
B9 B12 B8 59.93(12) . . ?
B9 B12 B10 60.93(13) . . ?
B9 B12 B11 107.37(15) . . ?
B9 B12 H12 121.5(11) . . ?
B10 B12 B7 110.02(15) . . ?
B10 B12 B8 109.51(16) . . ?
B10 B12 B11 60.88(12) . . ?
B10 B12 H12 122.6(11) . . ?
B11 B12 H12 124.8(10) . . ?
P1 C101 H10A 109.5 . . ?
P1 C101 H10B 109.5 . . ?
P1 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
P1 C102 H10D 109.5 . . ?
P1 C102 H10E 109.5 . . ?
P1 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
P1 C103 H10G 109.5 . . ?
P1 C103 H10H 109.5 . . ?
P1 C103 H10I 109.5 . . ?
H10G C103 H10H 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
P2 C201 H20A 109.5 . . ?
P2 C201 H20B 109.5 . . ?
P2 C201 H20C 109.5 . . ?
H20A C201 H20B 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
P2 C202 H20D 109.5 . . ?
P2 C202 H20E 109.5 . . ?
P2 C202 H20F 109.5 . . ?
H20D C202 H20E 109.5 . . ?
H20D C202 H20F 109.5 . . ?
H20E C202 H20F 109.5 . . ?
P2 C203 H20G 109.5 . . ?
P2 C203 H20H 109.5 . . ?
P2 C203 H20I 109.5 . . ?
H20G C203 H20H 109.5 . . ?
H20G C203 H20I 109.5 . . ?
H20H C203 H20I 109.5 . . ?
C1 C1' C2' 117.94(14) . . ?
C1 C1' B3' 117.58(13) . . ?
C1 C1' B4' 123.17(14) . . ?
C1 C1' B5' 123.42(14) . . ?
C1 C1' B6' 116.97(14) . . ?
C2' C1' B3' 60.11(11) . . ?
C2' C1' B4' 108.97(14) . . ?
C2' C1' B5' 108.56(14) . . ?
C2' C1' B6' 60.31(11) . . ?
B3' C1' B6' 112.09(14) . . ?
B4' C1' B3' 61.88(12) . . ?
B4' C1' B5' 62.50(12) . . ?
B4' C1' B6' 113.12(15) . . ?
B5' C1' B3' 112.54(14) . . ?
B5' C1' B6' 61.72(12) . . ?
C1' C2' H2' 114.4(12) . . ?
C1' C2' B3' 62.02(11) . . ?
C1' C2' B6' 62.07(11) . . ?
C1' C2' B7' 112.84(15) . . ?
C1' C2' B11' 112.82(15) . . ?
B3' C2' H2' 115.2(12) . . ?
B3' C2' B6' 115.19(15) . . ?
B6' C2' H2' 115.7(12) . . ?
B7' C2' H2' 121.8(12) . . ?
B7' C2' B3' 62.71(13) . . ?
B7' C2' B6' 115.44(16) . . ?
B11' C2' H2' 122.5(12) . . ?
B11' C2' B3' 114.81(16) . . ?
B11' C2' B6' 63.07(13) . . ?
B11' C2' B7' 62.85(13) . . ?
C1' B3' H3' 116.9(11) . . ?
C1' B3' B4' 58.14(11) . . ?
C1' B3' B7' 106.06(15) . . ?
C1' B3' B8' 106.20(15) . . ?
C2' B3' C1' 57.88(11) . . ?
C2' B3' H3' 117.8(11) . . ?
C2' B3' B4' 104.25(15) . . ?
C2' B3' B7' 58.46(12) . . ?
C2' B3' B8' 104.84(16) . . ?
B4' B3' H3' 124.4(11) . . ?
B4' B3' B7' 108.85(16) . . ?
B7' B3' H3' 123.3(11) . . ?
B8' B3' H3' 130.5(11) . . ?
B8' B3' B4' 61.16(13) . . ?
B8' B3' B7' 60.31(13) . . ?
C1' B4' B3' 59.99(11) . . ?
C1' B4' H4' 117.3(11) . . ?
C1' B4' B5' 59.22(11) . . ?
C1' B4' B8' 105.85(15) . . ?
C1' B4' B9' 105.40(16) . . ?
B3' B4' H4' 116.2(11) . . ?
B3' B4' B5' 108.39(15) . . ?
B3' B4' B8' 58.88(13) . . ?
B3' B4' B9' 107.04(16) . . ?
B5' B4' H4' 122.8(11) . . ?
B5' B4' B8' 108.04(16) . . ?
B8' B4' H4' 124.7(11) . . ?
B9' B4' H4' 129.9(11) . . ?
B9' B4' B5' 59.56(13) . . ?
B9' B4' B8' 60.17(13) . . ?
C1' B5' B4' 58.28(11) . . ?
C1' B5' H5' 117.6(11) . . ?
C1' B5' B6' 59.76(12) . . ?
C1' B5' B9' 105.16(15) . . ?
C1' B5' B10' 105.86(16) . . ?
B4' B5' H5' 121.0(11) . . ?
B4' B5' B6' 108.08(15) . . ?
B6' B5' H5' 117.5(10) . . ?
B9' B5' B4' 60.19(14) . . ?
B9' B5' H5' 128.5(11) . . ?
B9' B5' B6' 107.88(17) . . ?
B9' B5' B10' 60.26(15) . . ?
B10' B5' B4' 108.42(16) . . ?
B10' B5' H5' 125.9(11) . . ?
B10' B5' B6' 59.67(14) . . ?
C1' B6' B5' 58.53(11) . . ?
C1' B6' H6' 118.1(11) . . ?
C1' B6' B10' 105.05(16) . . ?
C1' B6' B11' 105.01(15) . . ?
C2' B6' C1' 57.61(11) . . ?
C2' B6' B5' 103.94(15) . . ?
C2' B6' H6' 116.0(11) . . ?
C2' B6' B10' 103.82(17) . . ?
C2' B6' B11' 57.82(12) . . ?
B5' B6' H6' 127.8(11) . . ?
B5' B6' B11' 107.59(18) . . ?
B10' B6' B5' 59.87(14) . . ?
B10' B6' H6' 132.0(11) . . ?
B10' B6' B11' 60.06(14) . . ?
B11' B6' H6' 121.4(11) . . ?
C2' B7' B3' 58.83(12) . . ?
C2' B7' H7' 117.5(10) . . ?
C2' B7' B8' 104.30(15) . . ?
C2' B7' B11' 58.34(12) . . ?
C2' B7' B12' 104.40(16) . . ?
B3' B7' H7' 114.6(11) . . ?
B8' B7' B3' 59.25(13) . . ?
B8' B7' H7' 124.9(11) . . ?
B11' B7' B3' 107.91(15) . . ?
B11' B7' H7' 123.2(11) . . ?
B11' B7' B8' 108.47(17) . . ?
B12' B7' B3' 107.74(17) . . ?
B12' B7' H7' 131.2(11) . . ?
B12' B7' B8' 60.52(14) . . ?
B12' B7' B11' 60.20(15) . . ?
B3' B8' B4' 59.95(12) . . ?
B3' B8' B7' 60.44(13) . . ?
B3' B8' H8' 117.7(12) . . ?
B3' B8' B9' 107.36(16) . . ?
B3' B8' B12' 107.99(17) . . ?
B4' B8' H8' 121.1(12) . . ?
B7' B8' B4' 108.01(16) . . ?
B7' B8' H8' 120.1(12) . . ?
B7' B8' B9' 107.17(17) . . ?
B7' B8' B12' 59.65(14) . . ?
B9' B8' B4' 59.50(13) . . ?
B9' B8' H8' 125.9(12) . . ?
B12' B8' B4' 107.53(17) . . ?
B12' B8' H8' 124.8(12) . . ?
B12' B8' B9' 59.64(14) . . ?
B4' B9' B8' 60.33(13) . . ?
B4' B9' H9' 116.0(12) . . ?
B5' B9' B4' 60.25(13) . . ?
B5' B9' B8' 108.72(16) . . ?
B5' B9' H9' 117.4(12) . . ?
B5' B9' B10' 59.93(14) . . ?
B5' B9' B12' 108.78(18) . . ?
B8' B9' H9' 121.7(12) . . ?
B10' B9' B4' 108.21(17) . . ?
B10' B9' B8' 108.53(18) . . ?
B10' B9' H9' 124.5(12) . . ?
B10' B9' B12' 60.63(15) . . ?
B12' B9' B4' 108.48(17) . . ?
B12' B9' B8' 60.00(14) . . ?
B12' B9' H9' 127.0(12) . . ?
B5' B10' B9' 59.82(14) . . ?
B5' B10' H10' 121.6(12) . . ?
B5' B10' B11' 108.37(17) . . ?
B5' B10' B12' 107.99(18) . . ?
B6' B10' B5' 60.46(13) . . ?
B6' B10' B9' 108.16(17) . . ?
B6' B10' H10' 119.7(13) . . ?
B6' B10' B11' 60.46(14) . . ?
B6' B10' B12' 108.37(17) . . ?
B9' B10' H10' 123.6(12) . . ?
B9' B10' B11' 107.35(18) . . ?
B9' B10' B12' 59.75(15) . . ?
B11' B10' H10' 120.8(12) . . ?
B11' B10' B12' 59.61(14) . . ?
B12' B10' H10' 122.6(12) . . ?
C2' B11' B6' 59.11(12) . . ?
C2' B11' B7' 58.81(12) . . ?
C2' B11' B10' 104.36(16) . . ?
C2' B11' H11' 117.8(11) . . ?
C2' B11' B12' 104.50(17) . . ?
B6' B11' H11' 119.2(11) . . ?
B7' B11' B6' 108.84(16) . . ?
B7' B11' B10' 108.48(18) . . ?
B7' B11' H11' 118.1(11) . . ?
B7' B11' B12' 59.87(14) . . ?
B10' B11' B6' 59.47(14) . . ?
B10' B11' H11' 128.4(11) . . ?
B12' B11' B6' 108.42(18) . . ?
B12' B11' B10' 60.67(15) . . ?
B12' B11' H11' 127.5(11) . . ?
B7' B12' B8' 59.83(14) . . ?
B7' B12' B9' 107.88(17) . . ?
B7' B12' B10' 107.79(18) . . ?
B7' B12' B11' 59.94(14) . . ?
B7' B12' H12' 117.2(12) . . ?
B8' B12' B10' 108.01(17) . . ?
B8' B12' H12' 122.9(12) . . ?
B9' B12' B8' 60.36(14) . . ?
B9' B12' B10' 59.62(15) . . ?
B9' B12' H12' 127.3(12) . . ?
B10' B12' H12' 123.7(12) . . ?
B11' B12' B8' 107.72(17) . . ?
B11' B12' B9' 107.33(18) . . ?
B11' B12' B10' 59.72(15) . . ?
B11' B12' H12' 117.8(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B6 B5 -37.53(13) . . . . ?
C1 C2 B6 B10 -99.47(15) . . . . ?
C1 C2 B6 B11 -141.07(14) . . . . ?
C1 C2 B7 Ni3 -60.90(11) . . . . ?
C1 C2 B7 B8 -1.63(17) . . . . ?
C1 C2 B7 B11 101.62(15) . . . . ?
C1 C2 B7 B12 60.27(17) . . . . ?
C1 C2 B11 B6 36.22(14) . . . . ?
C1 C2 B11 B7 -107.79(14) . . . . ?
C1 C2 B11 B10 -4.24(18) . . . . ?
C1 C2 B11 B12 -65.63(17) . . . . ?
C1 B4 B5 B6 34.87(13) . . . . ?
C1 B4 B5 B9 138.07(15) . . . . ?
C1 B4 B5 B10 97.87(15) . . . . ?
C1 B4 B8 P2 165.28(12) . . . . ?
C1 B4 B8 Ni3 57.73(11) . . . . ?
C1 B4 B8 B7 8.92(18) . . . . ?
C1 B4 B8 B9 -94.46(15) . . . . ?
C1 B4 B8 B12 -54.87(17) . . . . ?
C1 B4 B9 B5 -35.58(13) . . . . ?
C1 B4 B9 B8 105.70(14) . . . . ?
C1 B4 B9 B10 3.63(18) . . . . ?
C1 B4 B9 B12 66.09(17) . . . . ?
C1 B5 B6 C2 35.32(12) . . . . ?
C1 B5 B6 B10 135.38(15) . . . . ?
C1 B5 B6 B11 94.21(14) . . . . ?
C1 B5 B9 B4 35.91(13) . . . . ?
C1 B5 B9 B8 0.8(2) . . . . ?
C1 B5 B9 B10 -99.58(15) . . . . ?
C1 B5 B9 B12 -63.38(18) . . . . ?
C1 B5 B10 B6 -39.19(13) . . . . ?
C1 B5 B10 B9 100.38(15) . . . . ?
C1 B5 B10 B11 1.08(19) . . . . ?
C1 B5 B10 B12 64.20(18) . . . . ?
C1 B6 B10 B5 38.51(13) . . . . ?
C1 B6 B10 B9 2.53(19) . . . . ?
C1 B6 B10 B11 -95.65(14) . . . . ?
C1 B6 B10 B12 -60.83(18) . . . . ?
C1 B6 B11 C2 -31.39(11) . . . . ?
C1 B6 B11 B7 3.08(18) . . . . ?
C1 B6 B11 B10 101.34(15) . . . . ?
C1 B6 B11 B12 67.56(16) . . . . ?
C1 C1' C2' B3' 107.43(16) . . . . ?
C1 C1' C2' B6' -106.77(16) . . . . ?
C1 C1' C2' B7' 145.51(15) . . . . ?
C1 C1' C2' B11' -145.59(16) . . . . ?
C1 C1' B3' C2' -108.03(16) . . . . ?
C1 C1' B3' B4' 114.88(17) . . . . ?
C1 C1' B3' B7' -142.59(16) . . . . ?
C1 C1' B3' B8' 154.36(15) . . . . ?
C1 C1' B4' B3' -106.13(17) . . . . ?
C1 C1' B4' B5' 113.68(17) . . . . ?
C1 C1' B4' B8' -144.46(16) . . . . ?
C1 C1' B4' B9' 152.81(15) . . . . ?
C1 C1' B5' B4' -113.30(18) . . . . ?
C1 C1' B5' B6' 105.19(17) . . . . ?
C1 C1' B5' B9' -152.68(16) . . . . ?
C1 C1' B5' B10' 144.54(17) . . . . ?
C1 C1' B6' C2' 108.37(16) . . . . ?
C1 C1' B6' B5' -115.34(17) . . . . ?
C1 C1' B6' B10' -154.61(15) . . . . ?
C1 C1' B6' B11' 142.97(16) . . . . ?
C2 C1 B4 Ni3 44.11(10) . . . . ?
C2 C1 B4 B5 -106.89(14) . . . . ?
C2 C1 B4 B8 -9.79(17) . . . . ?
C2 C1 B4 B9 -71.25(15) . . . . ?
C2 C1 B5 B4 97.69(15) . . . . ?
C2 C1 B5 B6 -43.03(14) . . . . ?
C2 C1 B5 B9 60.07(18) . . . . ?
C2 C1 B5 B10 -3.84(19) . . . . ?
C2 C1 B6 B5 135.46(15) . . . . ?
C2 C1 B6 B10 96.06(15) . . . . ?
C2 C1 B6 B11 32.77(12) . . . . ?
C2 C1 C1' C2' -109.72(16) . . . . ?
C2 C1 C1' B3' -40.8(2) . . . . ?
C2 C1 C1' B4' 32.1(2) . . . . ?
C2 C1 C1' B5' 108.85(18) . . . . ?
C2 C1 C1' B6' -178.68(14) . . . . ?
C2 B6 B10 B5 94.58(14) . . . . ?
C2 B6 B10 B9 58.60(17) . . . . ?
C2 B6 B10 B11 -39.58(12) . . . . ?
C2 B6 B10 B12 -4.76(19) . . . . ?
C2 B6 B11 B7 34.47(13) . . . . ?
C2 B6 B11 B10 132.72(15) . . . . ?
C2 B6 B11 B12 98.94(15) . . . . ?
C2 B7 B8 P2 -157.91(13) . . . . ?
C2 B7 B8 Ni3 -55.65(9) . . . . ?
C2 B7 B8 B4 -4.31(16) . . . . ?
C2 B7 B8 B9 60.58(16) . . . . ?
C2 B7 B8 B12 97.42(14) . . . . ?
C2 B7 B11 B6 -34.24(13) . . . . ?
C2 B7 B11 B10 -97.34(15) . . . . ?
C2 B7 B11 B12 -131.93(15) . . . . ?
C2 B7 B12 B8 -97.22(14) . . . . ?
C2 B7 B12 B9 -60.64(17) . . . . ?
C2 B7 B12 B10 4.03(18) . . . . ?
C2 B7 B12 B11 39.72(12) . . . . ?
C2 B11 B12 B7 -43.09(13) . . . . ?
C2 B11 B12 B8 -5.63(18) . . . . ?
C2 B11 B12 B9 57.25(17) . . . . ?
C2 B11 B12 B10 98.04(15) . . . . ?
P2 B8 B9 B4 113.60(14) . . . . ?
P2 B8 B9 B5 149.33(13) . . . . ?
P2 B8 B9 B10 -147.14(13) . . . . ?
P2 B8 B9 B12 -111.13(14) . . . . ?
P2 B8 B12 B7 -120.96(16) . . . . ?
P2 B8 B12 B9 100.12(15) . . . . ?
P2 B8 B12 B10 136.92(14) . . . . ?
P2 B8 B12 B11 -158.85(13) . . . . ?
Ni3 C1 C2 B6 156.81(11) . . . . ?
Ni3 C1 C2 B7 53.42(11) . . . . ?
Ni3 C1 C2 B11 120.47(13) . . . . ?
Ni3 C1 B4 B5 -151.00(12) . . . . ?
Ni3 C1 B4 B8 -53.90(11) . . . . ?
Ni3 C1 B4 B9 -115.36(13) . . . . ?
Ni3 C1 B5 B4 30.81(12) . . . . ?
Ni3 C1 B5 B6 -109.91(14) . . . . ?
Ni3 C1 B5 B9 -6.81(19) . . . . ?
Ni3 C1 B5 B10 -70.72(17) . . . . ?
Ni3 C1 B6 C2 -23.22(11) . . . . ?
Ni3 C1 B6 B5 112.24(14) . . . . ?
Ni3 C1 B6 B10 72.85(15) . . . . ?
Ni3 C1 B6 B11 9.56(17) . . . . ?
Ni3 C1 C1' C2' -42.67(16) . . . . ?
Ni3 C1 C1' B3' 26.27(17) . . . . ?
Ni3 C1 C1' B4' 99.18(16) . . . . ?
Ni3 C1 C1' B5' 175.91(13) . . . . ?
Ni3 C1 C1' B6' -111.62(13) . . . . ?
Ni3 C2 B6 C1 31.95(15) . . . . ?
Ni3 C2 B6 B5 -5.6(2) . . . . ?
Ni3 C2 B6 B10 -67.53(19) . . . . ?
Ni3 C2 B6 B11 -109.12(17) . . . . ?
Ni3 C2 B7 B8 59.28(10) . . . . ?
Ni3 C2 B7 B11 162.53(12) . . . . ?
Ni3 C2 B7 B12 121.17(13) . . . . ?
Ni3 C2 B11 B6 125.34(14) . . . . ?
Ni3 C2 B11 B7 -18.67(13) . . . . ?
Ni3 C2 B11 B10 84.88(16) . . . . ?
Ni3 C2 B11 B12 23.49(18) . . . . ?
Ni3 B4 B5 C1 -33.15(13) . . . . ?
Ni3 B4 B5 B6 1.7(2) . . . . ?
Ni3 B4 B5 B9 104.92(15) . . . . ?
Ni3 B4 B5 B10 64.71(18) . . . . ?
Ni3 B4 B8 P2 107.55(12) . . . . ?
Ni3 B4 B8 B7 -48.81(10) . . . . ?
Ni3 B4 B8 B9 -152.19(12) . . . . ?
Ni3 B4 B8 B12 -112.60(12) . . . . ?
Ni3 B4 B9 B5 -112.55(14) . . . . ?
Ni3 B4 B9 B8 28.73(12) . . . . ?
Ni3 B4 B9 B10 -73.34(17) . . . . ?
Ni3 B4 B9 B12 -10.88(19) . . . . ?
Ni3 B7 B8 P2 -102.26(15) . . . . ?
Ni3 B7 B8 B4 51.34(11) . . . . ?
Ni3 B7 B8 B9 116.23(14) . . . . ?
Ni3 B7 B8 B12 153.07(13) . . . . ?
Ni3 B7 B11 C2 17.89(12) . . . . ?
Ni3 B7 B11 B6 -16.35(19) . . . . ?
Ni3 B7 B11 B10 -79.45(16) . . . . ?
Ni3 B7 B11 B12 -114.04(15) . . . . ?
Ni3 B7 B12 B8 -30.43(14) . . . . ?
Ni3 B7 B12 B9 6.2(2) . . . . ?
Ni3 B7 B12 B10 70.81(19) . . . . ?
Ni3 B7 B12 B11 106.51(16) . . . . ?
Ni3 B8 B9 B4 -30.01(13) . . . . ?
Ni3 B8 B9 B5 5.7(2) . . . . ?
Ni3 B8 B9 B10 69.25(18) . . . . ?
Ni3 B8 B9 B12 105.26(15) . . . . ?
Ni3 B8 B12 B7 26.67(13) . . . . ?
Ni3 B8 B12 B9 -112.25(15) . . . . ?
Ni3 B8 B12 B10 -75.45(17) . . . . ?
Ni3 B8 B12 B11 -11.22(19) . . . . ?
B4 C1 C2 Ni3 -46.32(10) . . . . ?
B4 C1 C2 B6 110.49(14) . . . . ?
B4 C1 C2 B7 7.10(17) . . . . ?
B4 C1 C2 B11 74.15(16) . . . . ?
B4 C1 B5 B6 -140.72(15) . . . . ?
B4 C1 B5 B9 -37.62(14) . . . . ?
B4 C1 B5 B10 -101.53(16) . . . . ?
B4 C1 B6 C2 -96.21(15) . . . . ?
B4 C1 B6 B5 39.25(14) . . . . ?
B4 C1 B6 B10 -0.15(19) . . . . ?
B4 C1 B6 B11 -63.44(16) . . . . ?
B4 C1 C1' C2' 29.5(2) . . . . ?
B4 C1 C1' B3' 98.45(18) . . . . ?
B4 C1 C1' B4' 171.36(15) . . . . ?
B4 C1 C1' B5' -111.91(18) . . . . ?
B4 C1 C1' B6' -39.4(2) . . . . ?
B4 B5 B6 C1 -33.81(13) . . . . ?
B4 B5 B6 C2 1.51(18) . . . . ?
B4 B5 B6 B10 101.57(16) . . . . ?
B4 B5 B6 B11 60.40(17) . . . . ?
B4 B5 B9 B8 -35.08(13) . . . . ?
B4 B5 B9 B10 -135.49(14) . . . . ?
B4 B5 B9 B12 -99.28(15) . . . . ?
B4 B5 B10 B6 -99.33(14) . . . . ?
B4 B5 B10 B9 40.23(13) . . . . ?
B4 B5 B10 B11 -59.06(18) . . . . ?
B4 B5 B10 B12 4.05(18) . . . . ?
B4 B8 B9 B5 35.73(14) . . . . ?
B4 B8 B9 B10 99.26(16) . . . . ?
B4 B8 B9 B12 135.27(14) . . . . ?
B4 B8 B12 B7 98.36(15) . . . . ?
B4 B8 B12 B9 -40.55(13) . . . . ?
B4 B8 B12 B10 -3.76(18) . . . . ?
B4 B8 B12 B11 60.47(17) . . . . ?
B4 B9 B10 B5 -39.99(13) . . . . ?
B4 B9 B10 B6 -3.86(19) . . . . ?
B4 B9 B10 B11 59.26(18) . . . . ?
B4 B9 B10 B12 99.29(15) . . . . ?
B4 B9 B12 B7 3.15(19) . . . . ?
B4 B9 B12 B8 39.24(13) . . . . ?
B4 B9 B12 B10 -100.53(16) . . . . ?
B4 B9 B12 B11 -59.76(18) . . . . ?
B5 C1 C2 Ni3 -115.25(12) . . . . ?
B5 C1 C2 B6 41.56(14) . . . . ?
B5 C1 C2 B7 -61.83(17) . . . . ?
B5 C1 C2 B11 5.22(19) . . . . ?
B5 C1 B4 Ni3 151.00(12) . . . . ?
B5 C1 B4 B8 97.10(15) . . . . ?
B5 C1 B4 B9 35.64(13) . . . . ?
B5 C1 B6 C2 -135.46(15) . . . . ?
B5 C1 B6 B10 -39.40(14) . . . . ?
B5 C1 B6 B11 -102.68(15) . . . . ?
B5 C1 C1' C2' 106.45(17) . . . . ?
B5 C1 C1' B3' 175.39(15) . . . . ?
B5 C1 C1' B4' -111.70(18) . . . . ?
B5 C1 C1' B5' -35.0(2) . . . . ?
B5 C1 C1' B6' 37.5(2) . . . . ?
B5 B4 B8 P2 -133.76(13) . . . . ?
B5 B4 B8 Ni3 118.69(12) . . . . ?
B5 B4 B8 B7 69.89(16) . . . . ?
B5 B4 B8 B9 -33.49(13) . . . . ?
B5 B4 B8 B12 6.10(17) . . . . ?
B5 B4 B9 B8 141.29(14) . . . . ?
B5 B4 B9 B10 39.21(14) . . . . ?
B5 B4 B9 B12 101.67(16) . . . . ?
B5 B6 B10 B9 -35.99(14) . . . . ?
B5 B6 B10 B11 -134.16(15) . . . . ?
B5 B6 B10 B12 -99.34(17) . . . . ?
B5 B6 B11 C2 -91.97(14) . . . . ?
B5 B6 B11 B7 -57.50(18) . . . . ?
B5 B6 B11 B10 40.75(14) . . . . ?
B5 B6 B11 B12 6.98(18) . . . . ?
B5 B9 B10 B6 36.13(14) . . . . ?
B5 B9 B10 B11 99.26(15) . . . . ?
B5 B9 B10 B12 139.28(15) . . . . ?
B5 B9 B12 B7 67.49(18) . . . . ?
B5 B9 B12 B8 103.57(15) . . . . ?
B5 B9 B12 B10 -36.19(14) . . . . ?
B5 B9 B12 B11 4.57(19) . . . . ?
B5 B10 B11 C2 1.74(19) . . . . ?
B5 B10 B11 B6 -40.10(14) . . . . ?
B5 B10 B11 B7 66.67(18) . . . . ?
B5 B10 B11 B12 101.73(16) . . . . ?
B5 B10 B12 B7 -63.11(18) . . . . ?
B5 B10 B12 B8 -0.23(19) . . . . ?
B5 B10 B12 B9 36.15(13) . . . . ?
B5 B10 B12 B11 -98.35(15) . . . . ?
B6 C1 C2 Ni3 -156.81(11) . . . . ?
B6 C1 C2 B7 -103.39(15) . . . . ?
B6 C1 C2 B11 -36.34(14) . . . . ?
B6 C1 B4 Ni3 113.15(12) . . . . ?
B6 C1 B4 B5 -37.85(14) . . . . ?
B6 C1 B4 B8 59.25(17) . . . . ?
B6 C1 B4 B9 -2.21(18) . . . . ?
B6 C1 B5 B4 140.72(15) . . . . ?
B6 C1 B5 B9 103.10(16) . . . . ?
B6 C1 B5 B10 39.19(14) . . . . ?
B6 C1 C1' C2' 175.97(13) . . . . ?
B6 C1 C1' B3' -115.10(16) . . . . ?
B6 C1 C1' B4' -42.2(2) . . . . ?
B6 C1 C1' B5' 34.5(2) . . . . ?
B6 C1 C1' B6' 107.01(16) . . . . ?
B6 C2 B7 Ni3 -128.47(12) . . . . ?
B6 C2 B7 B8 -69.20(16) . . . . ?
B6 C2 B7 B11 34.06(14) . . . . ?
B6 C2 B7 B12 -7.30(17) . . . . ?
B6 C2 B11 B7 -144.01(14) . . . . ?
B6 C2 B11 B10 -40.46(13) . . . . ?
B6 C2 B11 B12 -101.85(15) . . . . ?
B6 B5 B9 B4 99.04(15) . . . . ?
B6 B5 B9 B8 63.97(19) . . . . ?
B6 B5 B9 B10 -36.44(14) . . . . ?
B6 B5 B9 B12 -0.24(19) . . . . ?
B6 B5 B10 B9 139.57(15) . . . . ?
B6 B5 B10 B11 40.27(14) . . . . ?
B6 B5 B10 B12 103.39(16) . . . . ?
B6 B10 B11 C2 41.84(13) . . . . ?
B6 B10 B11 B7 106.77(16) . . . . ?
B6 B10 B11 B12 141.83(16) . . . . ?
B6 B10 B12 B7 0.4(2) . . . . ?
B6 B10 B12 B8 63.32(19) . . . . ?
B6 B10 B12 B9 99.70(16) . . . . ?
B6 B10 B12 B11 -34.80(15) . . . . ?
B6 B11 B12 B7 -107.49(15) . . . . ?
B6 B11 B12 B8 -70.04(17) . . . . ?
B6 B11 B12 B9 -7.15(18) . . . . ?
B6 B11 B12 B10 33.63(14) . . . . ?
B7 C2 B6 C1 107.13(14) . . . . ?
B7 C2 B6 B5 69.60(16) . . . . ?
B7 C2 B6 B10 7.66(18) . . . . ?
B7 C2 B6 B11 -33.94(13) . . . . ?
B7 C2 B11 B6 144.01(14) . . . . ?
B7 C2 B11 B10 103.55(15) . . . . ?
B7 C2 B11 B12 42.16(13) . . . . ?
B7 B8 B9 B4 -97.91(15) . . . . ?
B7 B8 B9 B5 -62.18(19) . . . . ?
B7 B8 B9 B10 1.3(2) . . . . ?
B7 B8 B9 B12 37.36(14) . . . . ?
B7 B8 B12 B9 -138.91(16) . . . . ?
B7 B8 B12 B10 -102.12(16) . . . . ?
B7 B8 B12 B11 -37.89(14) . . . . ?
B7 B11 B12 B8 37.46(13) . . . . ?
B7 B11 B12 B9 100.34(15) . . . . ?
B7 B11 B12 B10 141.13(15) . . . . ?
B8 B4 B5 C1 -104.18(14) . . . . ?
B8 B4 B5 B6 -69.31(17) . . . . ?
B8 B4 B5 B9 33.89(13) . . . . ?
B8 B4 B5 B10 -6.32(17) . . . . ?
B8 B4 B9 B5 -141.29(14) . . . . ?
B8 B4 B9 B10 -102.08(15) . . . . ?
B8 B4 B9 B12 -39.62(14) . . . . ?
B8 B7 B11 C2 93.42(14) . . . . ?
B8 B7 B11 B6 59.18(18) . . . . ?
B8 B7 B11 B10 -3.92(19) . . . . ?
B8 B7 B11 B12 -38.50(14) . . . . ?
B8 B7 B12 B9 36.58(14) . . . . ?
B8 B7 B12 B10 101.24(17) . . . . ?
B8 B7 B12 B11 136.94(15) . . . . ?
B8 B9 B10 B5 -102.92(16) . . . . ?
B8 B9 B10 B6 -66.79(19) . . . . ?
B8 B9 B10 B11 -3.7(2) . . . . ?
B8 B9 B10 B12 36.36(14) . . . . ?
B8 B9 B12 B7 -36.09(14) . . . . ?
B8 B9 B12 B10 -139.77(15) . . . . ?
B8 B9 B12 B11 -99.00(15) . . . . ?
B9 B4 B5 C1 -138.07(15) . . . . ?
B9 B4 B5 B6 -103.21(16) . . . . ?
B9 B4 B5 B10 -40.21(13) . . . . ?
B9 B4 B8 P2 -100.26(15) . . . . ?
B9 B4 B8 Ni3 152.19(12) . . . . ?
B9 B4 B8 B7 103.38(15) . . . . ?
B9 B4 B8 B12 39.59(13) . . . . ?
B9 B5 B6 C1 -98.41(15) . . . . ?
B9 B5 B6 C2 -63.09(16) . . . . ?
B9 B5 B6 B10 36.97(14) . . . . ?
B9 B5 B6 B11 -4.20(18) . . . . ?
B9 B5 B10 B6 -139.57(15) . . . . ?
B9 B5 B10 B11 -99.30(15) . . . . ?
B9 B5 B10 B12 -36.18(13) . . . . ?
B9 B8 B12 B7 138.91(16) . . . . ?
B9 B8 B12 B10 36.79(14) . . . . ?
B9 B8 B12 B11 101.02(16) . . . . ?
B9 B10 B11 C2 -60.28(18) . . . . ?
B9 B10 B11 B6 -102.13(16) . . . . ?
B9 B10 B11 B7 4.64(19) . . . . ?
B9 B10 B11 B12 39.71(14) . . . . ?
B9 B10 B12 B7 -99.26(16) . . . . ?
B9 B10 B12 B8 -36.37(13) . . . . ?
B9 B10 B12 B11 -134.50(14) . . . . ?
B10 B5 B6 C1 -135.38(15) . . . . ?
B10 B5 B6 C2 -100.06(15) . . . . ?
B10 B5 B6 B11 -41.17(14) . . . . ?
B10 B5 B9 B4 135.49(14) . . . . ?
B10 B5 B9 B8 100.41(16) . . . . ?
B10 B5 B9 B12 36.20(14) . . . . ?
B10 B6 B11 C2 -132.72(15) . . . . ?
B10 B6 B11 B7 -98.25(16) . . . . ?
B10 B6 B11 B12 -33.78(14) . . . . ?
B10 B9 B12 B7 103.68(16) . . . . ?
B10 B9 B12 B8 139.77(15) . . . . ?
B10 B9 B12 B11 40.76(13) . . . . ?
B10 B11 B12 B7 -141.13(15) . . . . ?
B10 B11 B12 B8 -103.67(16) . . . . ?
B10 B11 B12 B9 -40.79(14) . . . . ?
B11 C2 B6 C1 141.07(14) . . . . ?
B11 C2 B6 B5 103.54(15) . . . . ?
B11 C2 B6 B10 41.60(13) . . . . ?
B11 C2 B7 Ni3 -162.53(12) . . . . ?
B11 C2 B7 B8 -103.25(14) . . . . ?
B11 C2 B7 B12 -41.36(13) . . . . ?
B11 B6 B10 B5 134.16(15) . . . . ?
B11 B6 B10 B9 98.18(16) . . . . ?
B11 B6 B10 B12 34.82(15) . . . . ?
B11 B7 B8 P2 143.10(15) . . . . ?
B11 B7 B8 Ni3 -114.64(13) . . . . ?
B11 B7 B8 B4 -63.30(16) . . . . ?
B11 B7 B8 B9 1.59(19) . . . . ?
B11 B7 B8 B12 38.43(14) . . . . ?
B11 B7 B12 B8 -136.94(15) . . . . ?
B11 B7 B12 B9 -100.36(16) . . . . ?
B11 B7 B12 B10 -35.70(14) . . . . ?
B11 B10 B12 B7 35.24(14) . . . . ?
B11 B10 B12 B8 98.12(15) . . . . ?
B11 B10 B12 B9 134.50(14) . . . . ?
B12 B7 B8 P2 104.67(18) . . . . ?
B12 B7 B8 Ni3 -153.07(13) . . . . ?
B12 B7 B8 B4 -101.73(15) . . . . ?
B12 B7 B8 B9 -36.84(14) . . . . ?
B12 B7 B11 C2 131.93(15) . . . . ?
B12 B7 B11 B6 97.68(16) . . . . ?
B12 B7 B11 B10 34.59(14) . . . . ?
B12 B8 B9 B4 -135.27(14) . . . . ?
B12 B8 B9 B5 -99.54(16) . . . . ?
B12 B8 B9 B10 -36.01(14) . . . . ?
B12 B9 B10 B5 -139.28(15) . . . . ?
B12 B9 B10 B6 -103.15(16) . . . . ?
B12 B9 B10 B11 -40.02(13) . . . . ?
B12 B10 B11 C2 -99.99(15) . . . . ?
B12 B10 B11 B6 -141.83(16) . . . . ?
B12 B10 B11 B7 -35.06(14) . . . . ?
C1' C1 C2 Ni3 98.84(14) . . . . ?
C1' C1 C2 B6 -104.36(16) . . . . ?
C1' C1 C2 B7 152.26(14) . . . . ?
C1' C1 C2 B11 -140.69(15) . . . . ?
C1' C1 B4 Ni3 -100.52(14) . . . . ?
C1' C1 B4 B5 108.48(16) . . . . ?
C1' C1 B4 B8 -154.42(14) . . . . ?
C1' C1 B4 B9 144.12(15) . . . . ?
C1' C1 B5 B4 -115.14(16) . . . . ?
C1' C1 B5 B6 104.15(16) . . . . ?
C1' C1 B5 B9 -152.76(15) . . . . ?
C1' C1 B5 B10 143.34(15) . . . . ?
C1' C1 B6 C2 114.67(15) . . . . ?
C1' C1 B6 B5 -109.87(15) . . . . ?
C1' C1 B6 B10 -149.27(14) . . . . ?
C1' C1 B6 B11 147.45(13) . . . . ?
C1' C2' B3' B4' 36.63(13) . . . . ?
C1' C2' B3' B7' 140.24(15) . . . . ?
C1' C2' B3' B8' 100.04(15) . . . . ?
C1' C2' B6' B5' -37.39(13) . . . . ?
C1' C2' B6' B10' -99.25(16) . . . . ?
C1' C2' B6' B11' -139.60(16) . . . . ?
C1' C2' B7' B3' -37.80(14) . . . . ?
C1' C2' B7' B8' 1.8(2) . . . . ?
C1' C2' B7' B11' 104.89(17) . . . . ?
C1' C2' B7' B12' 64.46(19) . . . . ?
C1' C2' B11' B6' 38.41(15) . . . . ?
C1' C2' B11' B7' -104.92(17) . . . . ?
C1' C2' B11' B10' -1.8(2) . . . . ?
C1' C2' B11' B12' -64.63(19) . . . . ?
C1' B3' B4' B5' 35.42(14) . . . . ?
C1' B3' B4' B8' 135.82(16) . . . . ?
C1' B3' B4' B9' 98.26(17) . . . . ?
C1' B3' B7' C2' 34.31(13) . . . . ?
C1' B3' B7' B8' -99.78(16) . . . . ?
C1' B3' B7' B11' 1.5(2) . . . . ?
C1' B3' B7' B12' -62.1(2) . . . . ?
C1' B3' B8' B4' -38.05(14) . . . . ?
C1' B3' B8' B7' 99.56(16) . . . . ?
C1' B3' B8' B9' -0.7(2) . . . . ?
C1' B3' B8' B12' 62.21(19) . . . . ?
C1' B4' B5' B6' 34.44(14) . . . . ?
C1' B4' B5' B9' 135.11(16) . . . . ?
C1' B4' B5' B10' 97.63(17) . . . . ?
C1' B4' B8' B3' 38.85(14) . . . . ?
C1' B4' B8' B7' 0.8(2) . . . . ?
C1' B4' B8' B9' -98.94(17) . . . . ?
C1' B4' B8' B12' -62.18(19) . . . . ?
C1' B4' B9' B5' -38.97(14) . . . . ?
C1' B4' B9' B8' 99.71(16) . . . . ?
C1' B4' B9' B10' -1.7(2) . . . . ?
C1' B4' B9' B12' 62.6(2) . . . . ?
C1' B5' B6' C2' 36.95(13) . . . . ?
C1' B5' B6' B10' 135.03(16) . . . . ?
C1' B5' B6' B11' 97.15(16) . . . . ?
C1' B5' B9' B4' 38.46(14) . . . . ?
C1' B5' B9' B8' 1.2(2) . . . . ?
C1' B5' B9' B10' -99.86(17) . . . . ?
C1' B5' B9' B12' -62.6(2) . . . . ?
C1' B5' B10' B6' -39.40(14) . . . . ?
C1' B5' B10' B9' 98.67(17) . . . . ?
C1' B5' B10' B11' -1.1(2) . . . . ?
C1' B5' B10' B12' 62.0(2) . . . . ?
C1' B6' B10' B5' 38.62(14) . . . . ?
C1' B6' B10' B9' 1.2(2) . . . . ?
C1' B6' B10' B11' -98.89(16) . . . . ?
C1' B6' B10' B12' -62.1(2) . . . . ?
C1' B6' B11' C2' -34.52(14) . . . . ?
C1' B6' B11' B7' -1.8(2) . . . . ?
C1' B6' B11' B10' 98.97(18) . . . . ?
C1' B6' B11' B12' 61.7(2) . . . . ?
C2' C1' B3' B4' -137.09(15) . . . . ?
C2' C1' B3' B7' -34.56(14) . . . . ?
C2' C1' B3' B8' -97.61(16) . . . . ?
C2' C1' B4' B3' 38.62(14) . . . . ?
C2' C1' B4' B5' -101.57(15) . . . . ?
C2' C1' B4' B8' 0.29(19) . . . . ?
C2' C1' B4' B9' -62.44(18) . . . . ?
C2' C1' B5' B4' 102.23(15) . . . . ?
C2' C1' B5' B6' -39.29(14) . . . . ?
C2' C1' B5' B9' 62.85(18) . . . . ?
C2' C1' B5' B10' 0.1(2) . . . . ?
C2' C1' B6' B5' 136.30(16) . . . . ?
C2' C1' B6' B10' 97.03(17) . . . . ?
C2' C1' B6' B11' 34.61(14) . . . . ?
C2' B3' B4' C1' -36.51(13) . . . . ?
C2' B3' B4' B5' -1.1(2) . . . . ?
C2' B3' B4' B8' 99.31(16) . . . . ?
C2' B3' B4' B9' 61.75(18) . . . . ?
C2' B3' B7' B8' -134.10(16) . . . . ?
C2' B3' B7' B11' -32.84(16) . . . . ?
C2' B3' B7' B12' -96.42(18) . . . . ?
C2' B3' B8' B4' -98.32(16) . . . . ?
C2' B3' B8' B7' 39.29(14) . . . . ?
C2' B3' B8' B9' -61.0(2) . . . . ?
C2' B3' B8' B12' 1.9(2) . . . . ?
C2' B6' B10' B5' 98.29(16) . . . . ?
C2' B6' B10' B9' 60.8(2) . . . . ?
C2' B6' B10' B11' -39.23(15) . . . . ?
C2' B6' B10' B12' -2.4(2) . . . . ?
C2' B6' B11' B7' 32.67(16) . . . . ?
C2' B6' B11' B10' 133.49(18) . . . . ?
C2' B6' B11' B12' 96.22(18) . . . . ?
C2' B7' B8' B3' -39.36(14) . . . . ?
C2' B7' B8' B4' -1.5(2) . . . . ?
C2' B7' B8' B9' 61.23(19) . . . . ?
C2' B7' B8' B12' 98.67(17) . . . . ?
C2' B7' B11' B6' -32.79(16) . . . . ?
C2' B7' B11' B10' -95.93(17) . . . . ?
C2' B7' B11' B12' -133.63(17) . . . . ?
C2' B7' B12' B8' -98.50(17) . . . . ?
C2' B7' B12' B9' -60.6(2) . . . . ?
C2' B7' B12' B10' 2.4(2) . . . . ?
C2' B7' B12' B11' 39.50(15) . . . . ?
C2' B11' B12' B7' -39.76(15) . . . . ?
C2' B11' B12' B8' -2.4(2) . . . . ?
C2' B11' B12' B9' 61.3(2) . . . . ?
C2' B11' B12' B10' 98.54(17) . . . . ?
B3' C1' C2' B6' 145.80(16) . . . . ?
B3' C1' C2' B7' 38.08(15) . . . . ?
B3' C1' C2' B11' 106.98(17) . . . . ?
B3' C1' B4' B5' -140.19(16) . . . . ?
B3' C1' B4' B8' -38.33(14) . . . . ?
B3' C1' B4' B9' -101.06(17) . . . . ?
B3' C1' B5' B4' 37.69(15) . . . . ?
B3' C1' B5' B6' -103.83(16) . . . . ?
B3' C1' B5' B9' -1.7(2) . . . . ?
B3' C1' B5' B10' -64.5(2) . . . . ?
B3' C1' B6' C2' -31.73(15) . . . . ?
B3' C1' B6' B5' 104.56(16) . . . . ?
B3' C1' B6' B10' 65.30(19) . . . . ?
B3' C1' B6' B11' 2.9(2) . . . . ?
B3' C2' B6' C1' 33.27(15) . . . . ?
B3' C2' B6' B5' -4.1(2) . . . . ?
B3' C2' B6' B10' -65.98(19) . . . . ?
B3' C2' B6' B11' -106.33(18) . . . . ?
B3' C2' B7' B8' 39.56(15) . . . . ?
B3' C2' B7' B11' 142.68(17) . . . . ?
B3' C2' B7' B12' 102.25(18) . . . . ?
B3' C2' B11' B6' 106.92(18) . . . . ?
B3' C2' B11' B7' -36.41(16) . . . . ?
B3' C2' B11' B10' 66.7(2) . . . . ?
B3' C2' B11' B12' 3.9(2) . . . . ?
B3' B4' B5' C1' -35.75(14) . . . . ?
B3' B4' B5' B6' -1.3(2) . . . . ?
B3' B4' B5' B9' 99.36(17) . . . . ?
B3' B4' B5' B10' 61.9(2) . . . . ?
B3' B4' B8' B7' -38.07(15) . . . . ?
B3' B4' B8' B9' -137.79(17) . . . . ?
B3' B4' B8' B12' -101.04(18) . . . . ?
B3' B4' B9' B5' -101.70(16) . . . . ?
B3' B4' B9' B8' 36.98(15) . . . . ?
B3' B4' B9' B10' -64.4(2) . . . . ?
B3' B4' B9' B12' -0.2(2) . . . . ?
B3' B7' B8' B4' 37.85(15) . . . . ?
B3' B7' B8' B9' 100.59(17) . . . . ?
B3' B7' B8' B12' 138.03(17) . . . . ?
B3' B7' B11' C2' 33.04(15) . . . . ?
B3' B7' B11' B6' 0.2(2) . . . . ?
B3' B7' B11' B10' -62.9(2) . . . . ?
B3' B7' B11' B12' -100.59(18) . . . . ?
B3' B7' B12' B8' -37.11(15) . . . . ?
B3' B7' B12' B9' 0.8(2) . . . . ?
B3' B7' B12' B10' 63.8(2) . . . . ?
B3' B7' B12' B11' 100.89(17) . . . . ?
B3' B8' B9' B4' -37.54(15) . . . . ?
B3' B8' B9' B5' -0.3(2) . . . . ?
B3' B8' B9' B10' 63.3(2) . . . . ?
B3' B8' B9' B12' 101.06(18) . . . . ?
B3' B8' B12' B7' 37.71(15) . . . . ?
B3' B8' B12' B9' -99.98(18) . . . . ?
B3' B8' B12' B10' -62.8(2) . . . . ?
B3' B8' B12' B11' 0.3(2) . . . . ?
B4' C1' C2' B3' -39.42(14) . . . . ?
B4' C1' C2' B6' 106.38(16) . . . . ?
B4' C1' C2' B7' -1.34(19) . . . . ?
B4' C1' C2' B11' 67.56(18) . . . . ?
B4' C1' B3' C2' 137.09(15) . . . . ?
B4' C1' B3' B7' 102.53(17) . . . . ?
B4' C1' B3' B8' 39.47(15) . . . . ?
B4' C1' B5' B6' -141.51(16) . . . . ?
B4' C1' B5' B9' -39.38(15) . . . . ?
B4' C1' B5' B10' -102.16(18) . . . . ?
B4' C1' B6' C2' -99.41(16) . . . . ?
B4' C1' B6' B5' 36.89(15) . . . . ?
B4' C1' B6' B10' -2.4(2) . . . . ?
B4' C1' B6' B11' -64.80(19) . . . . ?
B4' B3' B7' C2' 95.48(16) . . . . ?
B4' B3' B7' B8' -38.61(15) . . . . ?
B4' B3' B7' B11' 62.6(2) . . . . ?
B4' B3' B7' B12' -0.9(2) . . . . ?
B4' B3' B8' B7' 137.61(16) . . . . ?
B4' B3' B8' B9' 37.34(16) . . . . ?
B4' B3' B8' B12' 100.26(18) . . . . ?
B4' B5' B6' C1' -33.84(13) . . . . ?
B4' B5' B6' C2' 3.1(2) . . . . ?
B4' B5' B6' B10' 101.19(17) . . . . ?
B4' B5' B6' B11' 63.31(19) . . . . ?
B4' B5' B9' B8' -37.28(16) . . . . ?
B4' B5' B9' B10' -138.32(17) . . . . ?
B4' B5' B9' B12' -101.03(18) . . . . ?
B4' B5' B10' B6' -100.61(17) . . . . ?
B4' B5' B10' B9' 37.45(16) . . . . ?
B4' B5' B10' B11' -62.4(2) . . . . ?
B4' B5' B10' B12' 0.7(2) . . . . ?
B4' B8' B9' B5' 37.25(16) . . . . ?
B4' B8' B9' B10' 100.86(18) . . . . ?
B4' B8' B9' B12' 138.61(18) . . . . ?
B4' B8' B12' B7' 100.99(17) . . . . ?
B4' B8' B12' B9' -36.69(16) . . . . ?
B4' B8' B12' B10' 0.5(2) . . . . ?
B4' B8' B12' B11' 63.6(2) . . . . ?
B4' B9' B10' B5' -37.43(15) . . . . ?
B4' B9' B10' B6' 0.3(2) . . . . ?
B4' B9' B10' B11' 64.1(2) . . . . ?
B4' B9' B10' B12' 101.41(18) . . . . ?
B4' B9' B12' B7' -0.4(2) . . . . ?
B4' B9' B12' B8' 37.29(16) . . . . ?
B4' B9' B12' B10' -100.95(19) . . . . ?
B4' B9' B12' B11' -63.6(2) . . . . ?
B5' C1' C2' B3' -105.87(16) . . . . ?
B5' C1' C2' B6' 39.93(15) . . . . ?
B5' C1' C2' B7' -67.79(18) . . . . ?
B5' C1' C2' B11' 1.1(2) . . . . ?
B5' C1' B3' C2' 99.15(16) . . . . ?
B5' C1' B3' B4' -37.94(15) . . . . ?
B5' C1' B3' B7' 64.59(19) . . . . ?
B5' C1' B3' B8' 1.5(2) . . . . ?
B5' C1' B4' B3' 140.19(16) . . . . ?
B5' C1' B4' B8' 101.86(17) . . . . ?
B5' C1' B4' B9' 39.13(15) . . . . ?
B5' C1' B6' C2' -136.30(16) . . . . ?
B5' C1' B6' B10' -39.27(15) . . . . ?
B5' C1' B6' B11' -101.69(18) . . . . ?
B5' B4' B8' B3' 101.01(16) . . . . ?
B5' B4' B8' B7' 62.94(19) . . . . ?
B5' B4' B8' B9' -36.78(16) . . . . ?
B5' B4' B8' B12' 0.0(2) . . . . ?
B5' B4' B9' B8' 138.68(17) . . . . ?
B5' B4' B9' B10' 37.29(16) . . . . ?
B5' B4' B9' B12' 101.5(2) . . . . ?
B5' B6' B10' B9' -37.44(16) . . . . ?
B5' B6' B10' B11' -137.51(17) . . . . ?
B5' B6' B10' B12' -100.72(19) . . . . ?
B5' B6' B11' C2' -95.70(16) . . . . ?
B5' B6' B11' B7' -63.0(2) . . . . ?
B5' B6' B11' B10' 37.79(16) . . . . ?
B5' B6' B11' B12' 0.5(2) . . . . ?
B5' B9' B10' B6' 37.73(16) . . . . ?
B5' B9' B10' B11' 101.55(18) . . . . ?
B5' B9' B10' B12' 138.84(18) . . . . ?
B5' B9' B12' B7' 63.6(2) . . . . ?
B5' B9' B12' B8' 101.25(18) . . . . ?
B5' B9' B12' B10' -36.99(16) . . . . ?
B5' B9' B12' B11' 0.3(2) . . . . ?
B5' B10' B11' C2' 1.7(2) . . . . ?
B5' B10' B11' B6' -38.26(16) . . . . ?
B5' B10' B11' B7' 63.2(2) . . . . ?
B5' B10' B11' B12' 100.5(2) . . . . ?
B5' B10' B12' B7' -64.0(2) . . . . ?
B5' B10' B12' B8' -0.8(2) . . . . ?
B5' B10' B12' B9' 36.74(17) . . . . ?
B5' B10' B12' B11' -101.17(19) . . . . ?
B6' C1' C2' B3' -145.80(16) . . . . ?
B6' C1' C2' B7' -107.72(17) . . . . ?
B6' C1' C2' B11' -38.82(16) . . . . ?
B6' C1' B3' C2' 31.80(15) . . . . ?
B6' C1' B3' B4' -105.28(16) . . . . ?
B6' C1' B3' B7' -2.8(2) . . . . ?
B6' C1' B3' B8' -65.81(19) . . . . ?
B6' C1' B4' B3' 103.62(16) . . . . ?
B6' C1' B4' B5' -36.58(15) . . . . ?
B6' C1' B4' B8' 65.29(18) . . . . ?
B6' C1' B4' B9' 2.6(2) . . . . ?
B6' C1' B5' B4' 141.51(16) . . . . ?
B6' C1' B5' B9' 102.14(17) . . . . ?
B6' C1' B5' B10' 39.36(16) . . . . ?
B6' C2' B3' C1' -33.29(15) . . . . ?
B6' C2' B3' B4' 3.3(2) . . . . ?
B6' C2' B3' B7' 106.95(18) . . . . ?
B6' C2' B3' B8' 66.75(19) . . . . ?
B6' C2' B7' B3' -106.55(18) . . . . ?
B6' C2' B7' B8' -67.0(2) . . . . ?
B6' C2' B7' B11' 36.13(17) . . . . ?
B6' C2' B7' B12' -4.3(2) . . . . ?
B6' C2' B11' B7' -143.33(17) . . . . ?
B6' C2' B11' B10' -40.18(16) . . . . ?
B6' C2' B11' B12' -103.04(18) . . . . ?
B6' B5' B9' B4' 101.01(17) . . . . ?
B6' B5' B9' B8' 63.7(2) . . . . ?
B6' B5' B9' B10' -37.31(16) . . . . ?
B6' B5' B9' B12' 0.0(2) . . . . ?
B6' B5' B10' B9' 138.07(17) . . . . ?
B6' B5' B10' B11' 38.26(17) . . . . ?
B6' B5' B10' B12' 101.35(19) . . . . ?
B6' B10' B11' C2' 40.00(15) . . . . ?
B6' B10' B11' B7' 101.43(17) . . . . ?
B6' B10' B11' B12' 138.78(18) . . . . ?
B6' B10' B12' B7' 0.0(2) . . . . ?
B6' B10' B12' B8' 63.2(2) . . . . ?
B6' B10' B12' B9' 100.75(18) . . . . ?
B6' B10' B12' B11' -37.17(17) . . . . ?
B6' B11' B12' B7' -101.55(17) . . . . ?
B6' B11' B12' B8' -64.2(2) . . . . ?
B6' B11' B12' B9' -0.5(2) . . . . ?
B6' B11' B12' B10' 36.75(16) . . . . ?
B7' C2' B3' C1' -140.24(15) . . . . ?
B7' C2' B3' B4' -103.61(17) . . . . ?
B7' C2' B3' B8' -40.20(15) . . . . ?
B7' C2' B6' C1' 103.55(17) . . . . ?
B7' C2' B6' B5' 66.16(19) . . . . ?
B7' C2' B6' B10' 4.3(2) . . . . ?
B7' C2' B6' B11' -36.05(17) . . . . ?
B7' C2' B11' B6' 143.33(17) . . . . ?
B7' C2' B11' B10' 103.15(19) . . . . ?
B7' C2' B11' B12' 40.29(16) . . . . ?
B7' B3' B4' C1' -97.59(16) . . . . ?
B7' B3' B4' B5' -62.16(19) . . . . ?
B7' B3' B4' B8' 38.23(15) . . . . ?
B7' B3' B4' B9' 0.7(2) . . . . ?
B7' B3' B8' B4' -137.61(16) . . . . ?
B7' B3' B8' B9' -100.27(18) . . . . ?
B7' B3' B8' B12' -37.35(16) . . . . ?
B7' B8' B9' B4' -101.16(17) . . . . ?
B7' B8' B9' B5' -63.9(2) . . . . ?
B7' B8' B9' B10' -0.3(2) . . . . ?
B7' B8' B9' B12' 37.45(16) . . . . ?
B7' B8' B12' B9' -137.69(18) . . . . ?
B7' B8' B12' B10' -100.5(2) . . . . ?
B7' B8' B12' B11' -37.44(16) . . . . ?
B7' B11' B12' B8' 37.39(15) . . . . ?
B7' B11' B12' B9' 101.02(19) . . . . ?
B7' B11' B12' B10' 138.30(18) . . . . ?
B8' B3' B4' C1' -135.82(16) . . . . ?
B8' B3' B4' B5' -100.40(17) . . . . ?
B8' B3' B4' B9' -37.56(16) . . . . ?
B8' B3' B7' C2' 134.10(16) . . . . ?
B8' B3' B7' B11' 101.25(18) . . . . ?
B8' B3' B7' B12' 37.68(16) . . . . ?
B8' B4' B5' C1' -98.07(16) . . . . ?
B8' B4' B5' B6' -63.63(19) . . . . ?
B8' B4' B5' B9' 37.04(16) . . . . ?
B8' B4' B5' B10' -0.4(2) . . . . ?
B8' B4' B9' B5' -138.68(17) . . . . ?
B8' B4' B9' B10' -101.39(19) . . . . ?
B8' B4' B9' B12' -37.14(16) . . . . ?
B8' B7' B11' C2' 95.74(17) . . . . ?
B8' B7' B11' B6' 63.0(2) . . . . ?
B8' B7' B11' B10' -0.2(2) . . . . ?
B8' B7' B11' B12' -37.89(16) . . . . ?
B8' B7' B12' B9' 37.94(17) . . . . ?
B8' B7' B12' B10' 100.90(19) . . . . ?
B8' B7' B12' B11' 138.01(17) . . . . ?
B8' B9' B10' B5' -101.37(18) . . . . ?
B8' B9' B10' B6' -63.6(2) . . . . ?
B8' B9' B10' B11' 0.2(2) . . . . ?
B8' B9' B10' B12' 37.47(16) . . . . ?
B8' B9' B12' B7' -37.70(17) . . . . ?
B8' B9' B12' B10' -138.24(18) . . . . ?
B8' B9' B12' B11' -100.91(18) . . . . ?
B9' B4' B5' C1' -135.11(16) . . . . ?
B9' B4' B5' B6' -100.67(18) . . . . ?
B9' B4' B5' B10' -37.48(17) . . . . ?
B9' B4' B8' B3' 137.79(17) . . . . ?
B9' B4' B8' B7' 99.72(18) . . . . ?
B9' B4' B8' B12' 36.75(16) . . . . ?
B9' B5' B6' C1' -97.47(17) . . . . ?
B9' B5' B6' C2' -60.51(19) . . . . ?
B9' B5' B6' B10' 37.57(16) . . . . ?
B9' B5' B6' B11' -0.3(2) . . . . ?
B9' B5' B10' B6' -138.07(17) . . . . ?
B9' B5' B10' B11' -99.8(2) . . . . ?
B9' B5' B10' B12' -36.71(17) . . . . ?
B9' B8' B12' B7' 137.69(18) . . . . ?
B9' B8' B12' B10' 37.17(17) . . . . ?
B9' B8' B12' B11' 100.25(19) . . . . ?
B9' B10' B11' C2' -61.4(2) . . . . ?
B9' B10' B11' B6' -101.43(18) . . . . ?
B9' B10' B11' B7' 0.0(2) . . . . ?
B9' B10' B11' B12' 37.35(16) . . . . ?
B9' B10' B12' B7' -100.71(19) . . . . ?
B9' B10' B12' B8' -37.50(17) . . . . ?
B9' B10' B12' B11' -137.91(18) . . . . ?
B10' B5' B6' C1' -135.03(16) . . . . ?
B10' B5' B6' C2' -98.08(17) . . . . ?
B10' B5' B6' B11' -37.88(16) . . . . ?
B10' B5' B9' B4' 138.32(17) . . . . ?
B10' B5' B9' B8' 101.04(19) . . . . ?
B10' B5' B9' B12' 37.29(17) . . . . ?
B10' B6' B11' C2' -133.49(18) . . . . ?
B10' B6' B11' B7' -100.81(19) . . . . ?
B10' B6' B11' B12' -37.27(17) . . . . ?
B10' B9' B12' B7' 100.5(2) . . . . ?
B10' B9' B12' B8' 138.24(18) . . . . ?
B10' B9' B12' B11' 37.33(17) . . . . ?
B10' B11' B12' B7' -138.30(18) . . . . ?
B10' B11' B12' B8' -100.91(18) . . . . ?
B10' B11' B12' B9' -37.28(16) . . . . ?
B11' C2' B3' C1' -103.78(17) . . . . ?
B11' C2' B3' B4' -67.15(19) . . . . ?
B11' C2' B3' B7' 36.46(16) . . . . ?
B11' C2' B3' B8' -3.7(2) . . . . ?
B11' C2' B6' C1' 139.60(16) . . . . ?
B11' C2' B6' B5' 102.21(18) . . . . ?
B11' C2' B6' B10' 40.35(16) . . . . ?
B11' C2' B7' B3' -142.68(17) . . . . ?
B11' C2' B7' B8' -103.12(18) . . . . ?
B11' C2' B7' B12' -40.43(16) . . . . ?
B11' B6' B10' B5' 137.51(17) . . . . ?
B11' B6' B10' B9' 100.07(19) . . . . ?
B11' B6' B10' B12' 36.80(17) . . . . ?
B11' B7' B8' B3' -100.29(17) . . . . ?
B11' B7' B8' B4' -62.4(2) . . . . ?
B11' B7' B8' B9' 0.3(2) . . . . ?
B11' B7' B8' B12' 37.74(16) . . . . ?
B11' B7' B12' B8' -138.01(17) . . . . ?
B11' B7' B12' B9' -100.1(2) . . . . ?
B11' B7' B12' B10' -37.11(17) . . . . ?
B11' B10' B12' B7' 37.21(16) . . . . ?
B11' B10' B12' B8' 100.41(19) . . . . ?
B11' B10' B12' B9' 137.91(18) . . . . ?
B12' B7' B8' B3' -138.03(17) . . . . ?
B12' B7' B8' B4' -100.18(18) . . . . ?
B12' B7' B8' B9' -37.44(16) . . . . ?
B12' B7' B11' C2' 133.63(17) . . . . ?
B12' B7' B11' B6' 100.84(19) . . . . ?
B12' B7' B11' B10' 37.70(16) . . . . ?
B12' B8' B9' B4' -138.61(18) . . . . ?
B12' B8' B9' B5' -101.4(2) . . . . ?
B12' B8' B9' B10' -37.75(17) . . . . ?
B12' B9' B10' B5' -138.84(18) . . . . ?
B12' B9' B10' B6' -101.11(19) . . . . ?
B12' B9' B10' B11' -37.28(16) . . . . ?
B12' B10' B11' C2' -98.78(18) . . . . ?
B12' B10' B11' B6' -138.78(18) . . . . ?
B12' B10' B11' B7' -37.35(16) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5106
_database_code_depnum_ccdc_archive 'CCDC 1492396'
_audit_update_record             
;
2016-07-19 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2016-07-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H43 B19 Ni P2'
_chemical_formula_sum            'C20 H43 B19 Ni P2'
_chemical_formula_weight         609.58
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.8159(13)
_cell_length_b                   11.0792(15)
_cell_length_c                   14.558(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.703(9)
_cell_angle_gamma                90
_cell_volume                     1583.1(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1238
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      16.179
_cell_measurement_theta_min      2.310
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.856
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1204 before and 0.1009 after correction.
The Ratio of minimum to maximum transmission is 0.6578.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1330
_diffrn_reflns_av_unetI/netI     0.1580
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17876
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        24.825
_diffrn_reflns_theta_max         24.825
_diffrn_reflns_theta_min         2.310
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.892
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                3249
_reflns_number_total             4833
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         4833
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0699
_refine_ls_restrained_S_all      1.047
_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)+(0.0618P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1567
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.56(4) 0.44(4)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All B(H,H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Shared sites
{B4, C4}
{C2, B2}
4. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(B4) = Uanis(C4)
Uanis(C2) = Uanis(B2)
5. Others
 Fixed Sof: B2(0.15) C2(0.85) B4(0.85) C4(0.15) H11A(0.15) H11(0.85)
6.a Aromatic/amide H refined with riding coordinates:
 C104(H104), C105(H105), C106(H106), C107(H107), C108(H108), C204(H204),
 C205(H205), C206(H206), C207(H207), C208(H208)
6.b Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C102(H10D,H10E,H10F), C201(H20A,H20B,H20C), C202(H20D,
 H20E,H20F)
6.c Boron cage BH refined with riding coordinates:
 B11(H11A), B11(H11), C2'(H2')
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4651(11) 0.2129(10) 0.3072(8) 0.023(3) Uani 1 1 d . . . . .
P1 P 0.2165(3) 0.4155(3) 0.1478(2) 0.0239(8) Uani 1 1 d . . . . .
B2 B 0.4867(13) 0.3412(10) 0.2557(9) 0.020(3) Uani 0.15 1 d . . P A 2
C2 C 0.4867(13) 0.3412(10) 0.2557(9) 0.020(3) Uani 0.85 1 d . . P A 1
H2 H 0.449(10) 0.394(10) 0.291(7) 0.025 Uiso 1 1 d R . . . .
P2 P 0.2120(3) 0.1270(3) 0.1002(2) 0.0239(8) Uani 1 1 d . . . . .
Ni3 Ni 0.34870(13) 0.25099(11) 0.17070(9) 0.0193(4) Uani 1 1 d . . . . .
B4 B 0.4769(14) 0.1101(14) 0.2253(10) 0.028(4) Uani 0.85 1 d . . P A 1
H4 H 0.420(11) 0.021(10) 0.248(7) 0.034 Uiso 1 1 d R . . . .
C4 C 0.4769(14) 0.1101(14) 0.2253(10) 0.028(4) Uani 0.15 1 d . U P A 2
B5 B 0.6117(13) 0.1319(14) 0.3083(10) 0.024(3) Uani 1 1 d . . . . .
H5 H 0.618(11) 0.075(10) 0.358(7) 0.029 Uiso 1 1 d R . . . .
B6 B 0.6138(14) 0.2879(13) 0.3324(10) 0.027(4) Uani 1 1 d . . . . .
H6 H 0.621(11) 0.332(10) 0.391(8) 0.032 Uiso 1 1 d R . . . .
B7 B 0.5324(16) 0.3390(15) 0.1430(10) 0.028(4) Uani 1 1 d . . . . .
H7 H 0.528(10) 0.421(10) 0.095(7) 0.033 Uiso 1 1 d R . . . .
B8 B 0.5330(14) 0.1795(14) 0.1182(10) 0.022(4) Uani 1 1 d . . . . .
H8 H 0.529(10) 0.133(10) 0.063(7) 0.027 Uiso 1 1 d R . . . .
B9 B 0.6546(14) 0.1118(14) 0.1914(10) 0.025(4) Uani 1 1 d . . . . .
H9 H 0.705(11) 0.042(10) 0.162(7) 0.031 Uiso 1 1 d R . . . .
B10 B 0.7368(13) 0.2259(11) 0.2612(9) 0.019(3) Uani 1 1 d . . . . .
H10 H 0.830(10) 0.224(9) 0.282(6) 0.023 Uiso 1 1 d R . . . .
B11 B 0.6530(14) 0.3652(13) 0.2310(10) 0.025(4) Uani 1 1 d . . . . .
H11A H 0.7047 0.4552 0.2349 0.030 Uiso 0.15 1 calc R . P A 2
H11 H 0.7047 0.4552 0.2349 0.030 Uiso 0.85 1 calc R . P A 1
B12 B 0.6902(12) 0.2558(17) 0.1448(8) 0.027(3) Uani 1 1 d . . . . .
H12 H 0.771(9) 0.283(9) 0.086(6) 0.032 Uiso 1 1 d R . . . .
C101 C 0.0346(11) 0.4103(12) 0.1613(8) 0.021(3) Uani 1 1 d . . . . .
H10A H -0.0053 0.3561 0.1151 0.032 Uiso 1 1 calc GR . . . .
H10B H -0.0033 0.4915 0.1533 0.032 Uiso 1 1 calc GR . . . .
H10C H 0.0134 0.3805 0.2229 0.032 Uiso 1 1 calc GR . . . .
C102 C 0.2342(11) 0.4714(10) 0.0309(7) 0.024(3) Uani 1 1 d . . . . .
H10D H 0.3311 0.4762 0.0157 0.036 Uiso 1 1 calc GR . . . .
H10E H 0.1932 0.5518 0.0260 0.036 Uiso 1 1 calc GR . . . .
H10F H 0.1880 0.4163 -0.0119 0.036 Uiso 1 1 calc GR . . . .
C103 C 0.2612(12) 0.5484(11) 0.2187(8) 0.027(3) Uani 1 1 d . . . . .
C104 C 0.3606(11) 0.6303(10) 0.1895(8) 0.026(3) Uani 1 1 d . . . . .
H104 H 0.4078 0.6154 0.1341 0.032 Uiso 1 1 calc R . . . .
C105 C 0.3904(11) 0.7316(11) 0.2398(8) 0.028(3) Uani 1 1 d . . . . .
H105 H 0.4577 0.7866 0.2191 0.034 Uiso 1 1 calc R . . . .
C106 C 0.3218(10) 0.7539(14) 0.3216(8) 0.034(3) Uani 1 1 d . . . . .
H106 H 0.3423 0.8243 0.3563 0.041 Uiso 1 1 calc R . . . .
C107 C 0.2234(13) 0.6732(12) 0.3526(9) 0.038(3) Uani 1 1 d . . . . .
H107 H 0.1782 0.6873 0.4089 0.045 Uiso 1 1 calc R . . . .
C108 C 0.1927(13) 0.5724(11) 0.3000(8) 0.031(3) Uani 1 1 d . . . . .
H108 H 0.1237 0.5186 0.3198 0.037 Uiso 1 1 calc R . . . .
C201 C 0.0498(13) 0.0870(12) 0.1532(8) 0.030(3) Uani 1 1 d . . . . .
H20A H 0.0674 0.0394 0.2089 0.045 Uiso 1 1 calc GR . . . .
H20B H -0.0052 0.0393 0.1099 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.0005 0.1608 0.1693 0.045 Uiso 1 1 calc GR . . . .
C202 C 0.2767(12) -0.0224(10) 0.0723(8) 0.029(3) Uani 1 1 d . . . . .
H20D H 0.3656 -0.0147 0.0429 0.043 Uiso 1 1 calc GR . . . .
H20E H 0.2129 -0.0630 0.0303 0.043 Uiso 1 1 calc GR . . . .
H20F H 0.2866 -0.0700 0.1288 0.043 Uiso 1 1 calc GR . . . .
C203 C 0.1637(11) 0.1810(10) -0.0134(8) 0.025(3) Uani 1 1 d . . . . .
C204 C 0.0286(11) 0.2133(9) -0.0372(7) 0.024(3) Uani 1 1 d . . . . .
H204 H -0.0410 0.2042 0.0070 0.028 Uiso 1 1 calc R . . . .
C205 C -0.0044(10) 0.2573(13) -0.1224(7) 0.028(3) Uani 1 1 d . . . . .
H205 H -0.0955 0.2804 -0.1363 0.034 Uiso 1 1 calc R . . . .
C206 C 0.0943(12) 0.2680(12) -0.1876(8) 0.030(3) Uani 1 1 d . . . . .
H206 H 0.0708 0.2986 -0.2467 0.036 Uiso 1 1 calc R . . . .
C207 C 0.2276(12) 0.2348(14) -0.1687(8) 0.037(4) Uani 1 1 d . . . . .
H207 H 0.2954 0.2412 -0.2145 0.045 Uiso 1 1 calc R . . . .
C208 C 0.2608(12) 0.1916(11) -0.0809(8) 0.033(3) Uani 1 1 d . . . . .
H208 H 0.3522 0.1691 -0.0674 0.040 Uiso 1 1 calc R . . . .
C1' C 0.3659(11) 0.1967(10) 0.3880(7) 0.019(3) Uani 1 1 d . . . . .
C2' C 0.4213(12) 0.2058(10) 0.4950(7) 0.026(3) Uani 1 1 d . . . . .
H2' H 0.5323 0.2224 0.5085 0.031 Uiso 1 1 calc R . . . .
B3' B 0.3775(14) 0.0654(14) 0.4532(9) 0.024(3) Uani 1 1 d . . . . .
H3' H 0.457(11) 0.004(9) 0.441(6) 0.029 Uiso 1 1 d R . . . .
B4' B 0.2317(14) 0.0947(13) 0.3814(10) 0.026(4) Uani 1 1 d . . . . .
H4' H 0.219(11) 0.021(10) 0.312(7) 0.031 Uiso 1 1 d R . . . .
B5' B 0.2037(11) 0.2544(17) 0.3834(9) 0.030(3) Uani 1 1 d . . . . .
H5' H 0.181(10) 0.299(9) 0.316(7) 0.036 Uiso 1 1 d R . . . .
B6' B 0.3279(15) 0.3254(14) 0.4537(9) 0.027(4) Uani 1 1 d . . . . .
H6' H 0.383(10) 0.418(11) 0.424(7) 0.033 Uiso 1 1 d R . . . .
B7' B 0.3371(14) 0.1120(13) 0.5664(10) 0.029(4) Uani 1 1 d . . . . .
H7' H 0.389(11) 0.072(10) 0.626(7) 0.035 Uiso 1 1 d R . . . .
B8' B 0.2147(15) 0.0447(14) 0.4982(10) 0.028(4) Uani 1 1 d . . . . .
H8' H 0.169(11) -0.036(10) 0.505(7) 0.033 Uiso 1 1 d R . . . .
B9' B 0.1041(17) 0.1584(14) 0.4538(10) 0.032(4) Uani 1 1 d . . . . .
H9' H 0.009(12) 0.151(10) 0.442(7) 0.039 Uiso 1 1 d R . . . .
B10' B 0.1644(15) 0.2989(14) 0.4968(11) 0.034(4) Uani 1 1 d . . . . .
H10' H 0.095(12) 0.386(10) 0.509(7) 0.041 Uiso 1 1 d R . . . .
B11' B 0.3107(14) 0.2709(15) 0.5685(10) 0.029(4) Uani 1 1 d . . . . .
H11' H 0.349(11) 0.319(10) 0.619(8) 0.035 Uiso 1 1 d R . . . .
B12' B 0.1708(16) 0.1694(13) 0.5684(11) 0.032(4) Uani 1 1 d . . . . .
H12' H 0.091(11) 0.150(10) 0.623(7) 0.039 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 B2 1.622(16) . ?
C1 C2 1.622(16) . ?
C1 Ni3 2.319(11) . ?
C1 B4 1.655(18) . ?
C1 C4 1.655(18) . ?
C1 B5 1.696(16) . ?
C1 B6 1.715(17) . ?
C1 C1' 1.547(15) . ?
P1 Ni3 2.260(3) . ?
P1 C101 1.800(11) . ?
P1 C102 1.821(10) . ?
P1 C103 1.848(12) . ?
B2 H2 0.87(10) . ?
B2 Ni3 2.079(12) . ?
B2 B6 1.765(18) . ?
B2 B7 1.707(19) . ?
B2 B11 1.697(18) . ?
C2 H2 0.87(10) . ?
C2 Ni3 2.079(12) . ?
C2 B6 1.765(18) . ?
C2 B7 1.707(19) . ?
C2 B11 1.697(18) . ?
P2 Ni3 2.170(3) . ?
P2 C201 1.832(13) . ?
P2 C202 1.821(11) . ?
P2 C203 1.816(12) . ?
Ni3 B4 2.152(15) . ?
Ni3 C4 2.152(15) . ?
Ni3 B7 2.093(15) . ?
Ni3 B8 2.125(13) . ?
B4 H4 1.18(11) . ?
B4 B5 1.798(19) . ?
B4 B8 1.83(2) . ?
B4 B9 1.82(2) . ?
C4 H4 1.18(11) . ?
C4 B5 1.798(19) . ?
C4 B8 1.83(2) . ?
C4 B9 1.82(2) . ?
B5 H5 0.96(10) . ?
B5 B6 1.76(2) . ?
B5 B9 1.77(2) . ?
B5 B10 1.756(19) . ?
B6 H6 0.99(11) . ?
B6 B10 1.743(19) . ?
B6 B11 1.75(2) . ?
B7 H7 1.15(11) . ?
B7 B8 1.803(19) . ?
B7 B11 1.758(19) . ?
B7 B12 1.80(2) . ?
B8 H8 0.96(11) . ?
B8 B9 1.76(2) . ?
B8 B12 1.80(2) . ?
B9 H9 1.01(11) . ?
B9 B10 1.806(19) . ?
B9 B12 1.77(2) . ?
B10 H10 0.96(9) . ?
B10 B11 1.800(18) . ?
B10 B12 1.781(18) . ?
B11 H11A 1.1200 . ?
B11 H11 1.1200 . ?
B11 B12 1.79(2) . ?
B12 H12 1.21(9) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.402(16) . ?
C103 C108 1.395(16) . ?
C104 H104 0.9500 . ?
C104 C105 1.370(16) . ?
C105 H105 0.9500 . ?
C105 C106 1.397(15) . ?
C106 H106 0.9500 . ?
C106 C107 1.395(17) . ?
C107 H107 0.9500 . ?
C107 C108 1.385(16) . ?
C108 H108 0.9500 . ?
C201 H20A 0.9800 . ?
C201 H20B 0.9800 . ?
C201 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?
C203 C204 1.413(15) . ?
C203 C208 1.382(15) . ?
C204 H204 0.9500 . ?
C204 C205 1.368(14) . ?
C205 H205 0.9500 . ?
C205 C206 1.370(14) . ?
C206 H206 0.9500 . ?
C206 C207 1.384(14) . ?
C207 H207 0.9500 . ?
C207 C208 1.399(15) . ?
C208 H208 0.9500 . ?
C1' C2' 1.647(15) . ?
C1' B3' 1.739(17) . ?
C1' B4' 1.737(17) . ?
C1' B5' 1.716(16) . ?
C1' B6' 1.760(18) . ?
C2' H2' 1.1200 . ?
C2' B3' 1.722(18) . ?
C2' B6' 1.716(16) . ?
C2' B7' 1.692(18) . ?
C2' B11' 1.695(17) . ?
B3' H3' 1.06(10) . ?
B3' B4' 1.792(19) . ?
B3' B7' 1.78(2) . ?
B3' B8' 1.75(2) . ?
B4' H4' 1.31(11) . ?
B4' B5' 1.79(2) . ?
B4' B8' 1.80(2) . ?
B4' B9' 1.79(2) . ?
B5' H5' 1.12(11) . ?
B5' B6' 1.77(2) . ?
B5' B9' 1.78(2) . ?
B5' B10' 1.77(2) . ?
B6' H6' 1.24(12) . ?
B6' B10' 1.76(2) . ?
B6' B11' 1.787(19) . ?
B7' H7' 1.09(11) . ?
B7' B8' 1.72(2) . ?
B7' B11' 1.78(2) . ?
B7' B12' 1.75(2) . ?
B8' H8' 1.00(11) . ?
B8' B9' 1.78(2) . ?
B8' B12' 1.78(2) . ?
B9' H9' 0.95(11) . ?
B9' B10' 1.78(2) . ?
B9' B12' 1.79(2) . ?
B10' H10' 1.20(11) . ?
B10' B11' 1.79(2) . ?
B10' B12' 1.77(2) . ?
B11' H11' 0.98(11) . ?
B11' B12' 1.77(2) . ?
B12' H12' 1.14(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B2 C1 Ni3 60.7(6) . . ?
B2 C1 C4 105.1(9) . . ?
B2 C1 B5 110.6(9) . . ?
B2 C1 B6 63.8(8) . . ?
C2 C1 Ni3 60.7(6) . . ?
C2 C1 B4 105.1(9) . . ?
C2 C1 B5 110.6(9) . . ?
C2 C1 B6 63.8(8) . . ?
B4 C1 Ni3 63.0(6) . . ?
B4 C1 B5 64.9(8) . . ?
B4 C1 B6 114.9(9) . . ?
C4 C1 Ni3 63.0(6) . . ?
C4 C1 B5 64.9(8) . . ?
C4 C1 B6 114.9(9) . . ?
B5 C1 Ni3 120.9(7) . . ?
B5 C1 B6 62.3(8) . . ?
B6 C1 Ni3 120.3(8) . . ?
C1' C1 B2 122.7(9) . . ?
C1' C1 C2 122.7(9) . . ?
C1' C1 Ni3 111.4(7) . . ?
C1' C1 B4 121.2(10) . . ?
C1' C1 C4 121.2(10) . . ?
C1' C1 B5 118.2(9) . . ?
C1' C1 B6 115.8(9) . . ?
C101 P1 Ni3 121.8(4) . . ?
C101 P1 C102 102.7(5) . . ?
C101 P1 C103 101.2(6) . . ?
C102 P1 Ni3 110.6(4) . . ?
C102 P1 C103 103.1(5) . . ?
C103 P1 Ni3 115.4(4) . . ?
C1 B2 H2 105(7) . . ?
C1 B2 Ni3 76.5(6) . . ?
C1 B2 B6 60.7(7) . . ?
C1 B2 B7 118.0(10) . . ?
C1 B2 B11 111.5(10) . . ?
Ni3 B2 H2 113(7) . . ?
B6 B2 H2 99(7) . . ?
B6 B2 Ni3 131.8(8) . . ?
B7 B2 H2 134(7) . . ?
B7 B2 Ni3 66.3(7) . . ?
B7 B2 B6 114.3(10) . . ?
B11 B2 H2 116(7) . . ?
B11 B2 Ni3 124.8(8) . . ?
B11 B2 B6 60.8(8) . . ?
B11 B2 B7 62.2(8) . . ?
C1 C2 H2 105(7) . . ?
C1 C2 Ni3 76.5(6) . . ?
C1 C2 B6 60.7(7) . . ?
C1 C2 B7 118.0(10) . . ?
C1 C2 B11 111.5(10) . . ?
Ni3 C2 H2 113(7) . . ?
B6 C2 H2 99(7) . . ?
B6 C2 Ni3 131.8(8) . . ?
B7 C2 H2 134(7) . . ?
B7 C2 Ni3 66.3(7) . . ?
B7 C2 B6 114.3(10) . . ?
B11 C2 H2 116(7) . . ?
B11 C2 Ni3 124.8(8) . . ?
B11 C2 B6 60.8(8) . . ?
B11 C2 B7 62.2(8) . . ?
C201 P2 Ni3 119.3(4) . . ?
C202 P2 Ni3 117.7(4) . . ?
C202 P2 C201 100.5(6) . . ?
C203 P2 Ni3 112.0(4) . . ?
C203 P2 C201 104.2(5) . . ?
C203 P2 C202 100.7(5) . . ?
P1 Ni3 C1 123.3(3) . . ?
B2 Ni3 C1 42.8(4) . . ?
B2 Ni3 P1 93.9(3) . . ?
B2 Ni3 P2 168.6(4) . . ?
B2 Ni3 C4 75.8(6) . . ?
B2 Ni3 B7 48.3(5) . . ?
B2 Ni3 B8 80.9(5) . . ?
C2 Ni3 C1 42.8(4) . . ?
C2 Ni3 P1 93.9(3) . . ?
C2 Ni3 P2 168.6(4) . . ?
C2 Ni3 B4 75.8(6) . . ?
C2 Ni3 B7 48.3(5) . . ?
C2 Ni3 B8 80.9(5) . . ?
P2 Ni3 C1 125.8(3) . . ?
P2 Ni3 P1 95.18(13) . . ?
B4 Ni3 C1 43.3(5) . . ?
B4 Ni3 P1 166.4(4) . . ?
B4 Ni3 P2 94.1(4) . . ?
C4 Ni3 C1 43.3(5) . . ?
C4 Ni3 P1 166.4(4) . . ?
C4 Ni3 P2 94.1(4) . . ?
B7 Ni3 C1 80.4(5) . . ?
B7 Ni3 P1 95.2(5) . . ?
B7 Ni3 P2 137.1(4) . . ?
B7 Ni3 B4 84.7(6) . . ?
B7 Ni3 C4 84.7(6) . . ?
B7 Ni3 B8 50.6(5) . . ?
B8 Ni3 C1 80.1(5) . . ?
B8 Ni3 P1 137.5(4) . . ?
B8 Ni3 P2 96.8(4) . . ?
B8 Ni3 B4 50.6(6) . . ?
B8 Ni3 C4 50.6(6) . . ?
C1 B4 Ni3 73.8(7) . . ?
C1 B4 H4 109(5) . . ?
C1 B4 B5 58.7(7) . . ?
C1 B4 B8 110.4(11) . . ?
C1 B4 B9 105.3(10) . . ?
Ni3 B4 H4 115(5) . . ?
B5 B4 Ni3 125.0(9) . . ?
B5 B4 H4 106(5) . . ?
B5 B4 B8 106.9(10) . . ?
B5 B4 B9 58.7(8) . . ?
B8 B4 Ni3 63.9(7) . . ?
B8 B4 H4 138(5) . . ?
B9 B4 Ni3 116.8(9) . . ?
B9 B4 H4 123(5) . . ?
B9 B4 B8 57.6(8) . . ?
C1 C4 Ni3 73.8(7) . . ?
C1 C4 H4 109(5) . . ?
C1 C4 B5 58.7(7) . . ?
C1 C4 B8 110.4(11) . . ?
C1 C4 B9 105.3(10) . . ?
Ni3 C4 H4 115(5) . . ?
B5 C4 Ni3 125.0(9) . . ?
B5 C4 H4 106(5) . . ?
B5 C4 B8 106.9(10) . . ?
B5 C4 B9 58.7(8) . . ?
B8 C4 Ni3 63.9(7) . . ?
B8 C4 H4 138(5) . . ?
B9 C4 Ni3 116.8(9) . . ?
B9 C4 H4 123(5) . . ?
B9 C4 B8 57.6(8) . . ?
C1 B5 B4 56.4(7) . . ?
C1 B5 C4 56.4(7) . . ?
C1 B5 H5 114(6) . . ?
C1 B5 B6 59.4(7) . . ?
C1 B5 B9 105.6(9) . . ?
C1 B5 B10 106.2(10) . . ?
B4 B5 H5 117(7) . . ?
C4 B5 H5 117(7) . . ?
B6 B5 B4 105.8(10) . . ?
B6 B5 C4 105.8(10) . . ?
B6 B5 H5 120(7) . . ?
B6 B5 B9 108.1(11) . . ?
B9 B5 B4 61.2(8) . . ?
B9 B5 C4 61.2(8) . . ?
B9 B5 H5 129(7) . . ?
B10 B5 B4 109.2(10) . . ?
B10 B5 C4 109.2(10) . . ?
B10 B5 H5 131(6) . . ?
B10 B5 B6 59.3(8) . . ?
B10 B5 B9 61.6(8) . . ?
C1 B6 B2 55.5(7) . . ?
C1 B6 C2 55.5(7) . . ?
C1 B6 B5 58.3(7) . . ?
C1 B6 H6 118(7) . . ?
C1 B6 B10 106.0(9) . . ?
C1 B6 B11 104.6(10) . . ?
B2 B6 H6 115(7) . . ?
C2 B6 H6 115(7) . . ?
B5 B6 B2 101.3(9) . . ?
B5 B6 C2 101.3(9) . . ?
B5 B6 H6 131(7) . . ?
B10 B6 B2 104.2(9) . . ?
B10 B6 C2 104.2(9) . . ?
B10 B6 B5 60.1(7) . . ?
B10 B6 H6 132(7) . . ?
B10 B6 B11 62.0(8) . . ?
B11 B6 B2 57.7(8) . . ?
B11 B6 C2 57.7(8) . . ?
B11 B6 B5 108.3(10) . . ?
B11 B6 H6 118(7) . . ?
B2 B7 Ni3 65.4(7) . . ?
B2 B7 H7 124(5) . . ?
B2 B7 B8 102.0(11) . . ?
B2 B7 B11 58.7(8) . . ?
B2 B7 B12 103.3(10) . . ?
C2 B7 Ni3 65.4(7) . . ?
C2 B7 H7 124(5) . . ?
C2 B7 B8 102.0(11) . . ?
C2 B7 B11 58.7(8) . . ?
C2 B7 B12 103.3(10) . . ?
Ni3 B7 H7 117(5) . . ?
B8 B7 Ni3 65.6(7) . . ?
B8 B7 H7 131(5) . . ?
B11 B7 Ni3 120.7(9) . . ?
B11 B7 H7 109(5) . . ?
B11 B7 B8 107.7(12) . . ?
B11 B7 B12 60.2(8) . . ?
B12 B7 Ni3 120.1(10) . . ?
B12 B7 H7 116(5) . . ?
B12 B7 B8 59.8(9) . . ?
Ni3 B8 H8 119(6) . . ?
B4 B8 Ni3 65.4(6) . . ?
B4 B8 H8 119(6) . . ?
C4 B8 Ni3 65.4(6) . . ?
C4 B8 H8 119(6) . . ?
B7 B8 Ni3 63.8(7) . . ?
B7 B8 B4 103.9(11) . . ?
B7 B8 C4 103.9(11) . . ?
B7 B8 H8 134(6) . . ?
B9 B8 Ni3 121.0(9) . . ?
B9 B8 B4 60.9(8) . . ?
B9 B8 C4 60.9(8) . . ?
B9 B8 B7 107.5(12) . . ?
B9 B8 H8 107(7) . . ?
B9 B8 B12 59.7(8) . . ?
B12 B8 Ni3 118.7(9) . . ?
B12 B8 B4 106.3(10) . . ?
B12 B8 C4 106.3(10) . . ?
B12 B8 B7 60.1(9) . . ?
B12 B8 H8 117(6) . . ?
B4 B9 H9 125(6) . . ?
C4 B9 H9 125(6) . . ?
B5 B9 B4 60.1(8) . . ?
B5 B9 C4 60.1(8) . . ?
B5 B9 H9 129(6) . . ?
B5 B9 B10 58.8(8) . . ?
B8 B9 B4 61.5(8) . . ?
B8 B9 C4 61.5(8) . . ?
B8 B9 B5 111.2(10) . . ?
B8 B9 H9 114(6) . . ?
B8 B9 B10 109.7(11) . . ?
B8 B9 B12 61.3(8) . . ?
B10 B9 B4 106.2(10) . . ?
B10 B9 C4 106.2(10) . . ?
B10 B9 H9 124(6) . . ?
B12 B9 B4 108.0(10) . . ?
B12 B9 C4 108.0(10) . . ?
B12 B9 B5 107.8(10) . . ?
B12 B9 H9 115(6) . . ?
B12 B9 B10 59.7(7) . . ?
B5 B10 B9 59.7(8) . . ?
B5 B10 H10 122(6) . . ?
B5 B10 B11 106.5(9) . . ?
B5 B10 B12 108.0(9) . . ?
B6 B10 B5 60.6(8) . . ?
B6 B10 B9 107.6(9) . . ?
B6 B10 H10 119(6) . . ?
B6 B10 B11 59.3(8) . . ?
B6 B10 B12 108.7(9) . . ?
B9 B10 H10 125(6) . . ?
B11 B10 B9 105.2(9) . . ?
B11 B10 H10 122(6) . . ?
B12 B10 B9 59.1(8) . . ?
B12 B10 H10 122(6) . . ?
B12 B10 B11 59.8(8) . . ?
B2 B11 B6 61.5(8) . . ?
B2 B11 B7 59.2(8) . . ?
B2 B11 B10 104.6(10) . . ?
B2 B11 H11A 124.4 . . ?
B2 B11 B12 104.4(9) . . ?
C2 B11 B6 61.5(8) . . ?
C2 B11 B7 59.2(8) . . ?
C2 B11 B10 104.6(10) . . ?
C2 B11 H11 124.4 . . ?
C2 B11 B12 104.4(9) . . ?
B6 B11 B7 112.3(10) . . ?
B6 B11 B10 58.7(8) . . ?
B6 B11 H11A 119.7 . . ?
B6 B11 H11 119.7 . . ?
B6 B11 B12 108.0(10) . . ?
B7 B11 B10 109.7(10) . . ?
B7 B11 H11A 119.0 . . ?
B7 B11 H11 119.0 . . ?
B7 B11 B12 61.2(8) . . ?
B10 B11 H11A 123.0 . . ?
B10 B11 H11 123.0 . . ?
B12 B11 B10 59.5(8) . . ?
B12 B11 H11A 122.9 . . ?
B12 B11 H11 122.9 . . ?
B7 B12 H12 116(5) . . ?
B8 B12 B7 60.1(7) . . ?
B8 B12 H12 122(5) . . ?
B9 B12 B7 107.0(10) . . ?
B9 B12 B8 59.0(9) . . ?
B9 B12 B10 61.1(8) . . ?
B9 B12 B11 107.4(9) . . ?
B9 B12 H12 129(5) . . ?
B10 B12 B7 108.6(9) . . ?
B10 B12 B8 109.1(10) . . ?
B10 B12 B11 60.6(7) . . ?
B10 B12 H12 124(4) . . ?
B11 B12 B7 58.7(8) . . ?
B11 B12 B8 106.7(9) . . ?
B11 B12 H12 118(5) . . ?
P1 C101 H10A 109.5 . . ?
P1 C101 H10B 109.5 . . ?
P1 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
P1 C102 H10D 109.5 . . ?
P1 C102 H10E 109.5 . . ?
P1 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 P1 120.5(9) . . ?
C108 C103 P1 120.8(9) . . ?
C108 C103 C104 118.6(11) . . ?
C103 C104 H104 119.6 . . ?
C105 C104 C103 120.9(11) . . ?
C105 C104 H104 119.6 . . ?
C104 C105 H105 120.1 . . ?
C104 C105 C106 119.9(11) . . ?
C106 C105 H105 120.1 . . ?
C105 C106 H106 119.8 . . ?
C107 C106 C105 120.4(12) . . ?
C107 C106 H106 119.8 . . ?
C106 C107 H107 120.5 . . ?
C108 C107 C106 119.0(12) . . ?
C108 C107 H107 120.5 . . ?
C103 C108 H108 119.4 . . ?
C107 C108 C103 121.2(12) . . ?
C107 C108 H108 119.4 . . ?
P2 C201 H20A 109.5 . . ?
P2 C201 H20B 109.5 . . ?
P2 C201 H20C 109.5 . . ?
H20A C201 H20B 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
P2 C202 H20D 109.5 . . ?
P2 C202 H20E 109.5 . . ?
P2 C202 H20F 109.5 . . ?
H20D C202 H20E 109.5 . . ?
H20D C202 H20F 109.5 . . ?
H20E C202 H20F 109.5 . . ?
C204 C203 P2 122.7(8) . . ?
C208 C203 P2 120.1(9) . . ?
C208 C203 C204 117.2(11) . . ?
C203 C204 H204 119.2 . . ?
C205 C204 C203 121.6(10) . . ?
C205 C204 H204 119.2 . . ?
C204 C205 H205 120.1 . . ?
C204 C205 C206 119.9(10) . . ?
C206 C205 H205 120.1 . . ?
C205 C206 H206 119.5 . . ?
C205 C206 C207 120.9(11) . . ?
C207 C206 H206 119.5 . . ?
C206 C207 H207 120.6 . . ?
C206 C207 C208 118.8(10) . . ?
C208 C207 H207 120.6 . . ?
C203 C208 C207 121.6(11) . . ?
C203 C208 H208 119.2 . . ?
C207 C208 H208 119.2 . . ?
C1 C1' C2' 120.6(9) . . ?
C1 C1' B3' 118.3(9) . . ?
C1 C1' B4' 121.2(9) . . ?
C1 C1' B5' 121.3(9) . . ?
C1 C1' B6' 117.3(9) . . ?
C2' C1' B3' 61.1(7) . . ?
C2' C1' B4' 109.5(9) . . ?
C2' C1' B5' 108.0(8) . . ?
C2' C1' B6' 60.4(6) . . ?
B3' C1' B6' 113.2(8) . . ?
B4' C1' B3' 62.1(7) . . ?
B4' C1' B6' 113.1(8) . . ?
B5' C1' B3' 112.8(10) . . ?
B5' C1' B4' 62.5(8) . . ?
B5' C1' B6' 61.1(8) . . ?
C1' C2' H2' 119.0 . . ?
C1' C2' B3' 62.1(7) . . ?
C1' C2' B6' 63.1(7) . . ?
C1' C2' B7' 112.7(9) . . ?
C1' C2' B11' 114.6(9) . . ?
B3' C2' H2' 116.7 . . ?
B6' C2' H2' 116.6 . . ?
B6' C2' B3' 116.3(9) . . ?
B7' C2' H2' 118.3 . . ?
B7' C2' B3' 62.7(8) . . ?
B7' C2' B6' 115.3(10) . . ?
B7' C2' B11' 63.4(8) . . ?
B11' C2' H2' 116.6 . . ?
B11' C2' B3' 116.7(10) . . ?
B11' C2' B6' 63.2(8) . . ?
C1' B3' H3' 120(6) . . ?
C1' B3' B4' 58.9(7) . . ?
C1' B3' B7' 104.4(10) . . ?
C1' B3' B8' 105.1(10) . . ?
C2' B3' C1' 56.8(7) . . ?
C2' B3' H3' 117(6) . . ?
C2' B3' B4' 103.7(10) . . ?
C2' B3' B7' 57.8(7) . . ?
C2' B3' B8' 102.2(10) . . ?
B4' B3' H3' 128(5) . . ?
B7' B3' H3' 121(5) . . ?
B7' B3' B4' 107.6(10) . . ?
B8' B3' H3' 131(6) . . ?
B8' B3' B4' 61.0(8) . . ?
B8' B3' B7' 58.4(8) . . ?
C1' B4' B3' 59.0(7) . . ?
C1' B4' H4' 121(5) . . ?
C1' B4' B5' 58.2(7) . . ?
C1' B4' B8' 103.1(9) . . ?
C1' B4' B9' 104.3(9) . . ?
B3' B4' H4' 114(5) . . ?
B3' B4' B8' 58.3(8) . . ?
B5' B4' B3' 106.9(10) . . ?
B5' B4' H4' 128(5) . . ?
B5' B4' B8' 105.8(10) . . ?
B5' B4' B9' 59.5(8) . . ?
B8' B4' H4' 122(5) . . ?
B9' B4' B3' 106.7(10) . . ?
B9' B4' H4' 130(5) . . ?
B9' B4' B8' 59.4(8) . . ?
C1' B5' B4' 59.4(8) . . ?
C1' B5' H5' 112(5) . . ?
C1' B5' B6' 60.7(7) . . ?
C1' B5' B9' 105.7(11) . . ?
C1' B5' B10' 106.3(9) . . ?
B4' B5' H5' 117(5) . . ?
B6' B5' B4' 110.2(10) . . ?
B6' B5' H5' 116(5) . . ?
B6' B5' B9' 108.2(10) . . ?
B6' B5' B10' 59.5(8) . . ?
B9' B5' B4' 60.3(9) . . ?
B9' B5' H5' 132(5) . . ?
B10' B5' B4' 109.0(10) . . ?
B10' B5' H5' 130(6) . . ?
B10' B5' B9' 60.1(8) . . ?
C1' B6' B5' 58.2(8) . . ?
C1' B6' H6' 113(5) . . ?
C1' B6' B11' 105.0(10) . . ?
C2' B6' C1' 56.6(7) . . ?
C2' B6' B5' 102.8(11) . . ?
C2' B6' H6' 122(5) . . ?
C2' B6' B10' 103.5(10) . . ?
C2' B6' B11' 57.8(7) . . ?
B5' B6' H6' 118(5) . . ?
B5' B6' B11' 108.6(11) . . ?
B10' B6' C1' 105.0(10) . . ?
B10' B6' B5' 60.3(8) . . ?
B10' B6' H6' 132(5) . . ?
B10' B6' B11' 60.8(8) . . ?
B11' B6' H6' 131(5) . . ?
C2' B7' B3' 59.5(8) . . ?
C2' B7' H7' 120(6) . . ?
C2' B7' B8' 104.7(11) . . ?
C2' B7' B11' 58.4(7) . . ?
C2' B7' B12' 104.5(10) . . ?
B3' B7' H7' 121(6) . . ?
B3' B7' B11' 109.8(10) . . ?
B8' B7' B3' 60.0(8) . . ?
B8' B7' H7' 127(6) . . ?
B8' B7' B11' 109.8(11) . . ?
B8' B7' B12' 61.5(9) . . ?
B11' B7' H7' 117(6) . . ?
B12' B7' B3' 109.8(11) . . ?
B12' B7' H7' 124(6) . . ?
B12' B7' B11' 60.3(8) . . ?
B3' B8' B4' 60.7(8) . . ?
B3' B8' H8' 125(6) . . ?
B3' B8' B9' 109.1(11) . . ?
B3' B8' B12' 110.1(11) . . ?
B4' B8' H8' 115(6) . . ?
B7' B8' B3' 61.6(8) . . ?
B7' B8' B4' 109.9(10) . . ?
B7' B8' H8' 129(6) . . ?
B7' B8' B9' 108.8(11) . . ?
B7' B8' B12' 60.2(8) . . ?
B9' B8' B4' 60.1(8) . . ?
B9' B8' H8' 113(6) . . ?
B12' B8' B4' 109.3(11) . . ?
B12' B8' H8' 121(6) . . ?
B12' B8' B9' 60.4(9) . . ?
B4' B9' H9' 124(7) . . ?
B5' B9' B4' 60.2(9) . . ?
B5' B9' B8' 107.2(11) . . ?
B5' B9' H9' 119(7) . . ?
B5' B9' B12' 107.4(11) . . ?
B8' B9' B4' 60.5(8) . . ?
B8' B9' H9' 127(7) . . ?
B8' B9' B12' 59.7(9) . . ?
B10' B9' B4' 108.7(10) . . ?
B10' B9' B5' 59.7(9) . . ?
B10' B9' B8' 107.1(10) . . ?
B10' B9' H9' 117(7) . . ?
B10' B9' B12' 59.7(8) . . ?
B12' B9' B4' 109.0(12) . . ?
B12' B9' H9' 121(7) . . ?
B5' B10' B9' 60.2(9) . . ?
B5' B10' H10' 120(5) . . ?
B5' B10' B11' 108.2(9) . . ?
B5' B10' B12' 108.5(11) . . ?
B6' B10' B5' 60.2(8) . . ?
B6' B10' B9' 108.8(11) . . ?
B6' B10' H10' 116(5) . . ?
B6' B10' B11' 60.5(8) . . ?
B6' B10' B12' 108.6(10) . . ?
B9' B10' H10' 125(5) . . ?
B9' B10' B11' 108.4(11) . . ?
B11' B10' H10' 120(5) . . ?
B12' B10' B9' 60.5(9) . . ?
B12' B10' H10' 125(5) . . ?
B12' B10' B11' 59.7(9) . . ?
C2' B11' B6' 59.0(7) . . ?
C2' B11' B7' 58.2(8) . . ?
C2' B11' B10' 102.7(10) . . ?
C2' B11' H11' 117(7) . . ?
C2' B11' B12' 103.4(11) . . ?
B6' B11' B10' 58.7(8) . . ?
B6' B11' H11' 119(7) . . ?
B7' B11' B6' 107.6(11) . . ?
B7' B11' B10' 106.1(11) . . ?
B7' B11' H11' 119(7) . . ?
B10' B11' H11' 130(7) . . ?
B12' B11' B6' 107.2(11) . . ?
B12' B11' B7' 59.1(8) . . ?
B12' B11' B10' 59.6(9) . . ?
B12' B11' H11' 129(7) . . ?
B7' B12' B8' 58.3(8) . . ?
B7' B12' B9' 106.8(11) . . ?
B7' B12' B10' 108.0(11) . . ?
B7' B12' B11' 60.6(8) . . ?
B7' B12' H12' 126(6) . . ?
B8' B12' B9' 59.9(9) . . ?
B8' B12' H12' 115(6) . . ?
B9' B12' H12' 113(6) . . ?
B10' B12' B8' 107.3(10) . . ?
B10' B12' B9' 59.8(8) . . ?
B10' B12' B11' 60.7(8) . . ?
B10' B12' H12' 123(6) . . ?
B11' B12' B8' 107.5(11) . . ?
B11' B12' B9' 108.6(10) . . ?
B11' B12' H12' 131(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 B2 B6 B5 38.1(8) . . . . ?
C1 B2 B6 B10 99.9(10) . . . . ?
C1 B2 B6 B11 142.7(10) . . . . ?
C1 B2 B7 Ni3 58.5(9) . . . . ?
C1 B2 B7 B8 2.6(14) . . . . ?
C1 B2 B7 B11 -100.9(11) . . . . ?
C1 B2 B7 B12 -58.8(13) . . . . ?
C1 B2 B11 B6 -34.6(9) . . . . ?
C1 B2 B11 B7 111.2(11) . . . . ?
C1 B2 B11 B10 6.7(12) . . . . ?
C1 B2 B11 B12 68.4(12) . . . . ?
C1 C2 B6 B5 38.1(8) . . . . ?
C1 C2 B6 B10 99.9(10) . . . . ?
C1 C2 B6 B11 142.7(10) . . . . ?
C1 C2 B7 Ni3 58.5(9) . . . . ?
C1 C2 B7 B8 2.6(14) . . . . ?
C1 C2 B7 B11 -100.9(11) . . . . ?
C1 C2 B7 B12 -58.8(13) . . . . ?
C1 C2 B11 B6 -34.6(9) . . . . ?
C1 C2 B11 B7 111.2(11) . . . . ?
C1 C2 B11 B10 6.7(12) . . . . ?
C1 C2 B11 B12 68.4(12) . . . . ?
C1 B4 B5 B6 -34.7(9) . . . . ?
C1 B4 B5 B9 -137.0(11) . . . . ?
C1 B4 B5 B10 -97.1(11) . . . . ?
C1 B4 B8 Ni3 -59.1(8) . . . . ?
C1 B4 B8 B7 -6.9(13) . . . . ?
C1 B4 B8 B9 95.6(11) . . . . ?
C1 B4 B8 B12 55.5(13) . . . . ?
C1 B4 B9 B5 37.1(9) . . . . ?
C1 B4 B9 B8 -104.8(11) . . . . ?
C1 B4 B9 B10 -0.7(13) . . . . ?
C1 B4 B9 B12 -63.5(12) . . . . ?
C1 C4 B5 B6 -34.7(9) . . . . ?
C1 C4 B5 B9 -137.0(11) . . . . ?
C1 C4 B5 B10 -97.1(11) . . . . ?
C1 C4 B8 Ni3 -59.1(8) . . . . ?
C1 C4 B8 B7 -6.9(13) . . . . ?
C1 C4 B8 B9 95.6(11) . . . . ?
C1 C4 B8 B12 55.5(13) . . . . ?
C1 C4 B9 B5 37.1(9) . . . . ?
C1 C4 B9 B8 -104.8(11) . . . . ?
C1 C4 B9 B10 -0.7(13) . . . . ?
C1 C4 B9 B12 -63.5(12) . . . . ?
C1 B5 B6 B2 -36.7(8) . . . . ?
C1 B5 B6 C2 -36.7(8) . . . . ?
C1 B5 B6 B10 -136.7(10) . . . . ?
C1 B5 B6 B11 -96.2(10) . . . . ?
C1 B5 B9 B4 -36.1(9) . . . . ?
C1 B5 B9 C4 -36.1(9) . . . . ?
C1 B5 B9 B8 -0.5(14) . . . . ?
C1 B5 B9 B10 100.3(10) . . . . ?
C1 B5 B9 B12 64.8(12) . . . . ?
C1 B5 B10 B6 37.9(9) . . . . ?
C1 B5 B10 B9 -99.2(10) . . . . ?
C1 B5 B10 B11 -0.9(12) . . . . ?
C1 B5 B10 B12 -63.9(11) . . . . ?
C1 B6 B10 B5 -37.4(8) . . . . ?
C1 B6 B10 B9 0.7(12) . . . . ?
C1 B6 B10 B11 98.3(10) . . . . ?
C1 B6 B10 B12 63.3(12) . . . . ?
C1 B6 B11 B2 31.1(8) . . . . ?
C1 B6 B11 C2 31.1(8) . . . . ?
C1 B6 B11 B7 -0.4(13) . . . . ?
C1 B6 B11 B10 -100.6(10) . . . . ?
C1 B6 B11 B12 -65.9(11) . . . . ?
C1 C1' C2' B3' -107.6(11) . . . . ?
C1 C1' C2' B6' 106.1(11) . . . . ?
C1 C1' C2' B7' -146.1(10) . . . . ?
C1 C1' C2' B11' 143.9(10) . . . . ?
C1 C1' B3' C2' 111.2(10) . . . . ?
C1 C1' B3' B4' -112.3(10) . . . . ?
C1 C1' B3' B7' 145.6(10) . . . . ?
C1 C1' B3' B8' -153.9(10) . . . . ?
C1 C1' B4' B3' 107.9(11) . . . . ?
C1 C1' B4' B5' -111.7(11) . . . . ?
C1 C1' B4' B8' 147.7(10) . . . . ?
C1 C1' B4' B9' -151.0(10) . . . . ?
C1 C1' B5' B4' 111.5(11) . . . . ?
C1 C1' B5' B6' -106.1(11) . . . . ?
C1 C1' B5' B9' 151.5(10) . . . . ?
C1 C1' B5' B10' -145.7(10) . . . . ?
C1 C1' B6' C2' -111.4(10) . . . . ?
C1 C1' B6' B5' 112.5(11) . . . . ?
C1 C1' B6' B10' 152.2(9) . . . . ?
C1 C1' B6' B11' -144.6(9) . . . . ?
P1 C103 C104 C105 177.4(8) . . . . ?
P1 C103 C108 C107 -178.6(10) . . . . ?
B2 C1 C4 Ni3 -45.1(7) . . . . ?
B2 C1 C4 B5 106.1(10) . . . . ?
B2 C1 C4 B8 8.3(12) . . . . ?
B2 C1 C4 B9 68.9(11) . . . . ?
B2 C1 B5 C4 -97.5(10) . . . . ?
B2 C1 B5 B6 43.0(9) . . . . ?
B2 C1 B5 B9 -59.1(12) . . . . ?
B2 C1 B5 B10 5.1(12) . . . . ?
B2 C1 B6 B5 -134.6(10) . . . . ?
B2 C1 B6 B10 -96.5(10) . . . . ?
B2 C1 B6 B11 -31.9(9) . . . . ?
B2 C1 C1' C2' -95.2(13) . . . . ?
B2 C1 C1' B3' -166.5(10) . . . . ?
B2 C1 C1' B4' 120.7(11) . . . . ?
B2 C1 C1' B5' 46.1(16) . . . . ?
B2 C1 C1' B6' -25.1(15) . . . . ?
B2 B6 B10 B5 -95.0(10) . . . . ?
B2 B6 B10 B9 -57.0(11) . . . . ?
B2 B6 B10 B11 40.6(9) . . . . ?
B2 B6 B10 B12 5.6(12) . . . . ?
B2 B6 B11 B7 -31.4(9) . . . . ?
B2 B6 B11 B10 -131.7(10) . . . . ?
B2 B6 B11 B12 -96.9(10) . . . . ?
B2 B7 B8 Ni3 55.7(8) . . . . ?
B2 B7 B8 C4 2.6(13) . . . . ?
B2 B7 B8 B9 -60.8(13) . . . . ?
B2 B7 B8 B12 -98.5(10) . . . . ?
B2 B7 B11 B6 32.3(10) . . . . ?
B2 B7 B11 B10 95.6(10) . . . . ?
B2 B7 B11 B12 131.2(10) . . . . ?
B2 B7 B12 B8 96.3(11) . . . . ?
B2 B7 B12 B9 59.1(12) . . . . ?
B2 B7 B12 B10 -5.5(13) . . . . ?
B2 B7 B12 B11 -41.3(9) . . . . ?
B2 B11 B12 B7 41.8(9) . . . . ?
B2 B11 B12 B8 4.2(13) . . . . ?
B2 B11 B12 B9 -57.8(11) . . . . ?
B2 B11 B12 B10 -98.7(10) . . . . ?
C2 C1 B4 Ni3 -45.1(7) . . . . ?
C2 C1 B4 B5 106.1(10) . . . . ?
C2 C1 B4 B8 8.3(12) . . . . ?
C2 C1 B4 B9 68.9(11) . . . . ?
C2 C1 B5 B4 -97.5(10) . . . . ?
C2 C1 B5 B6 43.0(9) . . . . ?
C2 C1 B5 B9 -59.1(12) . . . . ?
C2 C1 B5 B10 5.1(12) . . . . ?
C2 C1 B6 B5 -134.6(10) . . . . ?
C2 C1 B6 B10 -96.5(10) . . . . ?
C2 C1 B6 B11 -31.9(9) . . . . ?
C2 C1 C1' C2' -95.2(13) . . . . ?
C2 C1 C1' B3' -166.5(10) . . . . ?
C2 C1 C1' B4' 120.7(11) . . . . ?
C2 C1 C1' B5' 46.1(16) . . . . ?
C2 C1 C1' B6' -25.1(15) . . . . ?
C2 B6 B10 B5 -95.0(10) . . . . ?
C2 B6 B10 B9 -57.0(11) . . . . ?
C2 B6 B10 B11 40.6(9) . . . . ?
C2 B6 B10 B12 5.6(12) . . . . ?
C2 B6 B11 B7 -31.4(9) . . . . ?
C2 B6 B11 B10 -131.7(10) . . . . ?
C2 B6 B11 B12 -96.9(10) . . . . ?
C2 B7 B8 Ni3 55.7(8) . . . . ?
C2 B7 B8 B4 2.6(13) . . . . ?
C2 B7 B8 B9 -60.8(13) . . . . ?
C2 B7 B8 B12 -98.5(10) . . . . ?
C2 B7 B11 B6 32.3(10) . . . . ?
C2 B7 B11 B10 95.6(10) . . . . ?
C2 B7 B11 B12 131.2(10) . . . . ?
C2 B7 B12 B8 96.3(11) . . . . ?
C2 B7 B12 B9 59.1(12) . . . . ?
C2 B7 B12 B10 -5.5(13) . . . . ?
C2 B7 B12 B11 -41.3(9) . . . . ?
C2 B11 B12 B7 41.8(9) . . . . ?
C2 B11 B12 B8 4.2(13) . . . . ?
C2 B11 B12 B9 -57.8(11) . . . . ?
C2 B11 B12 B10 -98.7(10) . . . . ?
P2 C203 C204 C205 178.0(10) . . . . ?
P2 C203 C208 C207 -179.0(10) . . . . ?
Ni3 C1 B2 B6 -157.0(7) . . . . ?
Ni3 C1 B2 B7 -53.4(9) . . . . ?
Ni3 C1 B2 B11 -122.4(9) . . . . ?
Ni3 C1 C2 B6 -157.0(7) . . . . ?
Ni3 C1 C2 B7 -53.4(9) . . . . ?
Ni3 C1 C2 B11 -122.4(9) . . . . ?
Ni3 C1 B4 B5 151.2(8) . . . . ?
Ni3 C1 B4 B8 53.4(8) . . . . ?
Ni3 C1 B4 B9 114.0(9) . . . . ?
Ni3 C1 C4 B5 151.2(8) . . . . ?
Ni3 C1 C4 B8 53.4(8) . . . . ?
Ni3 C1 C4 B9 114.0(9) . . . . ?
Ni3 C1 B5 B4 -30.1(8) . . . . ?
Ni3 C1 B5 C4 -30.1(8) . . . . ?
Ni3 C1 B5 B6 110.4(9) . . . . ?
Ni3 C1 B5 B9 8.3(12) . . . . ?
Ni3 C1 B5 B10 72.5(11) . . . . ?
Ni3 C1 B6 B2 23.2(7) . . . . ?
Ni3 C1 B6 C2 23.2(7) . . . . ?
Ni3 C1 B6 B5 -111.4(9) . . . . ?
Ni3 C1 B6 B10 -73.2(10) . . . . ?
Ni3 C1 B6 B11 -8.7(11) . . . . ?
Ni3 C1 C1' C2' -163.2(8) . . . . ?
Ni3 C1 C1' B3' 125.4(8) . . . . ?
Ni3 C1 C1' B4' 52.6(11) . . . . ?
Ni3 C1 C1' B5' -22.0(13) . . . . ?
Ni3 C1 C1' B6' -93.2(9) . . . . ?
Ni3 P1 C103 C104 86.3(9) . . . . ?
Ni3 P1 C103 C108 -96.7(10) . . . . ?
Ni3 B2 B6 C1 -30.6(10) . . . . ?
Ni3 B2 B6 B5 7.5(14) . . . . ?
Ni3 B2 B6 B10 69.3(13) . . . . ?
Ni3 B2 B6 B11 112.1(11) . . . . ?
Ni3 B2 B7 B8 -55.9(8) . . . . ?
Ni3 B2 B7 B11 -159.4(9) . . . . ?
Ni3 B2 B7 B12 -117.3(10) . . . . ?
Ni3 B2 B11 B6 -122.7(10) . . . . ?
Ni3 B2 B11 B7 23.1(10) . . . . ?
Ni3 B2 B11 B10 -81.5(11) . . . . ?
Ni3 B2 B11 B12 -19.8(13) . . . . ?
Ni3 C2 B6 C1 -30.6(10) . . . . ?
Ni3 C2 B6 B5 7.5(14) . . . . ?
Ni3 C2 B6 B10 69.3(13) . . . . ?
Ni3 C2 B6 B11 112.1(11) . . . . ?
Ni3 C2 B7 B8 -55.9(8) . . . . ?
Ni3 C2 B7 B11 -159.4(9) . . . . ?
Ni3 C2 B7 B12 -117.3(10) . . . . ?
Ni3 C2 B11 B6 -122.7(10) . . . . ?
Ni3 C2 B11 B7 23.1(10) . . . . ?
Ni3 C2 B11 B10 -81.5(11) . . . . ?
Ni3 C2 B11 B12 -19.8(13) . . . . ?
Ni3 P2 C203 C204 -114.8(9) . . . . ?
Ni3 P2 C203 C208 65.5(10) . . . . ?
Ni3 B4 B5 C1 34.4(9) . . . . ?
Ni3 B4 B5 B6 -0.3(14) . . . . ?
Ni3 B4 B5 B9 -102.6(11) . . . . ?
Ni3 B4 B5 B10 -62.7(13) . . . . ?
Ni3 B4 B8 B7 52.2(8) . . . . ?
Ni3 B4 B8 B9 154.7(9) . . . . ?
Ni3 B4 B8 B12 114.6(10) . . . . ?
Ni3 B4 B9 B5 116.4(11) . . . . ?
Ni3 B4 B9 B8 -25.5(9) . . . . ?
Ni3 B4 B9 B10 78.5(11) . . . . ?
Ni3 B4 B9 B12 15.8(13) . . . . ?
Ni3 C4 B5 C1 34.4(9) . . . . ?
Ni3 C4 B5 B6 -0.3(14) . . . . ?
Ni3 C4 B5 B9 -102.6(11) . . . . ?
Ni3 C4 B5 B10 -62.7(13) . . . . ?
Ni3 C4 B8 B7 52.2(8) . . . . ?
Ni3 C4 B8 B9 154.7(9) . . . . ?
Ni3 C4 B8 B12 114.6(10) . . . . ?
Ni3 C4 B9 B5 116.4(11) . . . . ?
Ni3 C4 B9 B8 -25.5(9) . . . . ?
Ni3 C4 B9 B10 78.5(11) . . . . ?
Ni3 C4 B9 B12 15.8(13) . . . . ?
Ni3 B7 B8 B4 -53.2(8) . . . . ?
Ni3 B7 B8 C4 -53.2(8) . . . . ?
Ni3 B7 B8 B9 -116.6(9) . . . . ?
Ni3 B7 B8 B12 -154.2(8) . . . . ?
Ni3 B7 B11 B2 -21.8(9) . . . . ?
Ni3 B7 B11 C2 -21.8(9) . . . . ?
Ni3 B7 B11 B6 10.4(15) . . . . ?
Ni3 B7 B11 B10 73.7(12) . . . . ?
Ni3 B7 B11 B12 109.4(12) . . . . ?
Ni3 B7 B12 B8 27.2(8) . . . . ?
Ni3 B7 B12 B9 -10.0(13) . . . . ?
Ni3 B7 B12 B10 -74.6(12) . . . . ?
Ni3 B7 B12 B11 -110.4(11) . . . . ?
Ni3 B8 B9 B4 27.0(10) . . . . ?
Ni3 B8 B9 C4 27.0(10) . . . . ?
Ni3 B8 B9 B5 -8.0(16) . . . . ?
Ni3 B8 B9 B10 -71.2(13) . . . . ?
Ni3 B8 B9 B12 -107.3(11) . . . . ?
Ni3 B8 B12 B7 -26.4(9) . . . . ?
Ni3 B8 B12 B9 111.2(11) . . . . ?
Ni3 B8 B12 B10 74.6(13) . . . . ?
Ni3 B8 B12 B11 10.6(14) . . . . ?
B4 C1 C2 Ni3 46.3(7) . . . . ?
B4 C1 C2 B6 -110.7(10) . . . . ?
B4 C1 C2 B7 -7.1(13) . . . . ?
B4 C1 C2 B11 -76.0(11) . . . . ?
B4 C1 B5 B6 140.5(11) . . . . ?
B4 C1 B5 B9 38.3(10) . . . . ?
B4 C1 B5 B10 102.6(11) . . . . ?
B4 C1 B6 C2 95.2(11) . . . . ?
B4 C1 B6 B5 -39.4(11) . . . . ?
B4 C1 B6 B10 -1.2(14) . . . . ?
B4 C1 B6 B11 63.3(12) . . . . ?
B4 C1 C1' C2' 126.2(11) . . . . ?
B4 C1 C1' B3' 54.9(14) . . . . ?
B4 C1 C1' B4' -17.9(15) . . . . ?
B4 C1 C1' B5' -92.6(14) . . . . ?
B4 C1 C1' B6' -163.7(10) . . . . ?
B4 B5 B6 C1 33.4(9) . . . . ?
B4 B5 B6 C2 -3.3(12) . . . . ?
B4 B5 B6 B10 -103.3(10) . . . . ?
B4 B5 B6 B11 -62.8(12) . . . . ?
B4 B5 B9 B8 35.6(11) . . . . ?
B4 B5 B9 B10 136.4(10) . . . . ?
B4 B5 B9 B12 100.9(11) . . . . ?
B4 B5 B10 B6 97.4(11) . . . . ?
B4 B5 B10 B9 -39.8(9) . . . . ?
B4 B5 B10 B11 58.5(12) . . . . ?
B4 B5 B10 B12 -4.4(13) . . . . ?
B4 B8 B9 B5 -35.0(10) . . . . ?
B4 B8 B9 B10 -98.2(11) . . . . ?
B4 B8 B9 B12 -134.3(10) . . . . ?
B4 B8 B12 B7 -96.9(12) . . . . ?
B4 B8 B12 B9 40.7(10) . . . . ?
B4 B8 B12 B10 4.1(14) . . . . ?
B4 B8 B12 B11 -59.9(13) . . . . ?
B4 B9 B10 B5 38.5(9) . . . . ?
B4 B9 B10 B6 0.0(13) . . . . ?
B4 B9 B10 B11 -62.0(11) . . . . ?
B4 B9 B10 B12 -101.7(10) . . . . ?
B4 B9 B12 B7 -3.7(13) . . . . ?
B4 B9 B12 B8 -41.4(9) . . . . ?
B4 B9 B12 B10 98.6(10) . . . . ?
B4 B9 B12 B11 58.0(12) . . . . ?
C4 C1 B2 Ni3 46.3(7) . . . . ?
C4 C1 B2 B6 -110.7(10) . . . . ?
C4 C1 B2 B7 -7.1(13) . . . . ?
C4 C1 B2 B11 -76.0(11) . . . . ?
C4 C1 B5 B6 140.5(11) . . . . ?
C4 C1 B5 B9 38.3(10) . . . . ?
C4 C1 B5 B10 102.6(11) . . . . ?
C4 C1 B6 B2 95.2(11) . . . . ?
C4 C1 B6 B5 -39.4(11) . . . . ?
C4 C1 B6 B10 -1.2(14) . . . . ?
C4 C1 B6 B11 63.3(12) . . . . ?
C4 C1 C1' C2' 126.2(11) . . . . ?
C4 C1 C1' B3' 54.9(14) . . . . ?
C4 C1 C1' B4' -17.9(15) . . . . ?
C4 C1 C1' B5' -92.6(14) . . . . ?
C4 C1 C1' B6' -163.7(10) . . . . ?
C4 B5 B6 C1 33.4(9) . . . . ?
C4 B5 B6 B2 -3.3(12) . . . . ?
C4 B5 B6 B10 -103.3(10) . . . . ?
C4 B5 B6 B11 -62.8(12) . . . . ?
C4 B5 B9 B8 35.6(11) . . . . ?
C4 B5 B9 B10 136.4(10) . . . . ?
C4 B5 B9 B12 100.9(11) . . . . ?
C4 B5 B10 B6 97.4(11) . . . . ?
C4 B5 B10 B9 -39.8(9) . . . . ?
C4 B5 B10 B11 58.5(12) . . . . ?
C4 B5 B10 B12 -4.4(13) . . . . ?
C4 B8 B9 B5 -35.0(10) . . . . ?
C4 B8 B9 B10 -98.2(11) . . . . ?
C4 B8 B9 B12 -134.3(10) . . . . ?
C4 B8 B12 B7 -96.9(12) . . . . ?
C4 B8 B12 B9 40.7(10) . . . . ?
C4 B8 B12 B10 4.1(14) . . . . ?
C4 B8 B12 B11 -59.9(13) . . . . ?
C4 B9 B10 B5 38.5(9) . . . . ?
C4 B9 B10 B6 0.0(13) . . . . ?
C4 B9 B10 B11 -62.0(11) . . . . ?
C4 B9 B10 B12 -101.7(10) . . . . ?
C4 B9 B12 B7 -3.7(13) . . . . ?
C4 B9 B12 B8 -41.4(9) . . . . ?
C4 B9 B12 B10 98.6(10) . . . . ?
C4 B9 B12 B11 58.0(12) . . . . ?
B5 C1 B2 Ni3 114.7(8) . . . . ?
B5 C1 B2 B6 -42.3(9) . . . . ?
B5 C1 B2 B7 61.3(13) . . . . ?
B5 C1 B2 B11 -7.7(12) . . . . ?
B5 C1 C2 Ni3 114.7(8) . . . . ?
B5 C1 C2 B6 -42.3(9) . . . . ?
B5 C1 C2 B7 61.3(13) . . . . ?
B5 C1 C2 B11 -7.7(12) . . . . ?
B5 C1 B4 Ni3 -151.2(8) . . . . ?
B5 C1 B4 B8 -97.8(10) . . . . ?
B5 C1 B4 B9 -37.1(9) . . . . ?
B5 C1 C4 Ni3 -151.2(8) . . . . ?
B5 C1 C4 B8 -97.8(10) . . . . ?
B5 C1 C4 B9 -37.1(9) . . . . ?
B5 C1 B6 B2 134.6(10) . . . . ?
B5 C1 B6 C2 134.6(10) . . . . ?
B5 C1 B6 B10 38.2(9) . . . . ?
B5 C1 B6 B11 102.7(10) . . . . ?
B5 C1 C1' C2' 50.0(13) . . . . ?
B5 C1 C1' B3' -21.4(14) . . . . ?
B5 C1 C1' B4' -94.1(12) . . . . ?
B5 C1 C1' B5' -168.8(11) . . . . ?
B5 C1 C1' B6' 120.0(11) . . . . ?
B5 B4 B8 Ni3 -121.2(10) . . . . ?
B5 B4 B8 B7 -69.1(12) . . . . ?
B5 B4 B8 B9 33.4(10) . . . . ?
B5 B4 B8 B12 -6.7(13) . . . . ?
B5 B4 B9 B8 -141.9(11) . . . . ?
B5 B4 B9 B10 -37.9(9) . . . . ?
B5 B4 B9 B12 -100.6(11) . . . . ?
B5 C4 B8 Ni3 -121.2(10) . . . . ?
B5 C4 B8 B7 -69.1(12) . . . . ?
B5 C4 B8 B9 33.4(10) . . . . ?
B5 C4 B8 B12 -6.7(13) . . . . ?
B5 C4 B9 B8 -141.9(11) . . . . ?
B5 C4 B9 B10 -37.9(9) . . . . ?
B5 C4 B9 B12 -100.6(11) . . . . ?
B5 B6 B10 B9 38.0(9) . . . . ?
B5 B6 B10 B11 135.6(10) . . . . ?
B5 B6 B10 B12 100.6(11) . . . . ?
B5 B6 B11 B2 92.0(10) . . . . ?
B5 B6 B11 C2 92.0(10) . . . . ?
B5 B6 B11 B7 60.6(13) . . . . ?
B5 B6 B11 B10 -39.7(9) . . . . ?
B5 B6 B11 B12 -4.9(12) . . . . ?
B5 B9 B10 B6 -38.4(10) . . . . ?
B5 B9 B10 B11 -100.5(10) . . . . ?
B5 B9 B10 B12 -140.2(10) . . . . ?
B5 B9 B12 B7 -67.2(12) . . . . ?
B5 B9 B12 B8 -104.9(10) . . . . ?
B5 B9 B12 B10 35.1(9) . . . . ?
B5 B9 B12 B11 -5.5(12) . . . . ?
B5 B10 B11 B2 -3.3(12) . . . . ?
B5 B10 B11 C2 -3.3(12) . . . . ?
B5 B10 B11 B6 39.4(9) . . . . ?
B5 B10 B11 B7 -65.3(12) . . . . ?
B5 B10 B11 B12 -101.6(10) . . . . ?
B5 B10 B12 B7 64.0(13) . . . . ?
B5 B10 B12 B8 0.1(13) . . . . ?
B5 B10 B12 B9 -35.6(9) . . . . ?
B5 B10 B12 B11 99.0(10) . . . . ?
B6 C1 B2 Ni3 157.0(7) . . . . ?
B6 C1 B2 B7 103.6(11) . . . . ?
B6 C1 B2 B11 34.6(9) . . . . ?
B6 C1 C2 Ni3 157.0(7) . . . . ?
B6 C1 C2 B7 103.6(11) . . . . ?
B6 C1 C2 B11 34.6(9) . . . . ?
B6 C1 B4 Ni3 -112.8(9) . . . . ?
B6 C1 B4 B5 38.4(11) . . . . ?
B6 C1 B4 B8 -59.4(13) . . . . ?
B6 C1 B4 B9 1.2(14) . . . . ?
B6 C1 C4 Ni3 -112.8(9) . . . . ?
B6 C1 C4 B5 38.4(11) . . . . ?
B6 C1 C4 B8 -59.4(13) . . . . ?
B6 C1 C4 B9 1.2(14) . . . . ?
B6 C1 B5 B4 -140.5(11) . . . . ?
B6 C1 B5 C4 -140.5(11) . . . . ?
B6 C1 B5 B9 -102.2(11) . . . . ?
B6 C1 B5 B10 -37.9(9) . . . . ?
B6 C1 C1' C2' -21.0(13) . . . . ?
B6 C1 C1' B3' -92.3(11) . . . . ?
B6 C1 C1' B4' -165.1(9) . . . . ?
B6 C1 C1' B5' 120.3(12) . . . . ?
B6 C1 C1' B6' 49.1(13) . . . . ?
B6 B2 B7 Ni3 126.9(9) . . . . ?
B6 B2 B7 B8 71.0(13) . . . . ?
B6 B2 B7 B11 -32.5(10) . . . . ?
B6 B2 B7 B12 9.6(13) . . . . ?
B6 B2 B11 B7 145.8(10) . . . . ?
B6 B2 B11 B10 41.3(8) . . . . ?
B6 B2 B11 B12 103.0(10) . . . . ?
B6 C2 B7 Ni3 126.9(9) . . . . ?
B6 C2 B7 B8 71.0(13) . . . . ?
B6 C2 B7 B11 -32.5(10) . . . . ?
B6 C2 B7 B12 9.6(13) . . . . ?
B6 C2 B11 B7 145.8(10) . . . . ?
B6 C2 B11 B10 41.3(8) . . . . ?
B6 C2 B11 B12 103.0(10) . . . . ?
B6 B5 B9 B4 -98.4(11) . . . . ?
B6 B5 B9 C4 -98.4(11) . . . . ?
B6 B5 B9 B8 -62.8(13) . . . . ?
B6 B5 B9 B10 38.0(9) . . . . ?
B6 B5 B9 B12 2.5(13) . . . . ?
B6 B5 B10 B9 -137.1(10) . . . . ?
B6 B5 B10 B11 -38.8(9) . . . . ?
B6 B5 B10 B12 -101.8(11) . . . . ?
B6 B10 B11 B2 -42.7(9) . . . . ?
B6 B10 B11 C2 -42.7(9) . . . . ?
B6 B10 B11 B7 -104.7(11) . . . . ?
B6 B10 B11 B12 -141.0(10) . . . . ?
B6 B10 B12 B7 -0.2(14) . . . . ?
B6 B10 B12 B8 -64.1(13) . . . . ?
B6 B10 B12 B9 -99.8(10) . . . . ?
B6 B10 B12 B11 34.8(9) . . . . ?
B6 B11 B12 B7 106.1(11) . . . . ?
B6 B11 B12 B8 68.5(12) . . . . ?
B6 B11 B12 B9 6.4(12) . . . . ?
B6 B11 B12 B10 -34.4(9) . . . . ?
B7 B2 B6 C1 -109.7(11) . . . . ?
B7 B2 B6 B5 -71.5(12) . . . . ?
B7 B2 B6 B10 -9.8(13) . . . . ?
B7 B2 B6 B11 33.0(10) . . . . ?
B7 B2 B11 B6 -145.8(10) . . . . ?
B7 B2 B11 B10 -104.5(11) . . . . ?
B7 B2 B11 B12 -42.8(9) . . . . ?
B7 C2 B6 C1 -109.7(11) . . . . ?
B7 C2 B6 B5 -71.5(12) . . . . ?
B7 C2 B6 B10 -9.8(13) . . . . ?
B7 C2 B6 B11 33.0(10) . . . . ?
B7 C2 B11 B6 -145.8(10) . . . . ?
B7 C2 B11 B10 -104.5(11) . . . . ?
B7 C2 B11 B12 -42.8(9) . . . . ?
B7 B8 B9 B4 96.4(11) . . . . ?
B7 B8 B9 C4 96.4(11) . . . . ?
B7 B8 B9 B5 61.4(13) . . . . ?
B7 B8 B9 B10 -1.7(14) . . . . ?
B7 B8 B9 B12 -37.8(10) . . . . ?
B7 B8 B12 B9 137.5(11) . . . . ?
B7 B8 B12 B10 101.0(11) . . . . ?
B7 B8 B12 B11 36.9(10) . . . . ?
B7 B11 B12 B8 -37.6(10) . . . . ?
B7 B11 B12 B9 -99.6(11) . . . . ?
B7 B11 B12 B10 -140.5(10) . . . . ?
B8 B4 B5 C1 104.0(11) . . . . ?
B8 B4 B5 B6 69.3(12) . . . . ?
B8 B4 B5 B9 -33.0(10) . . . . ?
B8 B4 B5 B10 6.9(13) . . . . ?
B8 B4 B9 B5 141.9(11) . . . . ?
B8 B4 B9 B10 104.0(11) . . . . ?
B8 B4 B9 B12 41.3(10) . . . . ?
B8 C4 B5 C1 104.0(11) . . . . ?
B8 C4 B5 B6 69.3(12) . . . . ?
B8 C4 B5 B9 -33.0(10) . . . . ?
B8 C4 B5 B10 6.9(13) . . . . ?
B8 C4 B9 B5 141.9(11) . . . . ?
B8 C4 B9 B10 104.0(11) . . . . ?
B8 C4 B9 B12 41.3(10) . . . . ?
B8 B7 B11 B2 -93.5(11) . . . . ?
B8 B7 B11 C2 -93.5(11) . . . . ?
B8 B7 B11 B6 -61.3(13) . . . . ?
B8 B7 B11 B10 2.1(13) . . . . ?
B8 B7 B11 B12 37.7(10) . . . . ?
B8 B7 B12 B9 -37.2(10) . . . . ?
B8 B7 B12 B10 -101.8(11) . . . . ?
B8 B7 B12 B11 -137.6(11) . . . . ?
B8 B9 B10 B5 103.4(11) . . . . ?
B8 B9 B10 B6 64.9(12) . . . . ?
B8 B9 B10 B11 2.9(12) . . . . ?
B8 B9 B10 B12 -36.8(9) . . . . ?
B8 B9 B12 B7 37.7(9) . . . . ?
B8 B9 B12 B10 140.0(10) . . . . ?
B8 B9 B12 B11 99.4(10) . . . . ?
B9 B4 B5 C1 137.0(11) . . . . ?
B9 B4 B5 B6 102.4(11) . . . . ?
B9 B4 B5 B10 39.9(9) . . . . ?
B9 B4 B8 Ni3 -154.7(9) . . . . ?
B9 B4 B8 B7 -102.5(12) . . . . ?
B9 B4 B8 B12 -40.1(10) . . . . ?
B9 C4 B5 C1 137.0(11) . . . . ?
B9 C4 B5 B6 102.4(11) . . . . ?
B9 C4 B5 B10 39.9(9) . . . . ?
B9 C4 B8 Ni3 -154.7(9) . . . . ?
B9 C4 B8 B7 -102.5(12) . . . . ?
B9 C4 B8 B12 -40.1(10) . . . . ?
B9 B5 B6 C1 97.7(10) . . . . ?
B9 B5 B6 B2 61.0(11) . . . . ?
B9 B5 B6 C2 61.0(11) . . . . ?
B9 B5 B6 B10 -39.0(9) . . . . ?
B9 B5 B6 B11 1.5(13) . . . . ?
B9 B5 B10 B6 137.1(10) . . . . ?
B9 B5 B10 B11 98.3(9) . . . . ?
B9 B5 B10 B12 35.3(9) . . . . ?
B9 B8 B12 B7 -137.5(11) . . . . ?
B9 B8 B12 B10 -36.6(10) . . . . ?
B9 B8 B12 B11 -100.6(11) . . . . ?
B9 B10 B11 B2 59.0(11) . . . . ?
B9 B10 B11 C2 59.0(11) . . . . ?
B9 B10 B11 B6 101.7(10) . . . . ?
B9 B10 B11 B7 -3.0(12) . . . . ?
B9 B10 B11 B12 -39.3(9) . . . . ?
B9 B10 B12 B7 99.6(11) . . . . ?
B9 B10 B12 B8 35.7(10) . . . . ?
B9 B10 B12 B11 134.6(9) . . . . ?
B10 B5 B6 C1 136.7(10) . . . . ?
B10 B5 B6 B2 100.0(10) . . . . ?
B10 B5 B6 C2 100.0(10) . . . . ?
B10 B5 B6 B11 40.5(9) . . . . ?
B10 B5 B9 B4 -136.4(10) . . . . ?
B10 B5 B9 C4 -136.4(10) . . . . ?
B10 B5 B9 B8 -100.9(11) . . . . ?
B10 B5 B9 B12 -35.5(9) . . . . ?
B10 B6 B11 B2 131.7(10) . . . . ?
B10 B6 B11 C2 131.7(10) . . . . ?
B10 B6 B11 B7 100.2(11) . . . . ?
B10 B6 B11 B12 34.7(9) . . . . ?
B10 B9 B12 B7 -102.3(10) . . . . ?
B10 B9 B12 B8 -140.0(10) . . . . ?
B10 B9 B12 B11 -40.6(8) . . . . ?
B10 B11 B12 B7 140.5(10) . . . . ?
B10 B11 B12 B8 102.9(11) . . . . ?
B10 B11 B12 B9 40.8(8) . . . . ?
B11 B2 B6 C1 -142.7(10) . . . . ?
B11 B2 B6 B5 -104.6(11) . . . . ?
B11 B2 B6 B10 -42.9(9) . . . . ?
B11 B2 B7 Ni3 159.4(9) . . . . ?
B11 B2 B7 B8 103.5(12) . . . . ?
B11 B2 B7 B12 42.1(10) . . . . ?
B11 C2 B6 C1 -142.7(10) . . . . ?
B11 C2 B6 B5 -104.6(11) . . . . ?
B11 C2 B6 B10 -42.9(9) . . . . ?
B11 C2 B7 Ni3 159.4(9) . . . . ?
B11 C2 B7 B8 103.5(12) . . . . ?
B11 C2 B7 B12 42.1(10) . . . . ?
B11 B6 B10 B5 -135.6(10) . . . . ?
B11 B6 B10 B9 -97.6(10) . . . . ?
B11 B6 B10 B12 -35.0(10) . . . . ?
B11 B7 B8 Ni3 116.4(9) . . . . ?
B11 B7 B8 B4 63.2(13) . . . . ?
B11 B7 B8 C4 63.2(13) . . . . ?
B11 B7 B8 B9 -0.2(14) . . . . ?
B11 B7 B8 B12 -37.9(9) . . . . ?
B11 B7 B12 B8 137.6(11) . . . . ?
B11 B7 B12 B9 100.4(11) . . . . ?
B11 B7 B12 B10 35.8(10) . . . . ?
B11 B10 B12 B7 -35.0(10) . . . . ?
B11 B10 B12 B8 -98.9(10) . . . . ?
B11 B10 B12 B9 -134.6(9) . . . . ?
B12 B7 B8 Ni3 154.2(8) . . . . ?
B12 B7 B8 B4 101.1(10) . . . . ?
B12 B7 B8 C4 101.1(10) . . . . ?
B12 B7 B8 B9 37.7(9) . . . . ?
B12 B7 B11 B2 -131.2(10) . . . . ?
B12 B7 B11 C2 -131.2(10) . . . . ?
B12 B7 B11 B6 -99.0(11) . . . . ?
B12 B7 B11 B10 -35.6(9) . . . . ?
B12 B8 B9 B4 134.3(10) . . . . ?
B12 B8 B9 C4 134.3(10) . . . . ?
B12 B8 B9 B5 99.3(11) . . . . ?
B12 B8 B9 B10 36.1(9) . . . . ?
B12 B9 B10 B5 140.2(10) . . . . ?
B12 B9 B10 B6 101.7(10) . . . . ?
B12 B9 B10 B11 39.7(8) . . . . ?
B12 B10 B11 B2 98.3(10) . . . . ?
B12 B10 B11 C2 98.3(10) . . . . ?
B12 B10 B11 B6 141.0(10) . . . . ?
B12 B10 B11 B7 36.3(9) . . . . ?
C101 P1 C103 C104 -140.3(10) . . . . ?
C101 P1 C103 C108 36.7(11) . . . . ?
C102 P1 C103 C104 -34.3(11) . . . . ?
C102 P1 C103 C108 142.7(9) . . . . ?
C103 C104 C105 C106 0.3(17) . . . . ?
C104 C103 C108 C107 -1.5(17) . . . . ?
C104 C105 C106 C107 0.3(17) . . . . ?
C105 C106 C107 C108 -1.5(18) . . . . ?
C106 C107 C108 C103 2.0(18) . . . . ?
C108 C103 C104 C105 0.3(17) . . . . ?
C201 P2 C203 C204 15.5(11) . . . . ?
C201 P2 C203 C208 -164.2(10) . . . . ?
C202 P2 C203 C204 119.3(10) . . . . ?
C202 P2 C203 C208 -60.5(10) . . . . ?
C203 C204 C205 C206 1.7(19) . . . . ?
C204 C203 C208 C207 1.3(18) . . . . ?
C204 C205 C206 C207 0(2) . . . . ?
C205 C206 C207 C208 -1(2) . . . . ?
C206 C207 C208 C203 0(2) . . . . ?
C208 C203 C204 C205 -2.3(17) . . . . ?
C1' C1 B2 Ni3 -97.9(10) . . . . ?
C1' C1 B2 B6 105.1(11) . . . . ?
C1' C1 B2 B7 -151.2(10) . . . . ?
C1' C1 B2 B11 139.8(10) . . . . ?
C1' C1 C2 Ni3 -97.9(10) . . . . ?
C1' C1 C2 B6 105.1(11) . . . . ?
C1' C1 C2 B7 -151.2(10) . . . . ?
C1' C1 C2 B11 139.8(10) . . . . ?
C1' C1 B4 Ni3 99.8(9) . . . . ?
C1' C1 B4 B5 -109.1(11) . . . . ?
C1' C1 B4 B8 153.1(10) . . . . ?
C1' C1 B4 B9 -146.2(10) . . . . ?
C1' C1 C4 Ni3 99.8(9) . . . . ?
C1' C1 C4 B5 -109.1(11) . . . . ?
C1' C1 C4 B8 153.1(10) . . . . ?
C1' C1 C4 B9 -146.2(10) . . . . ?
C1' C1 B5 B4 113.5(11) . . . . ?
C1' C1 B5 C4 113.5(11) . . . . ?
C1' C1 B5 B6 -106.0(11) . . . . ?
C1' C1 B5 B9 151.8(10) . . . . ?
C1' C1 B5 B10 -143.9(10) . . . . ?
C1' C1 B6 B2 -115.5(10) . . . . ?
C1' C1 B6 C2 -115.5(10) . . . . ?
C1' C1 B6 B5 109.8(10) . . . . ?
C1' C1 B6 B10 148.0(9) . . . . ?
C1' C1 B6 B11 -147.5(9) . . . . ?
C1' C2' B3' B4' -37.4(8) . . . . ?
C1' C2' B3' B7' -139.8(10) . . . . ?
C1' C2' B3' B8' -100.2(10) . . . . ?
C1' C2' B6' B5' 37.2(8) . . . . ?
C1' C2' B6' B10' 99.3(11) . . . . ?
C1' C2' B6' B11' 141.3(10) . . . . ?
C1' C2' B7' B3' 38.2(9) . . . . ?
C1' C2' B7' B8' -2.8(13) . . . . ?
C1' C2' B7' B11' -107.2(10) . . . . ?
C1' C2' B7' B12' -66.6(12) . . . . ?
C1' C2' B11' B6' -37.8(10) . . . . ?
C1' C2' B11' B7' 104.2(11) . . . . ?
C1' C2' B11' B10' 3.0(13) . . . . ?
C1' C2' B11' B12' 64.4(12) . . . . ?
C1' B3' B4' B5' -34.4(8) . . . . ?
C1' B3' B4' B8' -132.9(10) . . . . ?
C1' B3' B4' B9' -96.9(10) . . . . ?
C1' B3' B7' C2' -33.9(8) . . . . ?
C1' B3' B7' B8' 99.0(11) . . . . ?
C1' B3' B7' B11' -3.0(13) . . . . ?
C1' B3' B7' B12' 61.6(12) . . . . ?
C1' B3' B8' B4' 40.5(8) . . . . ?
C1' B3' B8' B7' -97.9(10) . . . . ?
C1' B3' B8' B9' 3.6(12) . . . . ?
C1' B3' B8' B12' -61.0(12) . . . . ?
C1' B4' B5' B6' -34.5(8) . . . . ?
C1' B4' B5' B9' -134.5(10) . . . . ?
C1' B4' B5' B10' -98.1(9) . . . . ?
C1' B4' B8' B3' -40.1(9) . . . . ?
C1' B4' B8' B7' -1.8(13) . . . . ?
C1' B4' B8' B9' 99.0(10) . . . . ?
C1' B4' B8' B12' 62.5(12) . . . . ?
C1' B4' B9' B5' 38.7(8) . . . . ?
C1' B4' B9' B8' -97.0(10) . . . . ?
C1' B4' B9' B10' 2.5(13) . . . . ?
C1' B4' B9' B12' -60.9(12) . . . . ?
C1' B5' B6' C2' -36.4(8) . . . . ?
C1' B5' B6' B10' -134.7(10) . . . . ?
C1' B5' B6' B11' -96.4(10) . . . . ?
C1' B5' B9' B4' -39.6(9) . . . . ?
C1' B5' B9' B8' -0.1(14) . . . . ?
C1' B5' B9' B10' 100.0(10) . . . . ?
C1' B5' B9' B12' 62.8(13) . . . . ?
C1' B5' B10' B6' 40.2(10) . . . . ?
C1' B5' B10' B9' -99.1(12) . . . . ?
C1' B5' B10' B11' 2.1(15) . . . . ?
C1' B5' B10' B12' -61.2(14) . . . . ?
C1' B6' B10' B5' -38.7(9) . . . . ?
C1' B6' B10' B9' -1.9(13) . . . . ?
C1' B6' B10' B11' 99.0(11) . . . . ?
C1' B6' B10' B12' 62.4(12) . . . . ?
C1' B6' B11' C2' 32.7(8) . . . . ?
C1' B6' B11' B7' -0.6(13) . . . . ?
C1' B6' B11' B10' -99.1(11) . . . . ?
C1' B6' B11' B12' -62.9(12) . . . . ?
C2' C1' B3' B4' 136.5(9) . . . . ?
C2' C1' B3' B7' 34.3(8) . . . . ?
C2' C1' B3' B8' 94.9(10) . . . . ?
C2' C1' B4' B3' -39.8(9) . . . . ?
C2' C1' B4' B5' 100.7(9) . . . . ?
C2' C1' B4' B8' 0.0(11) . . . . ?
C2' C1' B4' B9' 61.3(11) . . . . ?
C2' C1' B5' B4' -103.1(10) . . . . ?
C2' C1' B5' B6' 39.3(9) . . . . ?
C2' C1' B5' B9' -63.1(13) . . . . ?
C2' C1' B5' B10' -0.3(14) . . . . ?
C2' C1' B6' B5' -136.1(10) . . . . ?
C2' C1' B6' B10' -96.4(10) . . . . ?
C2' C1' B6' B11' -33.2(8) . . . . ?
C2' B3' B4' C1' 36.4(7) . . . . ?
C2' B3' B4' B5' 2.0(11) . . . . ?
C2' B3' B4' B8' -96.5(10) . . . . ?
C2' B3' B4' B9' -60.5(11) . . . . ?
C2' B3' B7' B8' 132.9(11) . . . . ?
C2' B3' B7' B11' 30.9(9) . . . . ?
C2' B3' B7' B12' 95.5(11) . . . . ?
C2' B3' B8' B4' 99.0(10) . . . . ?
C2' B3' B8' B7' -39.4(9) . . . . ?
C2' B3' B8' B9' 62.2(12) . . . . ?
C2' B3' B8' B12' -2.4(13) . . . . ?
C2' B6' B10' B5' -97.2(11) . . . . ?
C2' B6' B10' B9' -60.4(12) . . . . ?
C2' B6' B10' B11' 40.5(9) . . . . ?
C2' B6' B10' B12' 3.9(13) . . . . ?
C2' B6' B11' B7' -33.3(9) . . . . ?
C2' B6' B11' B10' -131.8(11) . . . . ?
C2' B6' B11' B12' -95.5(11) . . . . ?
C2' B7' B8' B3' 40.7(10) . . . . ?
C2' B7' B8' B4' 2.7(14) . . . . ?
C2' B7' B8' B9' -61.3(12) . . . . ?
C2' B7' B8' B12' -98.7(11) . . . . ?
C2' B7' B11' B6' 33.6(9) . . . . ?
C2' B7' B11' B10' 95.2(10) . . . . ?
C2' B7' B11' B12' 133.5(10) . . . . ?
C2' B7' B12' B8' 99.1(11) . . . . ?
C2' B7' B12' B9' 62.5(12) . . . . ?
C2' B7' B12' B10' -0.5(13) . . . . ?
C2' B7' B12' B11' -39.7(9) . . . . ?
C2' B11' B12' B7' 39.3(9) . . . . ?
C2' B11' B12' B8' 3.4(12) . . . . ?
C2' B11' B12' B9' -59.9(12) . . . . ?
C2' B11' B12' B10' -97.1(10) . . . . ?
B3' C1' C2' B6' -146.3(10) . . . . ?
B3' C1' C2' B7' -38.4(9) . . . . ?
B3' C1' C2' B11' -108.4(11) . . . . ?
B3' C1' B4' B5' 140.5(10) . . . . ?
B3' C1' B4' B8' 39.8(9) . . . . ?
B3' C1' B4' B9' 101.1(10) . . . . ?
B3' C1' B5' B4' -37.6(9) . . . . ?
B3' C1' B5' B6' 104.8(10) . . . . ?
B3' C1' B5' B9' 2.4(13) . . . . ?
B3' C1' B5' B10' 65.2(13) . . . . ?
B3' C1' B6' C2' 31.9(9) . . . . ?
B3' C1' B6' B5' -104.2(10) . . . . ?
B3' C1' B6' B10' -64.5(11) . . . . ?
B3' C1' B6' B11' -1.3(12) . . . . ?
B3' C2' B6' C1' -33.2(9) . . . . ?
B3' C2' B6' B5' 4.0(12) . . . . ?
B3' C2' B6' B10' 66.1(12) . . . . ?
B3' C2' B6' B11' 108.1(11) . . . . ?
B3' C2' B7' B8' -41.0(10) . . . . ?
B3' C2' B7' B11' -145.4(10) . . . . ?
B3' C2' B7' B12' -104.8(11) . . . . ?
B3' C2' B11' B6' -107.6(11) . . . . ?
B3' C2' B11' B7' 34.4(10) . . . . ?
B3' C2' B11' B10' -66.8(13) . . . . ?
B3' C2' B11' B12' -5.4(13) . . . . ?
B3' B4' B5' C1' 34.8(8) . . . . ?
B3' B4' B5' B6' 0.3(12) . . . . ?
B3' B4' B5' B9' -99.7(11) . . . . ?
B3' B4' B5' B10' -63.3(11) . . . . ?
B3' B4' B8' B7' 38.4(10) . . . . ?
B3' B4' B8' B9' 139.1(11) . . . . ?
B3' B4' B8' B12' 102.7(11) . . . . ?
B3' B4' B9' B5' 100.1(10) . . . . ?
B3' B4' B9' B8' -35.5(9) . . . . ?
B3' B4' B9' B10' 63.9(13) . . . . ?
B3' B4' B9' B12' 0.5(13) . . . . ?
B3' B7' B8' B4' -38.0(10) . . . . ?
B3' B7' B8' B9' -102.1(11) . . . . ?
B3' B7' B8' B12' -139.4(11) . . . . ?
B3' B7' B11' C2' -31.3(9) . . . . ?
B3' B7' B11' B6' 2.3(14) . . . . ?
B3' B7' B11' B10' 63.9(12) . . . . ?
B3' B7' B11' B12' 102.1(11) . . . . ?
B3' B7' B12' B8' 36.8(10) . . . . ?
B3' B7' B12' B9' 0.2(14) . . . . ?
B3' B7' B12' B10' -62.8(13) . . . . ?
B3' B7' B12' B11' -102.0(11) . . . . ?
B3' B8' B9' B4' 37.1(10) . . . . ?
B3' B8' B9' B5' -2.3(14) . . . . ?
B3' B8' B9' B10' -65.1(12) . . . . ?
B3' B8' B9' B12' -102.8(11) . . . . ?
B3' B8' B12' B7' -37.5(10) . . . . ?
B3' B8' B12' B9' 101.2(12) . . . . ?
B3' B8' B12' B10' 63.3(13) . . . . ?
B3' B8' B12' B11' -0.6(14) . . . . ?
B4' C1' C2' B3' 40.2(9) . . . . ?
B4' C1' C2' B6' -106.1(9) . . . . ?
B4' C1' C2' B7' 1.8(12) . . . . ?
B4' C1' C2' B11' -68.2(12) . . . . ?
B4' C1' B3' C2' -136.5(9) . . . . ?
B4' C1' B3' B7' -102.1(10) . . . . ?
B4' C1' B3' B8' -41.6(9) . . . . ?
B4' C1' B5' B6' 142.4(9) . . . . ?
B4' C1' B5' B9' 40.0(10) . . . . ?
B4' C1' B5' B10' 102.8(11) . . . . ?
B4' C1' B6' C2' 100.1(9) . . . . ?
B4' C1' B6' B5' -36.0(9) . . . . ?
B4' C1' B6' B10' 3.7(12) . . . . ?
B4' C1' B6' B11' 66.9(11) . . . . ?
B4' B3' B7' C2' -95.3(11) . . . . ?
B4' B3' B7' B8' 37.5(10) . . . . ?
B4' B3' B7' B11' -64.4(13) . . . . ?
B4' B3' B7' B12' 0.1(14) . . . . ?
B4' B3' B8' B7' -138.4(11) . . . . ?
B4' B3' B8' B9' -36.9(10) . . . . ?
B4' B3' B8' B12' -101.5(12) . . . . ?
B4' B5' B6' C1' 34.0(8) . . . . ?
B4' B5' B6' C2' -2.4(12) . . . . ?
B4' B5' B6' B10' -100.8(10) . . . . ?
B4' B5' B6' B11' -62.4(12) . . . . ?
B4' B5' B9' B8' 39.5(9) . . . . ?
B4' B5' B9' B10' 139.6(10) . . . . ?
B4' B5' B9' B12' 102.4(12) . . . . ?
B4' B5' B10' B6' 102.7(10) . . . . ?
B4' B5' B10' B9' -36.5(10) . . . . ?
B4' B5' B10' B11' 64.6(13) . . . . ?
B4' B5' B10' B12' 1.4(13) . . . . ?
B4' B8' B9' B5' -39.4(10) . . . . ?
B4' B8' B9' B10' -102.2(11) . . . . ?
B4' B8' B9' B12' -139.9(11) . . . . ?
B4' B8' B12' B7' -102.4(11) . . . . ?
B4' B8' B12' B9' 36.3(10) . . . . ?
B4' B8' B12' B10' -1.5(14) . . . . ?
B4' B8' B12' B11' -65.4(12) . . . . ?
B4' B9' B10' B5' 36.4(9) . . . . ?
B4' B9' B10' B6' -0.3(14) . . . . ?
B4' B9' B10' B11' -64.5(13) . . . . ?
B4' B9' B10' B12' -101.6(12) . . . . ?
B4' B9' B12' B7' -0.4(14) . . . . ?
B4' B9' B12' B8' -36.4(10) . . . . ?
B4' B9' B12' B10' 101.0(11) . . . . ?
B4' B9' B12' B11' 63.5(13) . . . . ?
B5' C1' C2' B3' 106.6(11) . . . . ?
B5' C1' C2' B6' -39.7(10) . . . . ?
B5' C1' C2' B7' 68.2(12) . . . . ?
B5' C1' C2' B11' -1.8(14) . . . . ?
B5' C1' B3' C2' -98.7(10) . . . . ?
B5' C1' B3' B4' 37.8(10) . . . . ?
B5' C1' B3' B7' -64.4(12) . . . . ?
B5' C1' B3' B8' -3.8(12) . . . . ?
B5' C1' B4' B3' -140.5(10) . . . . ?
B5' C1' B4' B8' -100.7(10) . . . . ?
B5' C1' B4' B9' -39.3(9) . . . . ?
B5' C1' B6' C2' 136.1(10) . . . . ?
B5' C1' B6' B10' 39.7(9) . . . . ?
B5' C1' B6' B11' 102.9(11) . . . . ?
B5' B4' B8' B3' -100.4(10) . . . . ?
B5' B4' B8' B7' -62.0(12) . . . . ?
B5' B4' B8' B9' 38.8(9) . . . . ?
B5' B4' B8' B12' 2.3(13) . . . . ?
B5' B4' B9' B8' -135.7(10) . . . . ?
B5' B4' B9' B10' -36.2(9) . . . . ?
B5' B4' B9' B12' -99.6(11) . . . . ?
B5' B6' B10' B9' 36.8(11) . . . . ?
B5' B6' B10' B11' 137.7(12) . . . . ?
B5' B6' B10' B12' 101.1(12) . . . . ?
B5' B6' B11' C2' 93.7(11) . . . . ?
B5' B6' B11' B7' 60.3(13) . . . . ?
B5' B6' B11' B10' -38.1(11) . . . . ?
B5' B6' B11' B12' -1.9(14) . . . . ?
B5' B9' B10' B6' -36.7(10) . . . . ?
B5' B9' B10' B11' -100.9(10) . . . . ?
B5' B9' B10' B12' -138.0(11) . . . . ?
B5' B9' B12' B7' -64.1(13) . . . . ?
B5' B9' B12' B8' -100.1(12) . . . . ?
B5' B9' B12' B10' 37.3(10) . . . . ?
B5' B9' B12' B11' -0.2(15) . . . . ?
B5' B10' B11' C2' -3.0(14) . . . . ?
B5' B10' B11' B6' 37.9(11) . . . . ?
B5' B10' B11' B7' -63.2(13) . . . . ?
B5' B10' B11' B12' -101.2(12) . . . . ?
B5' B10' B12' B7' 61.6(13) . . . . ?
B5' B10' B12' B8' 0.1(14) . . . . ?
B5' B10' B12' B9' -37.8(10) . . . . ?
B5' B10' B12' B11' 100.8(10) . . . . ?
B6' C1' C2' B3' 146.3(10) . . . . ?
B6' C1' C2' B7' 107.8(11) . . . . ?
B6' C1' C2' B11' 37.9(10) . . . . ?
B6' C1' B3' C2' -31.7(9) . . . . ?
B6' C1' B3' B4' 104.8(10) . . . . ?
B6' C1' B3' B7' 2.6(12) . . . . ?
B6' C1' B3' B8' 63.2(11) . . . . ?
B6' C1' B4' B3' -105.0(10) . . . . ?
B6' C1' B4' B5' 35.5(9) . . . . ?
B6' C1' B4' B8' -65.2(11) . . . . ?
B6' C1' B4' B9' -3.9(12) . . . . ?
B6' C1' B5' B4' -142.4(9) . . . . ?
B6' C1' B5' B9' -102.4(11) . . . . ?
B6' C1' B5' B10' -39.6(10) . . . . ?
B6' C2' B3' C1' 33.5(9) . . . . ?
B6' C2' B3' B4' -3.9(12) . . . . ?
B6' C2' B3' B7' -106.3(11) . . . . ?
B6' C2' B3' B8' -66.6(12) . . . . ?
B6' C2' B7' B3' 108.0(10) . . . . ?
B6' C2' B7' B8' 67.0(12) . . . . ?
B6' C2' B7' B11' -37.4(10) . . . . ?
B6' C2' B7' B12' 3.2(13) . . . . ?
B6' C2' B11' B7' 142.0(11) . . . . ?
B6' C2' B11' B10' 40.8(9) . . . . ?
B6' C2' B11' B12' 102.2(10) . . . . ?
B6' B5' B9' B4' -103.3(11) . . . . ?
B6' B5' B9' B8' -63.8(13) . . . . ?
B6' B5' B9' B10' 36.3(10) . . . . ?
B6' B5' B9' B12' -0.9(15) . . . . ?
B6' B5' B10' B9' -139.2(11) . . . . ?
B6' B5' B10' B11' -38.1(11) . . . . ?
B6' B5' B10' B12' -101.3(11) . . . . ?
B6' B10' B11' C2' -40.9(9) . . . . ?
B6' B10' B11' B7' -101.1(11) . . . . ?
B6' B10' B11' B12' -139.1(11) . . . . ?
B6' B10' B12' B7' -2.2(14) . . . . ?
B6' B10' B12' B8' -63.8(13) . . . . ?
B6' B10' B12' B9' -101.6(12) . . . . ?
B6' B10' B12' B11' 36.9(10) . . . . ?
B6' B11' B12' B7' 100.6(11) . . . . ?
B6' B11' B12' B8' 64.6(12) . . . . ?
B6' B11' B12' B9' 1.3(14) . . . . ?
B6' B11' B12' B10' -35.8(10) . . . . ?
B7' C2' B3' C1' 139.8(10) . . . . ?
B7' C2' B3' B4' 102.4(10) . . . . ?
B7' C2' B3' B8' 39.7(9) . . . . ?
B7' C2' B6' C1' -103.8(10) . . . . ?
B7' C2' B6' B5' -66.6(12) . . . . ?
B7' C2' B6' B10' -4.5(13) . . . . ?
B7' C2' B6' B11' 37.5(10) . . . . ?
B7' C2' B11' B6' -142.0(11) . . . . ?
B7' C2' B11' B10' -101.2(11) . . . . ?
B7' C2' B11' B12' -39.8(9) . . . . ?
B7' B3' B4' C1' 96.5(10) . . . . ?
B7' B3' B4' B5' 62.1(12) . . . . ?
B7' B3' B4' B8' -36.4(10) . . . . ?
B7' B3' B4' B9' -0.4(13) . . . . ?
B7' B3' B8' B4' 138.4(11) . . . . ?
B7' B3' B8' B9' 101.5(11) . . . . ?
B7' B3' B8' B12' 36.9(10) . . . . ?
B7' B8' B9' B4' 102.7(11) . . . . ?
B7' B8' B9' B5' 63.3(13) . . . . ?
B7' B8' B9' B10' 0.5(14) . . . . ?
B7' B8' B9' B12' -37.2(10) . . . . ?
B7' B8' B12' B9' 138.7(11) . . . . ?
B7' B8' B12' B10' 100.9(12) . . . . ?
B7' B8' B12' B11' 37.0(10) . . . . ?
B7' B11' B12' B8' -36.0(10) . . . . ?
B7' B11' B12' B9' -99.3(12) . . . . ?
B7' B11' B12' B10' -136.4(11) . . . . ?
B8' B3' B4' C1' 132.9(10) . . . . ?
B8' B3' B4' B5' 98.5(10) . . . . ?
B8' B3' B4' B9' 36.0(10) . . . . ?
B8' B3' B7' C2' -132.9(11) . . . . ?
B8' B3' B7' B11' -102.0(12) . . . . ?
B8' B3' B7' B12' -37.4(11) . . . . ?
B8' B4' B5' C1' 95.8(9) . . . . ?
B8' B4' B5' B6' 61.3(11) . . . . ?
B8' B4' B5' B9' -38.7(9) . . . . ?
B8' B4' B5' B10' -2.3(12) . . . . ?
B8' B4' B9' B5' 135.7(10) . . . . ?
B8' B4' B9' B10' 99.5(11) . . . . ?
B8' B4' B9' B12' 36.0(10) . . . . ?
B8' B7' B11' C2' -95.5(11) . . . . ?
B8' B7' B11' B6' -61.9(13) . . . . ?
B8' B7' B11' B10' -0.3(13) . . . . ?
B8' B7' B11' B12' 38.0(10) . . . . ?
B8' B7' B12' B9' -36.6(10) . . . . ?
B8' B7' B12' B10' -99.6(11) . . . . ?
B8' B7' B12' B11' -138.8(11) . . . . ?
B8' B9' B10' B5' 100.3(11) . . . . ?
B8' B9' B10' B6' 63.5(13) . . . . ?
B8' B9' B10' B11' -0.7(13) . . . . ?
B8' B9' B10' B12' -37.7(10) . . . . ?
B8' B9' B12' B7' 35.9(10) . . . . ?
B8' B9' B12' B10' 137.4(11) . . . . ?
B8' B9' B12' B11' 99.8(11) . . . . ?
B9' B4' B5' C1' 134.5(10) . . . . ?
B9' B4' B5' B6' 100.0(11) . . . . ?
B9' B4' B5' B10' 36.4(9) . . . . ?
B9' B4' B8' B3' -139.1(11) . . . . ?
B9' B4' B8' B7' -100.7(12) . . . . ?
B9' B4' B8' B12' -36.4(10) . . . . ?
B9' B5' B6' C1' 98.2(12) . . . . ?
B9' B5' B6' C2' 61.8(12) . . . . ?
B9' B5' B6' B10' -36.6(10) . . . . ?
B9' B5' B6' B11' 1.8(15) . . . . ?
B9' B5' B10' B6' 139.2(11) . . . . ?
B9' B5' B10' B11' 101.2(12) . . . . ?
B9' B5' B10' B12' 37.9(11) . . . . ?
B9' B8' B12' B7' -138.7(11) . . . . ?
B9' B8' B12' B10' -37.8(10) . . . . ?
B9' B8' B12' B11' -101.7(11) . . . . ?
B9' B10' B11' C2' 60.8(12) . . . . ?
B9' B10' B11' B6' 101.7(11) . . . . ?
B9' B10' B11' B7' 0.6(13) . . . . ?
B9' B10' B11' B12' -37.4(10) . . . . ?
B9' B10' B12' B7' 99.4(11) . . . . ?
B9' B10' B12' B8' 37.8(10) . . . . ?
B9' B10' B12' B11' 138.5(11) . . . . ?
B10' B5' B6' C1' 134.7(10) . . . . ?
B10' B5' B6' C2' 98.4(10) . . . . ?
B10' B5' B6' B11' 38.3(10) . . . . ?
B10' B5' B9' B4' -139.6(10) . . . . ?
B10' B5' B9' B8' -100.1(11) . . . . ?
B10' B5' B9' B12' -37.3(10) . . . . ?
B10' B6' B11' C2' 131.8(11) . . . . ?
B10' B6' B11' B7' 98.5(12) . . . . ?
B10' B6' B11' B12' 36.2(10) . . . . ?
B10' B9' B12' B7' -101.4(11) . . . . ?
B10' B9' B12' B8' -137.4(11) . . . . ?
B10' B9' B12' B11' -37.5(10) . . . . ?
B10' B11' B12' B7' 136.4(11) . . . . ?
B10' B11' B12' B8' 100.4(11) . . . . ?
B10' B11' B12' B9' 37.1(10) . . . . ?
B11' C2' B3' C1' 105.2(11) . . . . ?
B11' C2' B3' B4' 67.8(12) . . . . ?
B11' C2' B3' B7' -34.6(10) . . . . ?
B11' C2' B3' B8' 5.0(13) . . . . ?
B11' C2' B6' C1' -141.3(10) . . . . ?
B11' C2' B6' B5' -104.1(10) . . . . ?
B11' C2' B6' B10' -42.0(10) . . . . ?
B11' C2' B7' B3' 145.4(10) . . . . ?
B11' C2' B7' B8' 104.4(11) . . . . ?
B11' C2' B7' B12' 40.6(9) . . . . ?
B11' B6' B10' B5' -137.7(12) . . . . ?
B11' B6' B10' B9' -100.9(12) . . . . ?
B11' B6' B10' B12' -36.6(10) . . . . ?
B11' B7' B8' B3' 102.0(11) . . . . ?
B11' B7' B8' B4' 64.0(13) . . . . ?
B11' B7' B8' B9' -0.1(14) . . . . ?
B11' B7' B8' B12' -37.4(9) . . . . ?
B11' B7' B12' B8' 138.8(11) . . . . ?
B11' B7' B12' B9' 102.2(11) . . . . ?
B11' B7' B12' B10' 39.2(10) . . . . ?
B11' B10' B12' B7' -39.2(10) . . . . ?
B11' B10' B12' B8' -100.7(11) . . . . ?
B11' B10' B12' B9' -138.5(11) . . . . ?
B12' B7' B8' B3' 139.4(11) . . . . ?
B12' B7' B8' B4' 101.4(12) . . . . ?
B12' B7' B8' B9' 37.3(10) . . . . ?
B12' B7' B11' C2' -133.5(10) . . . . ?
B12' B7' B11' B6' -99.9(11) . . . . ?
B12' B7' B11' B10' -38.3(9) . . . . ?
B12' B8' B9' B4' 139.9(11) . . . . ?
B12' B8' B9' B5' 100.5(12) . . . . ?
B12' B8' B9' B10' 37.7(10) . . . . ?
B12' B9' B10' B5' 138.0(11) . . . . ?
B12' B9' B10' B6' 101.2(11) . . . . ?
B12' B9' B10' B11' 37.0(10) . . . . ?
B12' B10' B11' C2' 98.2(11) . . . . ?
B12' B10' B11' B6' 139.1(11) . . . . ?
B12' B10' B11' B7' 38.0(9) . . . . ?

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

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.56(4)
2 0.44(4)

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

data_5114
_database_code_depnum_ccdc_archive 'CCDC 1492397'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2015-07-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H32 B19 P'
_chemical_formula_sum            'C12 H32 B19 P'
_chemical_formula_weight         412.73
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.0021(9)
_cell_length_b                   12.7125(16)
_cell_length_c                   26.754(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.459(3)
_cell_angle_gamma                90
_cell_volume                     2370.7(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      0.000
_cell_measurement_theta_min      0.000
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.117
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0668 before and 0.0556 after correction.
The Ratio of minimum to maximum transmission is 0.9375.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            15432
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.278
_diffrn_reflns_theta_min         2.798
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4140
_reflns_number_total             5764
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5764
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0587
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0610P)²+0.9413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1334
_refine_ls_wR_factor_ref         0.1481
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H1(0.027) H2(0.026) H3(0.027) H4(0.025) H5(0.024) H6(0.023)
 H8(0.024) H9A(0.023) H9B(0.021) H11(0.03) H10A(0.041) H10B(0.041) H10C(0.041)
 H10D(0.035) H10E(0.035) H10F(0.035) H104(0.029) H105(0.036) H106(0.037)
 H107(0.035) H108(0.03) H2'(0.036) H3'(0.027) H4'(0.025) H5'(0.022) H6'(0.024)
 H7'(0.03) H9'(0.028) H10'(0.027) H11'(0.03) H12'(0.031)
 Fixed X: H10A(0.0484) H10B(0.1892) H10C(0.1233) H10D(0.5092) H10E(0.5748)
 H10F(0.6647) H104(0.5495) H105(0.4786) H106(0.1928) H107(-0.0286) H108(0.0416)
 Fixed Y: H10A(0.5592) H10B(0.632) H10C(0.6685) H10D(0.6959) H10E(0.6636)
 H10F(0.6048) H104(0.5541) H105(0.4926) H106(0.4034) H107(0.38) H108(0.4385)
 Fixed Z: H10A(0.1743) H10B(0.1456) H10C(0.1986) H10D(0.238) H10E(0.1844)
 H10F(0.234) H104(0.3107) H105(0.3887) H106(0.3966) H107(0.327) H108(0.2481)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.7600(3) 0.2888(2) 0.15993(9) 0.0222(5) Uani 1 1 d . . . . .
H1 H 0.912(3) 0.2738(18) 0.1699(8) 0.027 Uiso 1 1 d R . . . .
B2 B 0.6737(4) 0.3400(2) 0.10102(9) 0.0218(5) Uani 1 1 d . . . . .
H2 H 0.746(3) 0.3522(18) 0.0703(9) 0.026 Uiso 1 1 d R . . . .
B3 B 0.6175(4) 0.2097(2) 0.11669(9) 0.0221(5) Uani 1 1 d . . . . .
H3 H 0.655(3) 0.1387(18) 0.0962(8) 0.027 Uiso 1 1 d R . . . .
B4 B 0.5793(3) 0.2086(2) 0.18044(9) 0.0208(5) Uani 1 1 d . . . . .
H4 H 0.608(3) 0.1339(18) 0.2023(8) 0.025 Uiso 1 1 d R . . . .
B5 B 0.6061(3) 0.33693(19) 0.20488(9) 0.0202(5) Uani 1 1 d . . . . .
H5 H 0.657(3) 0.3519(18) 0.2447(8) 0.024 Uiso 1 1 d R . . . .
B6 B 0.6678(3) 0.4190(2) 0.15313(9) 0.0195(5) Uani 1 1 d . . . . .
H6 H 0.751(3) 0.4863(18) 0.1610(8) 0.023 Uiso 1 1 d R . . . .
C7 C 0.4411(3) 0.29633(16) 0.09148(7) 0.0159(4) Uani 1 1 d . . . . .
C8 C 0.3907(3) 0.22175(17) 0.13556(8) 0.0203(4) Uani 1 1 d . . . . .
H8 H 0.310(3) 0.1618(19) 0.1252(8) 0.024 Uiso 1 1 d R . . . .
B9 B 0.3703(3) 0.28608(19) 0.18724(8) 0.0193(5) Uani 1 1 d D . . . .
H9A H 0.271(3) 0.2630(17) 0.2156(8) 0.023 Uiso 1 1 d R . . . .
B10 B 0.4332(3) 0.42220(18) 0.17339(8) 0.0172(5) Uani 1 1 d D . . . .
H9B H 0.310(2) 0.3579(10) 0.1569(6) 0.021 Uiso 1 1 d DR . . . .
P10 P 0.36037(8) 0.54180(4) 0.21028(2) 0.01694(14) Uani 1 1 d . . . . .
B11 B 0.4695(4) 0.4190(2) 0.10763(10) 0.0247(5) Uani 1 1 d . . . . .
H11 H 0.428(3) 0.4858(19) 0.0791(8) 0.030 Uiso 1 1 d R . . . .
C101 C 0.1573(3) 0.60785(19) 0.17861(8) 0.0273(5) Uani 1 1 d . . . . .
H10A H 0.0484 0.5592 0.1743 0.041 Uiso 1 1 calc GR . . . .
H10B H 0.1892 0.6320 0.1456 0.041 Uiso 1 1 calc GR . . . .
H10C H 0.1233 0.6685 0.1986 0.041 Uiso 1 1 calc GR . . . .
C102 C 0.5485(3) 0.63731(17) 0.21748(8) 0.0234(5) Uani 1 1 d . . . . .
H10D H 0.5092 0.6959 0.2380 0.035 Uiso 1 1 calc GR . . . .
H10E H 0.5748 0.6636 0.1844 0.035 Uiso 1 1 calc GR . . . .
H10F H 0.6647 0.6048 0.2340 0.035 Uiso 1 1 calc GR . . . .
C103 C 0.3024(3) 0.50272(16) 0.27137(7) 0.0186(4) Uani 1 1 d . . . . .
C104 C 0.4321(3) 0.51824(17) 0.31372(8) 0.0240(5) Uani 1 1 d . . . . .
H104 H 0.5495 0.5541 0.3107 0.029 Uiso 1 1 calc R . . . .
C105 C 0.3901(4) 0.48168(19) 0.35999(8) 0.0303(5) Uani 1 1 d . . . . .
H105 H 0.4786 0.4926 0.3887 0.036 Uiso 1 1 calc R . . . .
C106 C 0.2200(4) 0.42929(18) 0.36478(9) 0.0304(6) Uani 1 1 d . . . . .
H106 H 0.1928 0.4034 0.3966 0.037 Uiso 1 1 calc R . . . .
C107 C 0.0896(3) 0.41457(18) 0.32342(9) 0.0292(5) Uani 1 1 d . . . . .
H107 H -0.0286 0.3800 0.3270 0.035 Uiso 1 1 calc R . . . .
C108 C 0.1306(3) 0.45007(18) 0.27662(8) 0.0247(5) Uani 1 1 d . . . . .
H108 H 0.0416 0.4385 0.2481 0.030 Uiso 1 1 calc R . . . .
C1' C 0.3530(3) 0.26965(16) 0.03890(7) 0.0178(4) Uani 1 1 d . . . . .
C2' C 0.1936(4) 0.35626(19) 0.01223(8) 0.0297(5) Uani 1 1 d . . . . .
H2' H 0.157(3) 0.429(2) 0.0365(9) 0.036 Uiso 1 1 d R . . . .
B3' B 0.4165(4) 0.3458(2) -0.00915(9) 0.0228(5) Uani 1 1 d . . . . .
H3' H 0.510(3) 0.3999(19) -0.0003(8) 0.027 Uiso 1 1 d R . . . .
B4' B 0.4797(4) 0.2132(2) -0.00551(9) 0.0206(5) Uani 1 1 d . . . . .
H4' H 0.619(3) 0.1945(18) 0.0060(8) 0.025 Uiso 1 1 d R . . . .
B5' B 0.2939(3) 0.14408(19) 0.01993(9) 0.0180(5) Uani 1 1 d . . . . .
H5' H 0.327(3) 0.0817(18) 0.0441(8) 0.022 Uiso 1 1 d R . . . .
B6' B 0.1138(4) 0.23548(19) 0.03132(9) 0.0203(5) Uani 1 1 d . . . . .
H6' H 0.045(3) 0.2325(18) 0.0642(8) 0.024 Uiso 1 1 d R . . . .
B7' B 0.2101(4) 0.3609(2) -0.05162(9) 0.0250(6) Uani 1 1 d . . . . .
H7' H 0.187(3) 0.4350(19) -0.0704(9) 0.030 Uiso 1 1 d R . . . .
B8' B 0.3911(4) 0.2691(2) -0.06316(9) 0.0245(5) Uani 1 1 d . . . . .
H8' H 0.491(3) 0.2839(19) -0.0921(9) 0.030(6) Uiso 1 1 d . . . . .
B9' B 0.3139(4) 0.1422(2) -0.04564(9) 0.0234(5) Uani 1 1 d . . . . .
H9' H 0.354(3) 0.0694(19) -0.0623(8) 0.028 Uiso 1 1 d R . . . .
B10' B 0.0837(4) 0.1559(2) -0.02249(9) 0.0222(5) Uani 1 1 d . . . . .
H10' H -0.022(3) 0.0965(19) -0.0242(8) 0.027 Uiso 1 1 d R . . . .
B11' B 0.0209(4) 0.2915(2) -0.02653(9) 0.0246(5) Uani 1 1 d . . . . .
H11' H -0.125(3) 0.3230(19) -0.0314(8) 0.030 Uiso 1 1 d R . . . .
B12' B 0.1457(4) 0.2336(2) -0.07440(9) 0.0260(6) Uani 1 1 d . . . . .
H12' H 0.081(3) 0.2230(19) -0.1121(9) 0.031 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
B1 H1 1.09(2) . ?
B1 B2 1.758(4) . ?
B1 B3 1.768(4) . ?
B1 B4 1.754(4) . ?
B1 B5 1.797(4) . ?
B1 B6 1.780(4) . ?
B2 H2 1.02(2) . ?
B2 B3 1.763(4) . ?
B2 B6 1.722(4) . ?
B2 C7 1.717(3) . ?
B2 B11 1.770(4) . ?
B3 H3 1.10(2) . ?
B3 B4 1.752(4) . ?
B3 C7 1.743(3) . ?
B3 C8 1.718(3) . ?
B4 H4 1.12(2) . ?
B4 B5 1.761(4) . ?
B4 C8 1.706(3) . ?
B4 B9 1.788(3) . ?
B5 H5 1.11(2) . ?
B5 B6 1.818(3) . ?
B5 B9 1.794(3) . ?
B5 B10 1.777(3) . ?
B6 H6 1.04(2) . ?
B6 B10 1.779(3) . ?
B6 B11 1.757(3) . ?
C7 C8 1.579(3) . ?
C7 B11 1.625(3) . ?
C7 C1' 1.520(3) . ?
C8 H8 0.98(2) . ?
C8 B9 1.624(3) . ?
B9 H9A 1.12(2) . ?
B9 B10 1.832(3) . ?
B9 H9B 1.266(10) . ?
B10 H9B 1.239(12) . ?
B10 P10 1.908(2) . ?
B10 B11 1.802(3) . ?
P10 C101 1.793(2) . ?
P10 C102 1.788(2) . ?
P10 C103 1.791(2) . ?
B11 H11 1.16(2) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.397(3) . ?
C103 C108 1.395(3) . ?
C104 H104 0.9500 . ?
C104 C105 1.380(3) . ?
C105 H105 0.9500 . ?
C105 C106 1.381(3) . ?
C106 H106 0.9500 . ?
C106 C107 1.378(3) . ?
C107 H107 0.9500 . ?
C107 C108 1.386(3) . ?
C108 H108 0.9500 . ?
C1' C2' 1.678(3) . ?
C1' B3' 1.702(3) . ?
C1' B4' 1.707(3) . ?
C1' B5' 1.714(3) . ?
C1' B6' 1.723(3) . ?
C2' H2' 1.17(3) . ?
C2' B3' 1.717(4) . ?
C2' B6' 1.728(3) . ?
C2' B7' 1.724(3) . ?
C2' B11' 1.725(4) . ?
B3' H3' 0.96(2) . ?
B3' B4' 1.744(4) . ?
B3' B7' 1.762(4) . ?
B3' B8' 1.739(4) . ?
B4' H4' 1.02(2) . ?
B4' B5' 1.760(3) . ?
B4' B8' 1.757(3) . ?
B4' B9' 1.754(4) . ?
B5' H5' 1.04(2) . ?
B5' B6' 1.762(3) . ?
B5' B9' 1.773(3) . ?
B5' B10' 1.777(3) . ?
B6' H6' 1.05(2) . ?
B6' B10' 1.756(3) . ?
B6' B11' 1.771(3) . ?
B7' H7' 1.07(2) . ?
B7' B8' 1.771(4) . ?
B7' B11' 1.776(4) . ?
B7' B12' 1.773(4) . ?
B8' H8' 1.11(2) . ?
B8' B9' 1.778(4) . ?
B8' B12' 1.774(4) . ?
B9' H9' 1.08(2) . ?
B9' B10' 1.790(4) . ?
B9' B12' 1.776(4) . ?
B10' H10' 1.06(2) . ?
B10' B11' 1.780(4) . ?
B10' B12' 1.790(4) . ?
B11' H11' 1.10(2) . ?
B11' B12' 1.778(4) . ?
B12' H12' 1.08(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B2 B1 H1 122.0(12) . . ?
B2 B1 B3 59.98(14) . . ?
B2 B1 B5 107.28(17) . . ?
B2 B1 B6 58.24(14) . . ?
B3 B1 H1 122.5(12) . . ?
B3 B1 B5 107.13(17) . . ?
B3 B1 B6 106.60(17) . . ?
B4 B1 H1 122.6(12) . . ?
B4 B1 B2 107.41(17) . . ?
B4 B1 B3 59.65(14) . . ?
B4 B1 B5 59.46(14) . . ?
B4 B1 B6 107.90(17) . . ?
B5 B1 H1 122.0(12) . . ?
B6 B1 H1 121.7(12) . . ?
B6 B1 B5 61.12(14) . . ?
B1 B2 H2 128.6(13) . . ?
B1 B2 B3 60.28(15) . . ?
B1 B2 B11 109.43(18) . . ?
B3 B2 H2 118.3(13) . . ?
B3 B2 B11 108.00(18) . . ?
B6 B2 B1 61.50(14) . . ?
B6 B2 H2 128.1(13) . . ?
B6 B2 B3 109.42(18) . . ?
B6 B2 B11 60.42(14) . . ?
C7 B2 B1 104.70(18) . . ?
C7 B2 H2 118.0(13) . . ?
C7 B2 B3 60.09(13) . . ?
C7 B2 B6 102.33(17) . . ?
C7 B2 B11 55.55(13) . . ?
B11 B2 H2 117.7(13) . . ?
B1 B3 H3 130.3(12) . . ?
B2 B3 B1 59.74(14) . . ?
B2 B3 H3 125.7(12) . . ?
B4 B3 B1 59.76(14) . . ?
B4 B3 B2 107.30(18) . . ?
B4 B3 H3 123.0(12) . . ?
C7 B3 B1 103.23(17) . . ?
C7 B3 B2 58.66(13) . . ?
C7 B3 H3 121.3(12) . . ?
C7 B3 B4 102.32(17) . . ?
C8 B3 B1 103.69(17) . . ?
C8 B3 B2 102.67(17) . . ?
C8 B3 H3 119.4(12) . . ?
C8 B3 B4 58.89(13) . . ?
C8 B3 C7 54.28(12) . . ?
B1 B4 H4 123.8(12) . . ?
B1 B4 B5 61.49(14) . . ?
B1 B4 B9 109.47(18) . . ?
B3 B4 B1 60.58(14) . . ?
B3 B4 H4 118.6(12) . . ?
B3 B4 B5 109.47(18) . . ?
B3 B4 B9 107.29(16) . . ?
B5 B4 H4 125.6(11) . . ?
B5 B4 B9 60.72(14) . . ?
C8 B4 B1 104.82(16) . . ?
C8 B4 B3 59.58(13) . . ?
C8 B4 H4 122.5(11) . . ?
C8 B4 B5 102.61(16) . . ?
C8 B4 B9 55.35(13) . . ?
B9 B4 H4 121.3(12) . . ?
B1 B5 H5 123.0(12) . . ?
B1 B5 B6 58.97(14) . . ?
B4 B5 B1 59.05(14) . . ?
B4 B5 H5 122.0(12) . . ?
B4 B5 B6 105.88(17) . . ?
B4 B5 B9 60.37(14) . . ?
B4 B5 B10 110.21(16) . . ?
B6 B5 H5 123.8(12) . . ?
B9 B5 B1 107.27(17) . . ?
B9 B5 H5 121.2(12) . . ?
B9 B5 B6 106.62(15) . . ?
B10 B5 B1 108.39(17) . . ?
B10 B5 H5 119.6(12) . . ?
B10 B5 B6 59.30(13) . . ?
B10 B5 B9 61.74(13) . . ?
B1 B6 B5 59.91(14) . . ?
B1 B6 H6 123.5(12) . . ?
B2 B6 B1 60.26(14) . . ?
B2 B6 B5 107.91(18) . . ?
B2 B6 H6 125.9(12) . . ?
B2 B6 B10 110.74(16) . . ?
B2 B6 B11 61.14(14) . . ?
B5 B6 H6 118.9(12) . . ?
B10 B6 B1 109.06(17) . . ?
B10 B6 B5 59.18(13) . . ?
B10 B6 H6 115.6(12) . . ?
B11 B6 B1 109.02(17) . . ?
B11 B6 B5 107.34(16) . . ?
B11 B6 H6 121.9(12) . . ?
B11 B6 B10 61.28(14) . . ?
B2 C7 B3 61.26(14) . . ?
C8 C7 B2 111.05(16) . . ?
C8 C7 B3 62.08(13) . . ?
C8 C7 B11 114.08(17) . . ?
B11 C7 B2 63.86(14) . . ?
B11 C7 B3 116.04(17) . . ?
C1' C7 B2 120.37(17) . . ?
C1' C7 B3 115.32(16) . . ?
C1' C7 C8 117.24(16) . . ?
C1' C7 B11 119.26(17) . . ?
B3 C8 H8 112.1(14) . . ?
B4 C8 B3 61.52(14) . . ?
B4 C8 H8 120.9(13) . . ?
C7 C8 B3 63.64(14) . . ?
C7 C8 B4 111.83(17) . . ?
C7 C8 H8 115.0(13) . . ?
C7 C8 B9 112.18(17) . . ?
B9 C8 B3 116.98(17) . . ?
B9 C8 B4 64.87(14) . . ?
B9 C8 H8 122.6(13) . . ?
B4 B9 B5 58.91(14) . . ?
B4 B9 H9A 119.5(11) . . ?
B4 B9 B10 106.57(17) . . ?
B4 B9 H9B 123.9(10) . . ?
B5 B9 H9A 122.2(11) . . ?
B5 B9 B10 58.67(13) . . ?
B5 B9 H9B 98.7(6) . . ?
C8 B9 B4 59.78(14) . . ?
C8 B9 B5 104.59(17) . . ?
C8 B9 H9A 123.9(11) . . ?
C8 B9 B10 105.13(16) . . ?
C8 B9 H9B 82.5(9) . . ?
H9A B9 H9B 115.7(15) . . ?
B10 B9 H9A 124.3(12) . . ?
B10 B9 H9B 42.4(6) . . ?
B5 B10 B6 61.52(14) . . ?
B5 B10 B9 59.59(13) . . ?
B5 B10 H9B 100.7(6) . . ?
B5 B10 P10 116.39(14) . . ?
B5 B10 B11 107.22(17) . . ?
B6 B10 B9 106.67(17) . . ?
B6 B10 H9B 120.6(10) . . ?
B6 B10 P10 118.41(15) . . ?
B6 B10 B11 58.77(13) . . ?
B9 B10 H9B 43.6(5) . . ?
B9 B10 P10 124.52(15) . . ?
P10 B10 H9B 119.9(10) . . ?
B11 B10 B9 103.60(16) . . ?
B11 B10 H9B 78.3(9) . . ?
B11 B10 P10 126.33(15) . . ?
C101 P10 B10 111.57(10) . . ?
C102 P10 B10 111.49(10) . . ?
C102 P10 C101 106.01(11) . . ?
C102 P10 C103 108.57(10) . . ?
C103 P10 B10 110.23(10) . . ?
C103 P10 C101 108.81(10) . . ?
B2 B11 B10 107.50(18) . . ?
B2 B11 H11 120.2(12) . . ?
B6 B11 B2 58.44(14) . . ?
B6 B11 B10 59.95(14) . . ?
B6 B11 H11 126.0(12) . . ?
C7 B11 B2 60.59(14) . . ?
C7 B11 B6 104.65(18) . . ?
C7 B11 B10 104.83(17) . . ?
C7 B11 H11 120.7(12) . . ?
B10 B11 H11 125.2(12) . . ?
P10 C101 H10A 109.5 . . ?
P10 C101 H10B 109.5 . . ?
P10 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
P10 C102 H10D 109.5 . . ?
P10 C102 H10E 109.5 . . ?
P10 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 P10 120.96(17) . . ?
C108 C103 P10 119.82(16) . . ?
C108 C103 C104 119.09(19) . . ?
C103 C104 H104 119.9 . . ?
C105 C104 C103 120.2(2) . . ?
C105 C104 H104 119.9 . . ?
C104 C105 H105 119.8 . . ?
C104 C105 C106 120.3(2) . . ?
C106 C105 H105 119.8 . . ?
C105 C106 H106 119.9 . . ?
C107 C106 C105 120.1(2) . . ?
C107 C106 H106 119.9 . . ?
C106 C107 H107 119.9 . . ?
C106 C107 C108 120.2(2) . . ?
C108 C107 H107 119.9 . . ?
C103 C108 H108 119.9 . . ?
C107 C108 C103 120.1(2) . . ?
C107 C108 H108 119.9 . . ?
C7 C1' C2' 116.25(17) . . ?
C7 C1' B3' 117.39(17) . . ?
C7 C1' B4' 123.10(17) . . ?
C7 C1' B5' 123.18(16) . . ?
C7 C1' B6' 118.00(16) . . ?
C2' C1' B3' 61.07(14) . . ?
C2' C1' B4' 110.40(16) . . ?
C2' C1' B5' 110.69(16) . . ?
C2' C1' B6' 61.05(13) . . ?
B3' C1' B4' 61.53(14) . . ?
B3' C1' B5' 112.30(16) . . ?
B3' C1' B6' 112.04(16) . . ?
B4' C1' B5' 61.90(13) . . ?
B4' C1' B6' 112.06(16) . . ?
B5' C1' B6' 61.69(13) . . ?
C1' C2' H2' 116.9(12) . . ?
C1' C2' B3' 60.16(13) . . ?
C1' C2' B6' 60.77(13) . . ?
C1' C2' B7' 109.84(18) . . ?
C1' C2' B11' 110.03(18) . . ?
B3' C2' H2' 119.9(12) . . ?
B3' C2' B6' 111.07(18) . . ?
B3' C2' B7' 61.58(15) . . ?
B3' C2' B11' 111.73(18) . . ?
B6' C2' H2' 116.2(12) . . ?
B7' C2' H2' 124.2(12) . . ?
B7' C2' B6' 112.18(18) . . ?
B7' C2' B11' 61.96(15) . . ?
B11' C2' H2' 122.2(12) . . ?
B11' C2' B6' 61.71(14) . . ?
C1' B3' C2' 58.77(13) . . ?
C1' B3' H3' 116.1(14) . . ?
C1' B3' B4' 59.39(13) . . ?
C1' B3' B7' 106.98(18) . . ?
C1' B3' B8' 107.15(18) . . ?
C2' B3' H3' 118.8(14) . . ?
C2' B3' B4' 106.85(18) . . ?
C2' B3' B7' 59.40(15) . . ?
C2' B3' B8' 107.20(18) . . ?
B4' B3' H3' 120.8(14) . . ?
B4' B3' B7' 109.23(18) . . ?
B7' B3' H3' 125.4(14) . . ?
B8' B3' H3' 128.2(14) . . ?
B8' B3' B4' 60.59(14) . . ?
B8' B3' B7' 60.80(15) . . ?
C1' B4' B3' 59.09(14) . . ?
C1' B4' H4' 115.5(13) . . ?
C1' B4' B5' 59.23(13) . . ?
C1' B4' B8' 106.10(18) . . ?
C1' B4' B9' 106.55(17) . . ?
B3' B4' H4' 118.1(13) . . ?
B3' B4' B5' 108.14(18) . . ?
B3' B4' B8' 59.56(14) . . ?
B3' B4' B9' 108.28(18) . . ?
B5' B4' H4' 119.1(13) . . ?
B8' B4' H4' 127.3(13) . . ?
B8' B4' B5' 109.22(18) . . ?
B9' B4' H4' 128.5(13) . . ?
B9' B4' B5' 60.63(14) . . ?
B9' B4' B8' 60.84(14) . . ?
C1' B5' B4' 58.87(13) . . ?
C1' B5' H5' 119.7(12) . . ?
C1' B5' B6' 59.41(13) . . ?
C1' B5' B9' 105.42(16) . . ?
C1' B5' B10' 105.78(16) . . ?
B4' B5' H5' 119.6(12) . . ?
B4' B5' B6' 107.77(17) . . ?
B4' B5' B9' 59.53(14) . . ?
B4' B5' B10' 107.96(17) . . ?
B6' B5' H5' 121.3(12) . . ?
B6' B5' B9' 107.77(17) . . ?
B6' B5' B10' 59.47(14) . . ?
B9' B5' H5' 125.0(12) . . ?
B9' B5' B10' 60.53(14) . . ?
B10' B5' H5' 125.9(12) . . ?
C1' B6' C2' 58.18(13) . . ?
C1' B6' B5' 58.89(13) . . ?
C1' B6' H6' 115.7(12) . . ?
C1' B6' B10' 106.34(17) . . ?
C1' B6' B11' 105.87(17) . . ?
C2' B6' B5' 106.14(18) . . ?
C2' B6' H6' 118.1(13) . . ?
C2' B6' B10' 106.64(17) . . ?
C2' B6' B11' 59.08(14) . . ?
B5' B6' H6' 121.2(13) . . ?
B5' B6' B11' 108.88(17) . . ?
B10' B6' B5' 60.69(14) . . ?
B10' B6' H6' 129.8(13) . . ?
B10' B6' B11' 60.63(14) . . ?
B11' B6' H6' 126.1(12) . . ?
C2' B7' B3' 59.02(14) . . ?
C2' B7' H7' 118.3(13) . . ?
C2' B7' B8' 105.46(17) . . ?
C2' B7' B11' 59.05(14) . . ?
C2' B7' B12' 105.69(18) . . ?
B3' B7' H7' 118.3(13) . . ?
B3' B7' B8' 58.96(15) . . ?
B3' B7' B11' 107.33(17) . . ?
B3' B7' B12' 106.77(18) . . ?
B8' B7' H7' 125.0(13) . . ?
B8' B7' B11' 108.07(18) . . ?
B8' B7' B12' 60.07(15) . . ?
B11' B7' H7' 122.0(13) . . ?
B12' B7' H7' 128.2(12) . . ?
B12' B7' B11' 60.12(15) . . ?
B3' B8' B4' 59.85(14) . . ?
B3' B8' B7' 60.23(15) . . ?
B3' B8' H8' 117.6(13) . . ?
B3' B8' B9' 107.44(17) . . ?
B3' B8' B12' 107.73(19) . . ?
B4' B8' B7' 108.20(17) . . ?
B4' B8' H8' 119.2(12) . . ?
B4' B8' B9' 59.50(14) . . ?
B4' B8' B12' 107.54(18) . . ?
B7' B8' H8' 121.3(13) . . ?
B7' B8' B9' 108.16(19) . . ?
B7' B8' B12' 60.01(15) . . ?
B9' B8' H8' 124.5(13) . . ?
B12' B8' H8' 126.3(12) . . ?
B12' B8' B9' 60.02(15) . . ?
B4' B9' B5' 59.84(13) . . ?
B4' B9' B8' 59.66(14) . . ?
B4' B9' H9' 120.8(12) . . ?
B4' B9' B10' 107.66(17) . . ?
B4' B9' B12' 107.56(18) . . ?
B5' B9' B8' 107.65(17) . . ?
B5' B9' H9' 118.0(12) . . ?
B5' B9' B10' 59.84(14) . . ?
B5' B9' B12' 107.94(18) . . ?
B8' B9' H9' 125.0(13) . . ?
B8' B9' B10' 108.00(18) . . ?
B10' B9' H9' 120.4(13) . . ?
B12' B9' B8' 59.89(15) . . ?
B12' B9' H9' 124.9(12) . . ?
B12' B9' B10' 60.27(15) . . ?
B5' B10' B9' 59.63(14) . . ?
B5' B10' H10' 120.1(12) . . ?
B5' B10' B11' 107.80(17) . . ?
B5' B10' B12' 107.15(18) . . ?
B6' B10' B5' 59.84(13) . . ?
B6' B10' B9' 107.34(17) . . ?
B6' B10' H10' 118.4(12) . . ?
B6' B10' B11' 60.11(14) . . ?
B6' B10' B12' 107.43(18) . . ?
B9' B10' H10' 124.6(13) . . ?
B9' B10' B12' 59.50(15) . . ?
B11' B10' B9' 107.39(18) . . ?
B11' B10' H10' 121.4(13) . . ?
B11' B10' B12' 59.72(14) . . ?
B12' B10' H10' 125.6(12) . . ?
C2' B11' B6' 59.22(13) . . ?
C2' B11' B7' 58.99(14) . . ?
C2' B11' B10' 105.69(17) . . ?
C2' B11' H11' 119.5(12) . . ?
C2' B11' B12' 105.44(19) . . ?
B6' B11' B7' 107.76(17) . . ?
B6' B11' B10' 59.27(14) . . ?
B6' B11' H11' 120.9(12) . . ?
B6' B11' B12' 107.33(18) . . ?
B7' B11' B10' 108.37(19) . . ?
B7' B11' H11' 119.8(12) . . ?
B7' B11' B12' 59.87(15) . . ?
B10' B11' H11' 125.7(13) . . ?
B12' B11' B10' 60.43(15) . . ?
B12' B11' H11' 125.7(12) . . ?
B7' B12' B8' 59.92(15) . . ?
B7' B12' B9' 108.16(18) . . ?
B7' B12' B10' 108.01(17) . . ?
B7' B12' B11' 60.01(15) . . ?
B7' B12' H12' 120.5(13) . . ?
B8' B12' B9' 60.09(15) . . ?
B8' B12' B10' 108.13(17) . . ?
B8' B12' B11' 107.87(18) . . ?
B8' B12' H12' 120.5(13) . . ?
B9' B12' B10' 60.23(14) . . ?
B9' B12' B11' 108.08(17) . . ?
B9' B12' H12' 121.9(13) . . ?
B10' B12' H12' 123.1(13) . . ?
B11' B12' B10' 59.85(14) . . ?
B11' B12' H12' 122.3(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 B2 B3 B4 37.59(16) . . . . ?
B1 B2 B3 C7 131.72(17) . . . . ?
B1 B2 B3 C8 98.61(17) . . . . ?
B1 B2 B6 B5 -37.67(16) . . . . ?
B1 B2 B6 B10 -100.71(19) . . . . ?
B1 B2 B6 B11 -138.02(19) . . . . ?
B1 B2 C7 B3 -42.08(16) . . . . ?
B1 B2 C7 C8 -3.6(2) . . . . ?
B1 B2 C7 B11 103.71(19) . . . . ?
B1 B2 C7 C1' -146.20(18) . . . . ?
B1 B2 B11 B6 38.56(17) . . . . ?
B1 B2 B11 C7 -94.84(19) . . . . ?
B1 B2 B11 B10 2.6(2) . . . . ?
B1 B3 B4 B5 38.69(17) . . . . ?
B1 B3 B4 C8 132.19(18) . . . . ?
B1 B3 B4 B9 103.02(19) . . . . ?
B1 B3 C7 B2 41.47(16) . . . . ?
B1 B3 C7 C8 -97.49(17) . . . . ?
B1 B3 C7 B11 7.3(2) . . . . ?
B1 B3 C7 C1' 153.71(17) . . . . ?
B1 B3 C8 B4 -41.21(16) . . . . ?
B1 B3 C8 C7 96.60(18) . . . . ?
B1 B3 C8 B9 -6.1(2) . . . . ?
B1 B4 B5 B6 37.30(15) . . . . ?
B1 B4 B5 B9 137.68(17) . . . . ?
B1 B4 B5 B10 99.85(18) . . . . ?
B1 B4 C8 B3 41.88(17) . . . . ?
B1 B4 C8 C7 1.5(2) . . . . ?
B1 B4 C8 B9 -103.67(19) . . . . ?
B1 B4 B9 B5 -38.87(16) . . . . ?
B1 B4 B9 C8 94.90(18) . . . . ?
B1 B4 B9 B10 -3.3(2) . . . . ?
B1 B5 B6 B2 37.83(16) . . . . ?
B1 B5 B6 B10 141.74(17) . . . . ?
B1 B5 B6 B11 102.33(19) . . . . ?
B1 B5 B9 B4 37.20(16) . . . . ?
B1 B5 B9 C8 -2.9(2) . . . . ?
B1 B5 B9 B10 -102.00(18) . . . . ?
B1 B5 B10 B6 -34.00(16) . . . . ?
B1 B5 B10 B9 100.17(18) . . . . ?
B1 B5 B10 P10 -143.57(15) . . . . ?
B1 B5 B10 B11 4.2(2) . . . . ?
B1 B6 B10 B5 34.53(16) . . . . ?
B1 B6 B10 B9 -5.7(2) . . . . ?
B1 B6 B10 P10 140.87(15) . . . . ?
B1 B6 B10 B11 -101.76(18) . . . . ?
B1 B6 B11 B2 -37.90(17) . . . . ?
B1 B6 B11 C7 3.0(2) . . . . ?
B1 B6 B11 B10 101.83(18) . . . . ?
B2 B1 B3 B4 -137.61(19) . . . . ?
B2 B1 B3 C7 -40.91(15) . . . . ?
B2 B1 B3 C8 -96.85(18) . . . . ?
B2 B1 B4 B3 37.72(17) . . . . ?
B2 B1 B4 B5 -100.16(19) . . . . ?
B2 B1 B4 C8 -3.7(2) . . . . ?
B2 B1 B4 B9 -61.6(2) . . . . ?
B2 B1 B5 B4 100.38(18) . . . . ?
B2 B1 B5 B6 -36.76(16) . . . . ?
B2 B1 B5 B9 62.6(2) . . . . ?
B2 B1 B5 B10 -2.6(2) . . . . ?
B2 B1 B6 B5 137.77(17) . . . . ?
B2 B1 B6 B10 103.53(18) . . . . ?
B2 B1 B6 B11 38.29(17) . . . . ?
B2 B3 B4 B1 -37.58(17) . . . . ?
B2 B3 B4 B5 1.1(2) . . . . ?
B2 B3 B4 C8 94.61(18) . . . . ?
B2 B3 B4 B9 65.4(2) . . . . ?
B2 B3 C7 C8 -138.96(17) . . . . ?
B2 B3 C7 B11 -34.18(18) . . . . ?
B2 B3 C7 C1' 112.24(19) . . . . ?
B2 B3 C8 B4 -102.73(18) . . . . ?
B2 B3 C8 C7 35.08(15) . . . . ?
B2 B3 C8 B9 -67.7(2) . . . . ?
B2 B6 B10 B5 99.04(19) . . . . ?
B2 B6 B10 B9 58.8(2) . . . . ?
B2 B6 B10 P10 -154.62(15) . . . . ?
B2 B6 B10 B11 -37.25(17) . . . . ?
B2 B6 B11 C7 40.86(17) . . . . ?
B2 B6 B11 B10 139.74(19) . . . . ?
B2 C7 C8 B3 -38.08(16) . . . . ?
B2 C7 C8 B4 1.4(2) . . . . ?
B2 C7 C8 B9 72.1(2) . . . . ?
B2 C7 B11 B6 -39.79(16) . . . . ?
B2 C7 B11 B10 -102.00(18) . . . . ?
B2 C7 C1' C2' -105.8(2) . . . . ?
B2 C7 C1' B3' -36.4(3) . . . . ?
B2 C7 C1' B4' 36.0(3) . . . . ?
B2 C7 C1' B5' 111.7(2) . . . . ?
B2 C7 C1' B6' -175.35(17) . . . . ?
B3 B1 B2 B6 138.22(18) . . . . ?
B3 B1 B2 C7 41.98(16) . . . . ?
B3 B1 B2 B11 100.1(2) . . . . ?
B3 B1 B4 B5 -137.88(18) . . . . ?
B3 B1 B4 C8 -41.37(16) . . . . ?
B3 B1 B4 B9 -99.35(18) . . . . ?
B3 B1 B5 B4 37.28(16) . . . . ?
B3 B1 B5 B6 -99.87(18) . . . . ?
B3 B1 B5 B9 -0.5(2) . . . . ?
B3 B1 B5 B10 -65.7(2) . . . . ?
B3 B1 B6 B2 -37.01(17) . . . . ?
B3 B1 B6 B5 100.76(18) . . . . ?
B3 B1 B6 B10 66.5(2) . . . . ?
B3 B1 B6 B11 1.3(2) . . . . ?
B3 B2 B6 B1 37.85(16) . . . . ?
B3 B2 B6 B5 0.2(2) . . . . ?
B3 B2 B6 B10 -62.9(2) . . . . ?
B3 B2 B6 B11 -100.17(19) . . . . ?
B3 B2 C7 C8 38.43(17) . . . . ?
B3 B2 C7 B11 145.79(18) . . . . ?
B3 B2 C7 C1' -104.1(2) . . . . ?
B3 B2 B11 B6 102.57(19) . . . . ?
B3 B2 B11 C7 -30.83(16) . . . . ?
B3 B2 B11 B10 66.7(2) . . . . ?
B3 B4 B5 B1 -38.29(17) . . . . ?
B3 B4 B5 B6 -1.0(2) . . . . ?
B3 B4 B5 B9 99.39(18) . . . . ?
B3 B4 B5 B10 61.6(2) . . . . ?
B3 B4 C8 C7 -40.41(17) . . . . ?
B3 B4 C8 B9 -145.55(18) . . . . ?
B3 B4 B9 B5 -103.05(19) . . . . ?
B3 B4 B9 C8 30.72(16) . . . . ?
B3 B4 B9 B10 -67.4(2) . . . . ?
B3 C7 C8 B4 39.49(17) . . . . ?
B3 C7 C8 B9 110.17(19) . . . . ?
B3 C7 B11 B2 33.28(18) . . . . ?
B3 C7 B11 B6 -6.5(2) . . . . ?
B3 C7 B11 B10 -68.7(2) . . . . ?
B3 C7 C1' C2' -175.94(17) . . . . ?
B3 C7 C1' B3' -106.6(2) . . . . ?
B3 C7 C1' B4' -34.2(3) . . . . ?
B3 C7 C1' B5' 41.6(3) . . . . ?
B3 C7 C1' B6' 114.5(2) . . . . ?
B3 C8 B9 B4 -33.91(18) . . . . ?
B3 C8 B9 B5 5.8(2) . . . . ?
B3 C8 B9 B10 66.7(2) . . . . ?
B4 B1 B2 B3 -37.57(17) . . . . ?
B4 B1 B2 B6 100.65(19) . . . . ?
B4 B1 B2 C7 4.4(2) . . . . ?
B4 B1 B2 B11 62.6(2) . . . . ?
B4 B1 B3 B2 137.61(19) . . . . ?
B4 B1 B3 C7 96.70(18) . . . . ?
B4 B1 B3 C8 40.76(16) . . . . ?
B4 B1 B5 B6 -137.14(16) . . . . ?
B4 B1 B5 B9 -37.79(15) . . . . ?
B4 B1 B5 B10 -103.02(18) . . . . ?
B4 B1 B6 B2 -99.77(18) . . . . ?
B4 B1 B6 B5 38.00(15) . . . . ?
B4 B1 B6 B10 3.8(2) . . . . ?
B4 B1 B6 B11 -61.5(2) . . . . ?
B4 B3 C7 B2 102.90(18) . . . . ?
B4 B3 C7 C8 -36.06(15) . . . . ?
B4 B3 C7 B11 68.7(2) . . . . ?
B4 B3 C7 C1' -144.86(17) . . . . ?
B4 B3 C8 C7 137.81(17) . . . . ?
B4 B3 C8 B9 35.07(18) . . . . ?
B4 B5 B6 B1 -37.33(15) . . . . ?
B4 B5 B6 B2 0.5(2) . . . . ?
B4 B5 B6 B10 104.41(17) . . . . ?
B4 B5 B6 B11 65.0(2) . . . . ?
B4 B5 B9 C8 -40.15(16) . . . . ?
B4 B5 B9 B10 -139.20(17) . . . . ?
B4 B5 B10 B6 -96.92(19) . . . . ?
B4 B5 B10 B9 37.25(16) . . . . ?
B4 B5 B10 P10 153.51(15) . . . . ?
B4 B5 B10 B11 -58.7(2) . . . . ?
B4 C8 B9 B5 39.72(15) . . . . ?
B4 C8 B9 B10 100.62(17) . . . . ?
B4 B9 B10 B5 -35.72(15) . . . . ?
B4 B9 B10 B6 5.4(2) . . . . ?
B4 B9 B10 P10 -138.53(16) . . . . ?
B4 B9 B10 B11 66.47(19) . . . . ?
B5 B1 B2 B3 -100.17(19) . . . . ?
B5 B1 B2 B6 38.05(16) . . . . ?
B5 B1 B2 C7 -58.2(2) . . . . ?
B5 B1 B2 B11 0.0(2) . . . . ?
B5 B1 B3 B2 100.42(19) . . . . ?
B5 B1 B3 B4 -37.19(16) . . . . ?
B5 B1 B3 C7 59.5(2) . . . . ?
B5 B1 B3 C8 3.6(2) . . . . ?
B5 B1 B4 B3 137.88(18) . . . . ?
B5 B1 B4 C8 96.51(18) . . . . ?
B5 B1 B4 B9 38.53(15) . . . . ?
B5 B1 B6 B2 -137.77(17) . . . . ?
B5 B1 B6 B10 -34.24(15) . . . . ?
B5 B1 B6 B11 -99.48(18) . . . . ?
B5 B4 C8 B3 105.35(18) . . . . ?
B5 B4 C8 C7 64.9(2) . . . . ?
B5 B4 C8 B9 -40.20(16) . . . . ?
B5 B4 B9 C8 133.77(17) . . . . ?
B5 B4 B9 B10 35.61(15) . . . . ?
B5 B6 B10 B9 -40.22(15) . . . . ?
B5 B6 B10 P10 106.35(17) . . . . ?
B5 B6 B10 B11 -136.28(18) . . . . ?
B5 B6 B11 B2 -101.29(19) . . . . ?
B5 B6 B11 C7 -60.4(2) . . . . ?
B5 B6 B11 B10 38.45(16) . . . . ?
B5 B9 B10 B6 41.16(15) . . . . ?
B5 B9 B10 P10 -102.81(18) . . . . ?
B5 B9 B10 B11 102.19(18) . . . . ?
B5 B10 B11 B2 -4.2(2) . . . . ?
B5 B10 B11 B6 -39.49(16) . . . . ?
B5 B10 B11 C7 59.1(2) . . . . ?
B6 B1 B2 B3 -138.22(18) . . . . ?
B6 B1 B2 C7 -96.24(18) . . . . ?
B6 B1 B2 B11 -38.09(17) . . . . ?
B6 B1 B3 B2 36.24(16) . . . . ?
B6 B1 B3 B4 -101.37(18) . . . . ?
B6 B1 B3 C7 -4.7(2) . . . . ?
B6 B1 B3 C8 -60.6(2) . . . . ?
B6 B1 B4 B3 99.14(18) . . . . ?
B6 B1 B4 B5 -38.75(15) . . . . ?
B6 B1 B4 C8 57.8(2) . . . . ?
B6 B1 B4 B9 -0.2(2) . . . . ?
B6 B1 B5 B4 137.14(16) . . . . ?
B6 B1 B5 B9 99.35(17) . . . . ?
B6 B1 B5 B10 34.13(16) . . . . ?
B6 B2 B3 B1 -38.38(17) . . . . ?
B6 B2 B3 B4 -0.8(2) . . . . ?
B6 B2 B3 C7 93.34(18) . . . . ?
B6 B2 B3 C8 60.2(2) . . . . ?
B6 B2 C7 B3 -105.49(18) . . . . ?
B6 B2 C7 C8 -67.1(2) . . . . ?
B6 B2 C7 B11 40.30(16) . . . . ?
B6 B2 C7 C1' 150.40(18) . . . . ?
B6 B2 B11 C7 -133.40(18) . . . . ?
B6 B2 B11 B10 -35.92(16) . . . . ?
B6 B5 B9 B4 99.14(18) . . . . ?
B6 B5 B9 C8 59.0(2) . . . . ?
B6 B5 B9 B10 -40.06(15) . . . . ?
B6 B5 B10 B9 134.17(17) . . . . ?
B6 B5 B10 P10 -109.57(17) . . . . ?
B6 B5 B10 B11 38.22(16) . . . . ?
B6 B10 B11 B2 35.27(17) . . . . ?
B6 B10 B11 C7 98.58(19) . . . . ?
C7 B2 B3 B1 -131.72(17) . . . . ?
C7 B2 B3 B4 -94.13(18) . . . . ?
C7 B2 B3 C8 -33.12(14) . . . . ?
C7 B2 B6 B1 100.19(18) . . . . ?
C7 B2 B6 B5 62.52(19) . . . . ?
C7 B2 B6 B10 -0.5(2) . . . . ?
C7 B2 B6 B11 -37.83(15) . . . . ?
C7 B2 B11 B6 133.40(18) . . . . ?
C7 B2 B11 B10 97.48(18) . . . . ?
C7 B3 B4 B1 -98.26(18) . . . . ?
C7 B3 B4 B5 -59.6(2) . . . . ?
C7 B3 B4 C8 33.92(14) . . . . ?
C7 B3 B4 B9 4.8(2) . . . . ?
C7 B3 C8 B4 -137.81(17) . . . . ?
C7 B3 C8 B9 -102.73(19) . . . . ?
C7 C8 B9 B4 -104.62(19) . . . . ?
C7 C8 B9 B5 -64.9(2) . . . . ?
C7 C8 B9 B10 -4.0(2) . . . . ?
C7 C1' C2' B3' 108.27(19) . . . . ?
C7 C1' C2' B6' -108.99(19) . . . . ?
C7 C1' C2' B7' 146.06(18) . . . . ?
C7 C1' C2' B11' -147.54(18) . . . . ?
C7 C1' B3' C2' -106.4(2) . . . . ?
C7 C1' B3' B4' 114.7(2) . . . . ?
C7 C1' B3' B7' -142.57(19) . . . . ?
C7 C1' B3' B8' 153.51(19) . . . . ?
C7 C1' B4' B3' -105.7(2) . . . . ?
C7 C1' B4' B5' 113.1(2) . . . . ?
C7 C1' B4' B8' -143.78(19) . . . . ?
C7 C1' B4' B9' 152.53(18) . . . . ?
C7 C1' B5' B4' -113.0(2) . . . . ?
C7 C1' B5' B6' 106.6(2) . . . . ?
C7 C1' B5' B9' -151.63(19) . . . . ?
C7 C1' B5' B10' 145.27(19) . . . . ?
C7 C1' B6' C2' 106.2(2) . . . . ?
C7 C1' B6' B5' -114.69(19) . . . . ?
C7 C1' B6' B10' -154.10(17) . . . . ?
C7 C1' B6' B11' 142.52(18) . . . . ?
C8 B3 B4 B1 -132.19(18) . . . . ?
C8 B3 B4 B5 -93.50(18) . . . . ?
C8 B3 B4 B9 -29.17(16) . . . . ?
C8 B3 C7 B2 138.96(17) . . . . ?
C8 B3 C7 B11 104.78(19) . . . . ?
C8 B3 C7 C1' -108.80(19) . . . . ?
C8 B4 B5 B1 -100.18(17) . . . . ?
C8 B4 B5 B6 -62.88(19) . . . . ?
C8 B4 B5 B9 37.50(15) . . . . ?
C8 B4 B5 B10 -0.3(2) . . . . ?
C8 B4 B9 B5 -133.77(17) . . . . ?
C8 B4 B9 B10 -98.15(17) . . . . ?
C8 C7 B11 B2 102.64(18) . . . . ?
C8 C7 B11 B6 62.9(2) . . . . ?
C8 C7 B11 B10 0.6(2) . . . . ?
C8 C7 C1' C2' 113.9(2) . . . . ?
C8 C7 C1' B3' -176.74(18) . . . . ?
C8 C7 C1' B4' -104.4(2) . . . . ?
C8 C7 C1' B5' -28.6(3) . . . . ?
C8 C7 C1' B6' 44.3(2) . . . . ?
C8 B9 B10 B5 -98.10(18) . . . . ?
C8 B9 B10 B6 -56.94(19) . . . . ?
C8 B9 B10 P10 159.09(15) . . . . ?
C8 B9 B10 B11 4.1(2) . . . . ?
B9 B4 B5 B1 -137.68(17) . . . . ?
B9 B4 B5 B6 -100.38(17) . . . . ?
B9 B4 B5 B10 -37.83(16) . . . . ?
B9 B4 C8 B3 145.55(18) . . . . ?
B9 B4 C8 C7 105.14(19) . . . . ?
B9 B5 B6 B1 -100.49(18) . . . . ?
B9 B5 B6 B2 -62.7(2) . . . . ?
B9 B5 B6 B10 41.25(16) . . . . ?
B9 B5 B6 B11 1.8(2) . . . . ?
B9 B5 B10 B6 -134.17(17) . . . . ?
B9 B5 B10 P10 116.26(17) . . . . ?
B9 B5 B10 B11 -95.95(17) . . . . ?
B9 B10 B11 B2 -66.2(2) . . . . ?
B9 B10 B11 B6 -101.44(18) . . . . ?
B9 B10 B11 C7 -2.9(2) . . . . ?
B10 B5 B6 B1 -141.74(17) . . . . ?
B10 B5 B6 B2 -103.91(18) . . . . ?
B10 B5 B6 B11 -39.41(16) . . . . ?
B10 B5 B9 B4 139.20(17) . . . . ?
B10 B5 B9 C8 99.05(17) . . . . ?
B10 B6 B11 B2 -139.74(19) . . . . ?
B10 B6 B11 C7 -98.88(18) . . . . ?
B10 P10 C103 C104 102.13(19) . . . . ?
B10 P10 C103 C108 -73.83(19) . . . . ?
P10 B10 B11 B2 139.44(17) . . . . ?
P10 B10 B11 B6 104.2(2) . . . . ?
P10 B10 B11 C7 -157.26(16) . . . . ?
P10 C103 C104 C105 -175.90(17) . . . . ?
P10 C103 C108 C107 176.50(17) . . . . ?
B11 B2 B3 B1 -102.54(19) . . . . ?
B11 B2 B3 B4 -65.0(2) . . . . ?
B11 B2 B3 C7 29.18(15) . . . . ?
B11 B2 B3 C8 -3.9(2) . . . . ?
B11 B2 B6 B1 138.02(19) . . . . ?
B11 B2 B6 B5 100.35(18) . . . . ?
B11 B2 B6 B10 37.30(17) . . . . ?
B11 B2 C7 B3 -145.79(18) . . . . ?
B11 B2 C7 C8 -107.35(19) . . . . ?
B11 B2 C7 C1' 110.1(2) . . . . ?
B11 B6 B10 B5 136.28(18) . . . . ?
B11 B6 B10 B9 96.06(17) . . . . ?
B11 B6 B10 P10 -117.37(18) . . . . ?
B11 C7 C8 B3 -107.90(19) . . . . ?
B11 C7 C8 B4 -68.4(2) . . . . ?
B11 C7 C8 B9 2.3(2) . . . . ?
B11 C7 C1' C2' -30.7(3) . . . . ?
B11 C7 C1' B3' 38.7(3) . . . . ?
B11 C7 C1' B4' 111.1(2) . . . . ?
B11 C7 C1' B5' -173.14(19) . . . . ?
B11 C7 C1' B6' -100.2(2) . . . . ?
C101 P10 C103 C104 -135.23(18) . . . . ?
C101 P10 C103 C108 48.8(2) . . . . ?
C102 P10 C103 C104 -20.3(2) . . . . ?
C102 P10 C103 C108 163.78(17) . . . . ?
C103 C104 C105 C106 0.2(3) . . . . ?
C104 C103 C108 C107 0.5(3) . . . . ?
C104 C105 C106 C107 -1.0(4) . . . . ?
C105 C106 C107 C108 1.5(4) . . . . ?
C106 C107 C108 C103 -1.3(3) . . . . ?
C108 C103 C104 C105 0.1(3) . . . . ?
C1' C7 C8 B3 105.76(19) . . . . ?
C1' C7 C8 B4 145.25(18) . . . . ?
C1' C7 C8 B9 -144.07(19) . . . . ?
C1' C7 B11 B2 -111.8(2) . . . . ?
C1' C7 B11 B6 -151.54(18) . . . . ?
C1' C7 B11 B10 146.25(18) . . . . ?
C1' C2' B3' B4' 36.30(15) . . . . ?
C1' C2' B3' B7' 139.05(18) . . . . ?
C1' C2' B3' B8' 99.97(18) . . . . ?
C1' C2' B6' B5' -35.65(14) . . . . ?
C1' C2' B6' B10' -99.21(18) . . . . ?
C1' C2' B6' B11' -138.32(18) . . . . ?
C1' C2' B7' B3' -37.18(17) . . . . ?
C1' C2' B7' B8' 0.6(2) . . . . ?
C1' C2' B7' B11' 102.7(2) . . . . ?
C1' C2' B7' B12' 63.2(2) . . . . ?
C1' C2' B11' B6' 38.14(16) . . . . ?
C1' C2' B11' B7' -102.4(2) . . . . ?
C1' C2' B11' B10' -0.1(2) . . . . ?
C1' C2' B11' B12' -63.1(2) . . . . ?
C1' B3' B4' B5' 34.55(15) . . . . ?
C1' B3' B4' B8' 136.63(18) . . . . ?
C1' B3' B4' B9' 98.74(18) . . . . ?
C1' B3' B7' C2' 35.87(16) . . . . ?
C1' B3' B7' B8' -100.52(19) . . . . ?
C1' B3' B7' B11' 0.5(2) . . . . ?
C1' B3' B7' B12' -62.7(2) . . . . ?
C1' B3' B8' B4' -38.21(16) . . . . ?
C1' B3' B8' B7' 100.23(19) . . . . ?
C1' B3' B8' B9' -1.1(2) . . . . ?
C1' B3' B8' B12' 62.2(2) . . . . ?
C1' B4' B5' B6' 35.14(15) . . . . ?
C1' B4' B5' B9' 135.70(18) . . . . ?
C1' B4' B5' B10' 97.95(18) . . . . ?
C1' B4' B8' B3' 37.83(17) . . . . ?
C1' B4' B8' B7' 0.5(2) . . . . ?
C1' B4' B8' B9' -100.28(18) . . . . ?
C1' B4' B8' B12' -62.9(2) . . . . ?
C1' B4' B9' B5' -38.76(15) . . . . ?
C1' B4' B9' B8' 99.53(19) . . . . ?
C1' B4' B9' B10' -1.4(2) . . . . ?
C1' B4' B9' B12' 62.2(2) . . . . ?
C1' B5' B6' C2' 35.34(14) . . . . ?
C1' B5' B6' B10' 135.68(17) . . . . ?
C1' B5' B6' B11' 97.54(18) . . . . ?
C1' B5' B9' B4' 38.33(16) . . . . ?
C1' B5' B9' B8' 1.3(2) . . . . ?
C1' B5' B9' B10' -99.69(18) . . . . ?
C1' B5' B9' B12' -62.0(2) . . . . ?
C1' B5' B10' B6' -38.68(16) . . . . ?
C1' B5' B10' B9' 99.07(18) . . . . ?
C1' B5' B10' B11' -1.1(2) . . . . ?
C1' B5' B10' B12' 61.9(2) . . . . ?
C1' B6' B10' B5' 38.56(15) . . . . ?
C1' B6' B10' B9' 1.1(2) . . . . ?
C1' B6' B10' B11' -99.33(18) . . . . ?
C1' B6' B10' B12' -61.5(2) . . . . ?
C1' B6' B11' C2' -35.97(16) . . . . ?
C1' B6' B11' B7' -1.1(2) . . . . ?
C1' B6' B11' B10' 100.11(18) . . . . ?
C1' B6' B11' B12' 62.0(2) . . . . ?
C2' C1' B3' B4' -138.83(18) . . . . ?
C2' C1' B3' B7' -36.14(17) . . . . ?
C2' C1' B3' B8' -100.1(2) . . . . ?
C2' C1' B4' B3' 37.93(17) . . . . ?
C2' C1' B4' B5' -103.23(18) . . . . ?
C2' C1' B4' B8' -0.1(2) . . . . ?
C2' C1' B4' B9' -63.8(2) . . . . ?
C2' C1' B5' B4' 102.75(18) . . . . ?
C2' C1' B5' B6' -37.71(16) . . . . ?
C2' C1' B5' B9' 64.1(2) . . . . ?
C2' C1' B5' B10' 1.0(2) . . . . ?
C2' C1' B6' B5' 139.16(17) . . . . ?
C2' C1' B6' B10' 99.75(18) . . . . ?
C2' C1' B6' B11' 36.37(16) . . . . ?
C2' B3' B4' C1' -36.03(15) . . . . ?
C2' B3' B4' B5' -1.5(2) . . . . ?
C2' B3' B4' B8' 100.60(19) . . . . ?
C2' B3' B4' B9' 62.7(2) . . . . ?
C2' B3' B7' B8' -136.39(19) . . . . ?
C2' B3' B7' B11' -35.34(18) . . . . ?
C2' B3' B7' B12' -98.5(2) . . . . ?
C2' B3' B8' B4' -100.01(19) . . . . ?
C2' B3' B8' B7' 38.43(17) . . . . ?
C2' B3' B8' B9' -62.9(2) . . . . ?
C2' B3' B8' B12' 0.4(2) . . . . ?
C2' B6' B10' B5' 99.50(18) . . . . ?
C2' B6' B10' B9' 62.1(2) . . . . ?
C2' B6' B10' B11' -38.39(17) . . . . ?
C2' B6' B10' B12' -0.6(2) . . . . ?
C2' B6' B11' B7' 34.87(18) . . . . ?
C2' B6' B11' B10' 136.08(19) . . . . ?
C2' B6' B11' B12' 98.0(2) . . . . ?
C2' B7' B8' B3' -37.85(17) . . . . ?
C2' B7' B8' B4' -0.7(2) . . . . ?
C2' B7' B8' B9' 62.3(2) . . . . ?
C2' B7' B8' B12' 99.47(19) . . . . ?
C2' B7' B11' B6' -34.96(17) . . . . ?
C2' B7' B11' B10' -97.63(18) . . . . ?
C2' B7' B11' B12' -135.08(19) . . . . ?
C2' B7' B12' B8' -99.07(19) . . . . ?
C2' B7' B12' B9' -61.8(2) . . . . ?
C2' B7' B12' B10' 1.9(2) . . . . ?
C2' B7' B12' B11' 38.97(17) . . . . ?
C2' B11' B12' B7' -38.89(17) . . . . ?
C2' B11' B12' B8' -1.5(2) . . . . ?
C2' B11' B12' B9' 62.1(2) . . . . ?
C2' B11' B12' B10' 99.54(18) . . . . ?
B3' C1' C2' B6' 142.74(17) . . . . ?
B3' C1' C2' B7' 37.79(17) . . . . ?
B3' C1' C2' B11' 104.19(19) . . . . ?
B3' C1' B4' B5' -141.15(17) . . . . ?
B3' C1' B4' B8' -38.05(17) . . . . ?
B3' C1' B4' B9' -101.73(19) . . . . ?
B3' C1' B5' B4' 36.58(17) . . . . ?
B3' C1' B5' B6' -103.88(18) . . . . ?
B3' C1' B5' B9' -2.1(2) . . . . ?
B3' C1' B5' B10' -65.2(2) . . . . ?
B3' C1' B6' C2' -34.87(17) . . . . ?
B3' C1' B6' B5' 104.29(18) . . . . ?
B3' C1' B6' B10' 64.9(2) . . . . ?
B3' C1' B6' B11' 1.5(2) . . . . ?
B3' C2' B6' C1' 34.25(15) . . . . ?
B3' C2' B6' B5' -1.4(2) . . . . ?
B3' C2' B6' B10' -65.0(2) . . . . ?
B3' C2' B6' B11' -104.07(19) . . . . ?
B3' C2' B7' B8' 37.82(17) . . . . ?
B3' C2' B7' B11' 139.92(19) . . . . ?
B3' C2' B7' B12' 100.4(2) . . . . ?
B3' C2' B11' B6' 103.0(2) . . . . ?
B3' C2' B11' B7' -37.56(18) . . . . ?
B3' C2' B11' B10' 64.7(2) . . . . ?
B3' C2' B11' B12' 1.8(2) . . . . ?
B3' B4' B5' C1' -34.49(15) . . . . ?
B3' B4' B5' B6' 0.6(2) . . . . ?
B3' B4' B5' B9' 101.21(19) . . . . ?
B3' B4' B5' B10' 63.5(2) . . . . ?
B3' B4' B8' B7' -37.32(18) . . . . ?
B3' B4' B8' B9' -138.1(2) . . . . ?
B3' B4' B8' B12' -100.7(2) . . . . ?
B3' B4' B9' B5' -100.97(19) . . . . ?
B3' B4' B9' B8' 37.32(17) . . . . ?
B3' B4' B9' B10' -63.6(2) . . . . ?
B3' B4' B9' B12' 0.0(2) . . . . ?
B3' B7' B8' B4' 37.15(17) . . . . ?
B3' B7' B8' B9' 100.13(19) . . . . ?
B3' B7' B8' B12' 137.32(18) . . . . ?
B3' B7' B11' C2' 35.33(17) . . . . ?
B3' B7' B11' B6' 0.4(2) . . . . ?
B3' B7' B11' B10' -62.3(2) . . . . ?
B3' B7' B11' B12' -99.8(2) . . . . ?
B3' B7' B12' B8' -37.35(17) . . . . ?
B3' B7' B12' B9' -0.1(2) . . . . ?
B3' B7' B12' B10' 63.6(2) . . . . ?
B3' B7' B12' B11' 100.70(19) . . . . ?
B3' B8' B9' B4' -37.25(18) . . . . ?
B3' B8' B9' B5' -0.1(2) . . . . ?
B3' B8' B9' B10' 63.1(2) . . . . ?
B3' B8' B9' B12' 100.8(2) . . . . ?
B3' B8' B12' B7' 38.16(17) . . . . ?
B3' B8' B12' B9' -100.31(19) . . . . ?
B3' B8' B12' B10' -62.6(2) . . . . ?
B3' B8' B12' B11' 0.7(2) . . . . ?
B4' C1' C2' B3' -38.13(16) . . . . ?
B4' C1' C2' B6' 104.61(18) . . . . ?
B4' C1' C2' B7' -0.3(2) . . . . ?
B4' C1' C2' B11' 66.1(2) . . . . ?
B4' C1' B3' C2' 138.83(18) . . . . ?
B4' C1' B3' B7' 102.69(19) . . . . ?
B4' C1' B3' B8' 38.76(17) . . . . ?
B4' C1' B5' B6' -140.46(17) . . . . ?
B4' C1' B5' B9' -38.65(16) . . . . ?
B4' C1' B5' B10' -101.75(18) . . . . ?
B4' C1' B6' C2' -101.86(18) . . . . ?
B4' C1' B6' B5' 37.30(16) . . . . ?
B4' C1' B6' B10' -2.1(2) . . . . ?
B4' C1' B6' B11' -65.5(2) . . . . ?
B4' B3' B7' C2' 98.65(19) . . . . ?
B4' B3' B7' B8' -37.74(17) . . . . ?
B4' B3' B7' B11' 63.3(2) . . . . ?
B4' B3' B7' B12' 0.1(2) . . . . ?
B4' B3' B8' B7' 138.44(19) . . . . ?
B4' B3' B8' B9' 37.09(18) . . . . ?
B4' B3' B8' B12' 100.38(19) . . . . ?
B4' B5' B6' C1' -34.91(15) . . . . ?
B4' B5' B6' C2' 0.4(2) . . . . ?
B4' B5' B6' B10' 100.77(18) . . . . ?
B4' B5' B6' B11' 62.6(2) . . . . ?
B4' B5' B9' B8' -37.05(18) . . . . ?
B4' B5' B9' B10' -138.02(19) . . . . ?
B4' B5' B9' B12' -100.3(2) . . . . ?
B4' B5' B10' B6' -100.44(19) . . . . ?
B4' B5' B10' B9' 37.30(17) . . . . ?
B4' B5' B10' B11' -62.8(2) . . . . ?
B4' B5' B10' B12' 0.1(2) . . . . ?
B4' B8' B9' B5' 37.14(17) . . . . ?
B4' B8' B9' B10' 100.33(18) . . . . ?
B4' B8' B9' B12' 138.04(19) . . . . ?
B4' B8' B12' B7' 101.29(19) . . . . ?
B4' B8' B12' B9' -37.17(17) . . . . ?
B4' B8' B12' B10' 0.5(2) . . . . ?
B4' B8' B12' B11' 63.8(2) . . . . ?
B4' B9' B10' B5' -37.37(16) . . . . ?
B4' B9' B10' B6' 0.2(2) . . . . ?
B4' B9' B10' B11' 63.5(2) . . . . ?
B4' B9' B10' B12' 100.53(19) . . . . ?
B4' B9' B12' B7' 0.1(2) . . . . ?
B4' B9' B12' B8' 37.24(17) . . . . ?
B4' B9' B12' B10' -100.70(18) . . . . ?
B4' B9' B12' B11' -63.4(2) . . . . ?
B5' C1' C2' B3' -104.75(18) . . . . ?
B5' C1' C2' B6' 37.98(16) . . . . ?
B5' C1' C2' B7' -67.0(2) . . . . ?
B5' C1' C2' B11' -0.6(2) . . . . ?
B5' C1' B3' C2' 102.10(18) . . . . ?
B5' C1' B3' B4' -36.73(17) . . . . ?
B5' C1' B3' B7' 66.0(2) . . . . ?
B5' C1' B3' B8' 2.0(2) . . . . ?
B5' C1' B4' B3' 141.15(17) . . . . ?
B5' C1' B4' B8' 103.11(18) . . . . ?
B5' C1' B4' B9' 39.42(16) . . . . ?
B5' C1' B6' C2' -139.16(17) . . . . ?
B5' C1' B6' B10' -39.41(16) . . . . ?
B5' C1' B6' B11' -102.79(18) . . . . ?
B5' B4' B8' B3' 100.2(2) . . . . ?
B5' B4' B8' B7' 62.9(2) . . . . ?
B5' B4' B8' B9' -37.88(17) . . . . ?
B5' B4' B8' B12' -0.5(2) . . . . ?
B5' B4' B9' B8' 138.29(19) . . . . ?
B5' B4' B9' B10' 37.37(16) . . . . ?
B5' B4' B9' B12' 100.94(19) . . . . ?
B5' B6' B10' B9' -37.43(16) . . . . ?
B5' B6' B10' B11' -137.89(18) . . . . ?
B5' B6' B10' B12' -100.08(19) . . . . ?
B5' B6' B11' C2' -97.91(19) . . . . ?
B5' B6' B11' B7' -63.0(2) . . . . ?
B5' B6' B11' B10' 38.17(17) . . . . ?
B5' B6' B11' B12' 0.1(2) . . . . ?
B5' B9' B10' B6' 37.52(16) . . . . ?
B5' B9' B10' B11' 100.82(18) . . . . ?
B5' B9' B10' B12' 137.90(18) . . . . ?
B5' B9' B12' B7' 63.3(2) . . . . ?
B5' B9' B12' B8' 100.41(19) . . . . ?
B5' B9' B12' B10' -37.54(16) . . . . ?
B5' B9' B12' B11' -0.2(2) . . . . ?
B5' B10' B11' C2' 0.7(2) . . . . ?
B5' B10' B11' B6' -37.51(16) . . . . ?
B5' B10' B11' B7' 62.7(2) . . . . ?
B5' B10' B11' B12' 99.86(19) . . . . ?
B5' B10' B12' B7' -63.8(2) . . . . ?
B5' B10' B12' B8' -0.4(2) . . . . ?
B5' B10' B12' B9' 37.25(16) . . . . ?
B5' B10' B12' B11' -100.97(18) . . . . ?
B6' C1' C2' B3' -142.74(17) . . . . ?
B6' C1' C2' B7' -104.95(19) . . . . ?
B6' C1' C2' B11' -38.55(17) . . . . ?
B6' C1' B3' C2' 34.86(17) . . . . ?
B6' C1' B3' B4' -103.97(18) . . . . ?
B6' C1' B3' B7' -1.3(2) . . . . ?
B6' C1' B3' B8' -65.2(2) . . . . ?
B6' C1' B4' B3' 103.94(18) . . . . ?
B6' C1' B4' B5' -37.22(16) . . . . ?
B6' C1' B4' B8' 65.9(2) . . . . ?
B6' C1' B4' B9' 2.2(2) . . . . ?
B6' C1' B5' B4' 140.46(17) . . . . ?
B6' C1' B5' B9' 101.81(18) . . . . ?
B6' C1' B5' B10' 38.71(16) . . . . ?
B6' C2' B3' C1' -34.49(16) . . . . ?
B6' C2' B3' B4' 1.8(2) . . . . ?
B6' C2' B3' B7' 104.56(19) . . . . ?
B6' C2' B3' B8' 65.5(2) . . . . ?
B6' C2' B7' B3' -102.8(2) . . . . ?
B6' C2' B7' B8' -64.9(2) . . . . ?
B6' C2' B7' B11' 37.16(18) . . . . ?
B6' C2' B7' B12' -2.3(3) . . . . ?
B6' C2' B11' B7' -140.56(19) . . . . ?
B6' C2' B11' B10' -38.26(17) . . . . ?
B6' C2' B11' B12' -101.25(19) . . . . ?
B6' B5' B9' B4' 100.56(19) . . . . ?
B6' B5' B9' B8' 63.5(2) . . . . ?
B6' B5' B9' B10' -37.46(16) . . . . ?
B6' B5' B9' B12' 0.3(2) . . . . ?
B6' B5' B10' B9' 137.75(18) . . . . ?
B6' B5' B10' B11' 37.63(17) . . . . ?
B6' B5' B10' B12' 100.56(19) . . . . ?
B6' B10' B11' C2' 38.24(17) . . . . ?
B6' B10' B11' B7' 100.17(19) . . . . ?
B6' B10' B11' B12' 137.37(19) . . . . ?
B6' B10' B12' B7' -0.8(2) . . . . ?
B6' B10' B12' B8' 62.6(2) . . . . ?
B6' B10' B12' B9' 100.24(19) . . . . ?
B6' B10' B12' B11' -37.98(17) . . . . ?
B6' B11' B12' B7' -100.85(19) . . . . ?
B6' B11' B12' B8' -63.4(2) . . . . ?
B6' B11' B12' B9' 0.1(2) . . . . ?
B6' B11' B12' B10' 37.58(17) . . . . ?
B7' C2' B3' C1' -139.05(18) . . . . ?
B7' C2' B3' B4' -102.76(19) . . . . ?
B7' C2' B3' B8' -39.08(17) . . . . ?
B7' C2' B6' C1' 101.1(2) . . . . ?
B7' C2' B6' B5' 65.4(2) . . . . ?
B7' C2' B6' B10' 1.9(2) . . . . ?
B7' C2' B6' B11' -37.26(18) . . . . ?
B7' C2' B11' B6' 140.56(19) . . . . ?
B7' C2' B11' B10' 102.3(2) . . . . ?
B7' C2' B11' B12' 39.31(17) . . . . ?
B7' B3' B4' C1' -98.79(19) . . . . ?
B7' B3' B4' B5' -64.2(2) . . . . ?
B7' B3' B4' B8' 37.83(18) . . . . ?
B7' B3' B4' B9' -0.1(2) . . . . ?
B7' B3' B8' B4' -138.44(19) . . . . ?
B7' B3' B8' B9' -101.3(2) . . . . ?
B7' B3' B8' B12' -38.06(17) . . . . ?
B7' B8' B9' B4' -100.85(18) . . . . ?
B7' B8' B9' B5' -63.7(2) . . . . ?
B7' B8' B9' B10' -0.5(2) . . . . ?
B7' B8' B9' B12' 37.19(16) . . . . ?
B7' B8' B12' B9' -138.46(18) . . . . ?
B7' B8' B12' B10' -100.74(19) . . . . ?
B7' B8' B12' B11' -37.47(16) . . . . ?
B7' B11' B12' B8' 37.43(16) . . . . ?
B7' B11' B12' B9' 100.96(19) . . . . ?
B7' B11' B12' B10' 138.43(18) . . . . ?
B8' B3' B4' C1' -136.63(18) . . . . ?
B8' B3' B4' B5' -102.08(19) . . . . ?
B8' B3' B4' B9' -37.89(18) . . . . ?
B8' B3' B7' C2' 136.39(19) . . . . ?
B8' B3' B7' B11' 101.0(2) . . . . ?
B8' B3' B7' B12' 37.85(17) . . . . ?
B8' B4' B5' C1' -97.72(19) . . . . ?
B8' B4' B5' B6' -62.6(2) . . . . ?
B8' B4' B5' B9' 37.98(17) . . . . ?
B8' B4' B5' B10' 0.2(2) . . . . ?
B8' B4' B9' B5' -138.29(19) . . . . ?
B8' B4' B9' B10' -100.92(19) . . . . ?
B8' B4' B9' B12' -37.35(17) . . . . ?
B8' B7' B11' C2' 97.54(19) . . . . ?
B8' B7' B11' B6' 62.6(2) . . . . ?
B8' B7' B11' B10' -0.1(2) . . . . ?
B8' B7' B11' B12' -37.55(16) . . . . ?
B8' B7' B12' B9' 37.22(17) . . . . ?
B8' B7' B12' B10' 100.94(19) . . . . ?
B8' B7' B12' B11' 138.05(17) . . . . ?
B8' B9' B10' B5' -100.37(18) . . . . ?
B8' B9' B10' B6' -62.8(2) . . . . ?
B8' B9' B10' B11' 0.5(2) . . . . ?
B8' B9' B10' B12' 37.54(16) . . . . ?
B8' B9' B12' B7' -37.15(17) . . . . ?
B8' B9' B12' B10' -137.95(17) . . . . ?
B8' B9' B12' B11' -100.64(19) . . . . ?
B9' B4' B5' C1' -135.70(18) . . . . ?
B9' B4' B5' B6' -100.56(18) . . . . ?
B9' B4' B5' B10' -37.75(17) . . . . ?
B9' B4' B8' B3' 138.1(2) . . . . ?
B9' B4' B8' B7' 100.8(2) . . . . ?
B9' B4' B8' B12' 37.40(17) . . . . ?
B9' B5' B6' C1' -97.75(17) . . . . ?
B9' B5' B6' C2' -62.4(2) . . . . ?
B9' B5' B6' B10' 37.93(16) . . . . ?
B9' B5' B6' B11' -0.2(2) . . . . ?
B9' B5' B10' B6' -137.75(18) . . . . ?
B9' B5' B10' B11' -100.12(19) . . . . ?
B9' B5' B10' B12' -37.19(17) . . . . ?
B9' B8' B12' B7' 138.46(18) . . . . ?
B9' B8' B12' B10' 37.72(17) . . . . ?
B9' B8' B12' B11' 100.99(19) . . . . ?
B9' B10' B11' C2' -62.1(2) . . . . ?
B9' B10' B11' B6' -100.39(18) . . . . ?
B9' B10' B11' B7' -0.2(2) . . . . ?
B9' B10' B11' B12' 36.98(16) . . . . ?
B9' B10' B12' B7' -101.0(2) . . . . ?
B9' B10' B12' B8' -37.66(17) . . . . ?
B9' B10' B12' B11' -138.22(18) . . . . ?
B10' B5' B6' C1' -135.68(17) . . . . ?
B10' B5' B6' C2' -100.34(18) . . . . ?
B10' B5' B6' B11' -38.14(17) . . . . ?
B10' B5' B9' B4' 138.02(19) . . . . ?
B10' B5' B9' B8' 101.0(2) . . . . ?
B10' B5' B9' B12' 37.73(17) . . . . ?
B10' B6' B11' C2' -136.08(19) . . . . ?
B10' B6' B11' B7' -101.2(2) . . . . ?
B10' B6' B11' B12' -38.10(17) . . . . ?
B10' B9' B12' B7' 100.80(19) . . . . ?
B10' B9' B12' B8' 137.95(17) . . . . ?
B10' B9' B12' B11' 37.31(17) . . . . ?
B10' B11' B12' B7' -138.43(18) . . . . ?
B10' B11' B12' B8' -101.00(19) . . . . ?
B10' B11' B12' B9' -37.47(17) . . . . ?
B11' C2' B3' C1' -101.33(19) . . . . ?
B11' C2' B3' B4' -65.0(2) . . . . ?
B11' C2' B3' B7' 37.72(18) . . . . ?
B11' C2' B3' B8' -1.4(2) . . . . ?
B11' C2' B6' C1' 138.32(18) . . . . ?
B11' C2' B6' B5' 102.67(18) . . . . ?
B11' C2' B6' B10' 39.12(17) . . . . ?
B11' C2' B7' B3' -139.92(19) . . . . ?
B11' C2' B7' B8' -102.1(2) . . . . ?
B11' C2' B7' B12' -39.49(18) . . . . ?
B11' B6' B10' B5' 137.89(18) . . . . ?
B11' B6' B10' B9' 100.46(19) . . . . ?
B11' B6' B10' B12' 37.81(17) . . . . ?
B11' B7' B8' B3' -99.75(19) . . . . ?
B11' B7' B8' B4' -62.6(2) . . . . ?
B11' B7' B8' B9' 0.4(2) . . . . ?
B11' B7' B8' B12' 37.57(16) . . . . ?
B11' B7' B12' B8' -138.05(17) . . . . ?
B11' B7' B12' B9' -100.82(19) . . . . ?
B11' B7' B12' B10' -37.11(17) . . . . ?
B11' B10' B12' B7' 37.18(17) . . . . ?
B11' B10' B12' B8' 100.56(19) . . . . ?
B11' B10' B12' B9' 138.22(18) . . . . ?
B12' B7' B8' B3' -137.32(18) . . . . ?
B12' B7' B8' B4' -100.17(19) . . . . ?
B12' B7' B8' B9' -37.19(16) . . . . ?
B12' B7' B11' C2' 135.08(19) . . . . ?
B12' B7' B11' B6' 100.1(2) . . . . ?
B12' B7' B11' B10' 37.45(16) . . . . ?
B12' B8' B9' B4' -138.04(19) . . . . ?
B12' B8' B9' B5' -100.90(19) . . . . ?
B12' B8' B9' B10' -37.71(16) . . . . ?
B12' B9' B10' B5' -137.90(18) . . . . ?
B12' B9' B10' B6' -100.38(19) . . . . ?
B12' B9' B10' B11' -37.08(16) . . . . ?
B12' B10' B11' C2' -99.13(19) . . . . ?
B12' B10' B11' B6' -137.37(19) . . . . ?
B12' B10' B11' B7' -37.20(16) . . . . ?

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

data_5420
_database_code_depnum_ccdc_archive 'CCDC 1492398'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2016-02-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H39 B19 Ni O6 P2'
_chemical_formula_sum            'C10 H39 B19 Ni O6 P2'
_chemical_formula_weight         581.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.0321(11)
_cell_length_b                   11.6703(12)
_cell_length_c                   11.8503(11)
_cell_angle_alpha                109.302(4)
_cell_angle_beta                 95.518(5)
_cell_angle_gamma                93.573(6)
_cell_volume                     1426.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1738
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      25.395
_cell_measurement_theta_min      2.449
_shelx_estimated_absorpt_T_max   0.937
_shelx_estimated_absorpt_T_min   0.757
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_T_max  0.745314
_exptl_absorpt_correction_T_min  0.556700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/4 (Bruker,2010) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0645 before and 0.0516 after correction.
 The Ratio of minimum to maximum transmission not present.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1127 before and 0.0678 after correction.
 The Ratio of minimum to maximum transmission is 0.75.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 28465 reflections, Rint = 0.0850
 (11666 with I > 3sig(I), Rint = 0.0727)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5415
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.045
_diffrn_reflns_theta_min         2.761
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4117
_reflns_number_total             5415
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         5415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.020
_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)+(0.0538P)²+0.3624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1106
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.835(5) 0.165(5)
2. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5721(2) 0.2233(2) 0.7624(2) 0.0155(6) Uani 1 1 d . . . . .
P1 P 0.82325(7) 0.47232(6) 0.75489(6) 0.0161(2) Uani 1 1 d . . . . .
P2 P 0.75246(7) 0.25812(7) 0.50954(7) 0.0185(2) Uani 1 1 d . . . . .
C2 C 0.5761(3) 0.3678(3) 0.8202(2) 0.0172(6) Uani 1 1 d . . . . .
H2 H 0.629(3) 0.405(3) 0.896(3) 0.021 Uiso 1 1 d R . . . .
Ni3 Ni 0.66844(3) 0.33782(3) 0.66825(3) 0.01599(16) Uani 1 1 d . . . . .
B4 B 0.5323(3) 0.1895(3) 0.6104(3) 0.0170(7) Uani 1 1 d . . . . .
H4 H 0.566(3) 0.108(3) 0.552(3) 0.020 Uiso 1 1 d R . . . .
B5 B 0.4265(3) 0.1579(3) 0.7077(3) 0.0190(7) Uani 1 1 d . . . . .
H5 H 0.404(3) 0.066(3) 0.698(3) 0.023 Uiso 1 1 d R . . . .
B6 B 0.4566(3) 0.2750(3) 0.8479(3) 0.0193(7) Uani 1 1 d . . . . .
H6 H 0.462(3) 0.266(3) 0.936(3) 0.023 Uiso 1 1 d R . . . .
B7 B 0.5252(3) 0.4453(3) 0.7243(3) 0.0191(7) Uani 1 1 d . . . . .
H7 H 0.551(3) 0.545(3) 0.750(3) 0.023 Uiso 1 1 d R . . . .
B8 B 0.4901(3) 0.3297(3) 0.5827(3) 0.0185(7) Uani 1 1 d . . . . .
H8 H 0.478(3) 0.343(3) 0.490(3) 0.022 Uiso 1 1 d R . . . .
B9 B 0.3758(3) 0.2240(3) 0.5971(3) 0.0198(7) Uani 1 1 d . . . . .
H9 H 0.306(3) 0.164(3) 0.519(3) 0.024 Uiso 1 1 d R . . . .
B10 B 0.3323(3) 0.2777(3) 0.7461(3) 0.0209(7) Uani 1 1 d . . . . .
H10 H 0.234(3) 0.253(3) 0.759(3) 0.025 Uiso 1 1 d R . . . .
O11 O 0.82692(19) 0.53789(17) 0.89661(17) 0.0223(5) Uani 1 1 d . . . . .
B11 B 0.4303(3) 0.4149(3) 0.8256(3) 0.0187(7) Uani 1 1 d . . . . .
H11 H 0.414(3) 0.496(3) 0.905(3) 0.022 Uiso 1 1 d R . . . .
C11 C 0.7936(4) 0.6575(3) 0.9525(3) 0.0364(9) Uani 1 1 d . . . . .
H11A H 0.8400 0.7153 0.9248 0.055 Uiso 1 1 calc GR . . . .
H11B H 0.8119 0.6807 1.0402 0.055 Uiso 1 1 calc GR . . . .
H11C H 0.7058 0.6591 0.9312 0.055 Uiso 1 1 calc GR . . . .
B12 B 0.3709(3) 0.3822(3) 0.6736(3) 0.0193(7) Uani 1 1 d . . . . .
H12 H 0.294(3) 0.435(3) 0.644(3) 0.023 Uiso 1 1 d R . . . .
O12 O 0.95236(17) 0.41942(18) 0.74788(18) 0.0215(5) Uani 1 1 d . . . . .
C12 C 1.0632(3) 0.4902(3) 0.8189(3) 0.0273(7) Uani 1 1 d . . . . .
H12A H 1.1346 0.4516 0.7865 0.041 Uiso 1 1 calc GR . . . .
H12B H 1.0637 0.4937 0.9028 0.041 Uiso 1 1 calc GR . . . .
H12C H 1.0661 0.5731 0.8156 0.041 Uiso 1 1 calc GR . . . .
C13 C 0.7510(3) 0.6079(3) 0.6213(3) 0.0291(8) Uani 1 1 d . . . . .
H13A H 0.7937 0.6213 0.5573 0.044 Uiso 1 1 calc GR . . . .
H13B H 0.7112 0.6808 0.6613 0.044 Uiso 1 1 calc GR . . . .
H13C H 0.6891 0.5378 0.5864 0.044 Uiso 1 1 calc GR . . . .
O13 O 0.83805(18) 0.58433(18) 0.70827(17) 0.0201(5) Uani 1 1 d . . . . .
C21 C 0.8629(3) 0.0517(3) 0.4139(3) 0.0288(7) Uani 1 1 d . . . . .
H21A H 0.8180 0.0529 0.3389 0.043 Uiso 1 1 calc GR . . . .
H21B H 0.8445 -0.0278 0.4228 0.043 Uiso 1 1 calc GR . . . .
H21C H 0.9509 0.0660 0.4117 0.043 Uiso 1 1 calc GR . . . .
O21 O 0.82577(19) 0.14768(19) 0.51610(18) 0.0242(5) Uani 1 1 d . . . . .
O22 O 0.84448(19) 0.35865(19) 0.49087(18) 0.0258(5) Uani 1 1 d . . . . .
C22 C 0.9311(4) 0.3294(4) 0.4036(3) 0.0479(11) Uani 1 1 d . . . . .
H22A H 0.8900 0.2720 0.3270 0.072 Uiso 1 1 calc GR . . . .
H22B H 0.9988 0.2923 0.4333 0.072 Uiso 1 1 calc GR . . . .
H22C H 0.9630 0.4042 0.3915 0.072 Uiso 1 1 calc GR . . . .
C23 C 0.6249(3) 0.2662(3) 0.3093(3) 0.0300(8) Uani 1 1 d . . . . .
H23A H 0.6676 0.2506 0.2376 0.045 Uiso 1 1 calc GR . . . .
H23B H 0.6374 0.3535 0.3566 0.045 Uiso 1 1 calc GR . . . .
H23C H 0.5372 0.2414 0.2845 0.045 Uiso 1 1 calc GR . . . .
O23 O 0.67324(18) 0.19698(17) 0.38191(17) 0.0214(5) Uani 1 1 d . . . . .
C1' C 0.6563(2) 0.1524(2) 0.8202(2) 0.0164(6) Uani 1 1 d . . . . .
C2' C 0.7715(3) 0.0937(3) 0.7503(3) 0.0184(6) Uani 1 1 d . . . . .
H2' H 0.778(3) 0.107(3) 0.675(3) 0.022 Uiso 1 1 d R . . . .
B3' B 0.8048(3) 0.2150(3) 0.8801(3) 0.0191(7) Uani 1 1 d . . . . .
H3' H 0.829(3) 0.299(3) 0.878(3) 0.023 Uiso 1 1 d R . . . .
B4' B 0.6967(3) 0.1922(3) 0.9735(3) 0.0200(7) Uani 1 1 d . . . . .
H4' H 0.662(3) 0.272(3) 1.036(3) 0.024 Uiso 1 1 d R . . . .
B5' B 0.5994(3) 0.0565(3) 0.8909(3) 0.0219(7) Uani 1 1 d . . . . .
H5' H 0.506(3) 0.055(3) 0.898(3) 0.026 Uiso 1 1 d R . . . .
B6' B 0.6460(3) -0.0042(3) 0.7448(3) 0.0208(7) Uani 1 1 d . . . . .
H6' H 0.585(3) -0.039(3) 0.661(3) 0.025 Uiso 1 1 d R . . . .
B7' B 0.8962(3) 0.0912(3) 0.8462(3) 0.0215(7) Uani 1 1 d . . . . .
H7' H 0.988(3) 0.108(3) 0.820(3) 0.026 Uiso 1 1 d R . . . .
B8' B 0.8481(3) 0.1517(3) 0.9914(3) 0.0220(7) Uani 1 1 d . . . . .
H8' H 0.914(3) 0.207(3) 1.073(3) 0.026 Uiso 1 1 d R . . . .
B9' B 0.7214(3) 0.0525(3) 0.9978(3) 0.0230(8) Uani 1 1 d . . . . .
H9' H 0.705(3) 0.042(3) 1.081(3) 0.028 Uiso 1 1 d R . . . .
B10' B 0.6896(3) -0.0677(3) 0.8567(3) 0.0247(8) Uani 1 1 d . . . . .
H10' H 0.648(3) -0.162(3) 0.844(3) 0.030 Uiso 1 1 d R . . . .
B11' B 0.7983(3) -0.0432(3) 0.7631(3) 0.0231(8) Uani 1 1 d . . . . .
H11' H 0.830(3) -0.113(3) 0.686(3) 0.028 Uiso 1 1 d R . . . .
B12' B 0.8440(3) -0.0101(3) 0.9191(3) 0.0238(8) Uani 1 1 d . . . . .
H12' H 0.909(3) -0.066(3) 0.948(3) 0.029 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.592(4) . ?
C1 Ni3 2.279(3) . ?
C1 B4 1.718(4) . ?
C1 B5 1.704(4) . ?
C1 B6 1.719(4) . ?
C1 C1' 1.538(4) . ?
P1 Ni3 2.1675(8) . ?
P1 O11 1.594(2) . ?
P1 O12 1.586(2) . ?
P1 O13 1.584(2) . ?
P2 Ni3 2.1326(8) . ?
P2 O21 1.583(2) . ?
P2 O22 1.588(2) . ?
P2 O23 1.586(2) . ?
C2 H2 0.97(3) . ?
C2 Ni3 2.094(3) . ?
C2 B6 1.777(4) . ?
C2 B7 1.745(4) . ?
C2 B11 1.731(4) . ?
Ni3 B4 2.101(3) . ?
Ni3 B7 2.100(3) . ?
Ni3 B8 2.107(3) . ?
B4 H4 1.09(3) . ?
B4 B5 1.821(5) . ?
B4 B8 1.850(5) . ?
B4 B9 1.801(5) . ?
B5 H5 1.05(3) . ?
B5 B6 1.754(5) . ?
B5 B9 1.790(5) . ?
B5 B10 1.759(5) . ?
B6 H6 1.07(3) . ?
B6 B10 1.747(5) . ?
B6 B11 1.774(5) . ?
B7 H7 1.11(3) . ?
B7 B8 1.761(5) . ?
B7 B11 1.773(5) . ?
B7 B12 1.777(5) . ?
B8 H8 1.16(3) . ?
B8 B9 1.769(5) . ?
B8 B12 1.790(5) . ?
B9 H9 1.14(3) . ?
B9 B10 1.792(5) . ?
B9 B12 1.775(5) . ?
B10 H10 1.14(3) . ?
B10 B11 1.792(5) . ?
B10 B12 1.761(5) . ?
O11 C11 1.423(3) . ?
B11 H11 1.13(3) . ?
B11 B12 1.763(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
B12 H12 1.17(3) . ?
O12 C12 1.450(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 O13 1.446(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 O21 1.464(3) . ?
O22 C22 1.447(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 O23 1.450(3) . ?
C1' C2' 1.646(4) . ?
C1' B3' 1.734(4) . ?
C1' B4' 1.725(4) . ?
C1' B5' 1.727(4) . ?
C1' B6' 1.739(4) . ?
C2' H2' 0.96(3) . ?
C2' B3' 1.700(4) . ?
C2' B6' 1.722(4) . ?
C2' B7' 1.706(4) . ?
C2' B11' 1.695(4) . ?
B3' H3' 1.01(3) . ?
B3' B4' 1.768(5) . ?
B3' B7' 1.773(5) . ?
B3' B8' 1.755(5) . ?
B4' H4' 1.09(3) . ?
B4' B5' 1.784(5) . ?
B4' B8' 1.776(5) . ?
B4' B9' 1.779(5) . ?
B5' H5' 1.05(3) . ?
B5' B6' 1.780(5) . ?
B5' B9' 1.771(5) . ?
B5' B10' 1.768(5) . ?
B6' H6' 1.08(3) . ?
B6' B10' 1.765(5) . ?
B6' B11' 1.780(5) . ?
B7' H7' 1.11(3) . ?
B7' B8' 1.778(5) . ?
B7' B11' 1.777(5) . ?
B7' B12' 1.777(5) . ?
B8' H8' 1.13(3) . ?
B8' B9' 1.781(5) . ?
B8' B12' 1.793(5) . ?
B9' H9' 1.06(3) . ?
B9' B10' 1.778(5) . ?
B9' B12' 1.774(5) . ?
B10' H10' 1.13(3) . ?
B10' B11' 1.782(5) . ?
B10' B12' 1.785(5) . ?
B11' H11' 1.11(3) . ?
B11' B12' 1.773(5) . ?
B12' H12' 1.10(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 Ni3 62.54(13) . . ?
C2 C1 B4 105.7(2) . . ?
C2 C1 B5 111.3(2) . . ?
C2 C1 B6 64.79(18) . . ?
B4 C1 Ni3 61.53(14) . . ?
B4 C1 B6 114.1(2) . . ?
B5 C1 Ni3 119.62(18) . . ?
B5 C1 B4 64.29(18) . . ?
B5 C1 B6 61.64(18) . . ?
B6 C1 Ni3 122.03(18) . . ?
C1' C1 C2 120.5(2) . . ?
C1' C1 Ni3 115.05(18) . . ?
C1' C1 B4 125.3(2) . . ?
C1' C1 B5 116.8(2) . . ?
C1' C1 B6 111.2(2) . . ?
O11 P1 Ni3 115.70(8) . . ?
O12 P1 Ni3 114.59(8) . . ?
O12 P1 O11 101.10(11) . . ?
O13 P1 Ni3 116.39(8) . . ?
O13 P1 O11 102.40(11) . . ?
O13 P1 O12 104.72(11) . . ?
O21 P2 Ni3 112.39(8) . . ?
O21 P2 O22 108.58(12) . . ?
O21 P2 O23 100.11(11) . . ?
O22 P2 Ni3 109.34(8) . . ?
O23 P2 Ni3 121.29(8) . . ?
O23 P2 O22 104.19(11) . . ?
C1 C2 H2 115.7(17) . . ?
C1 C2 Ni3 75.03(14) . . ?
C1 C2 B6 61.07(18) . . ?
C1 C2 B7 116.7(2) . . ?
C1 C2 B11 111.6(2) . . ?
Ni3 C2 H2 113.4(17) . . ?
B6 C2 H2 107.0(17) . . ?
B6 C2 Ni3 129.84(19) . . ?
B7 C2 H2 124.5(17) . . ?
B7 C2 Ni3 65.59(14) . . ?
B7 C2 B6 113.0(2) . . ?
B11 C2 H2 112.9(17) . . ?
B11 C2 Ni3 122.87(18) . . ?
B11 C2 B6 60.74(18) . . ?
B11 C2 B7 61.31(18) . . ?
P1 Ni3 C1 123.45(7) . . ?
P2 Ni3 C1 122.40(7) . . ?
P2 Ni3 P1 93.60(3) . . ?
C2 Ni3 C1 42.43(10) . . ?
C2 Ni3 P1 96.69(8) . . ?
C2 Ni3 P2 164.83(8) . . ?
C2 Ni3 B4 78.00(12) . . ?
C2 Ni3 B7 49.18(12) . . ?
C2 Ni3 B8 82.21(12) . . ?
B4 Ni3 C1 45.96(11) . . ?
B4 Ni3 P1 167.75(9) . . ?
B4 Ni3 P2 89.70(9) . . ?
B4 Ni3 B8 52.18(13) . . ?
B7 Ni3 C1 80.83(11) . . ?
B7 Ni3 P1 99.48(10) . . ?
B7 Ni3 P2 139.50(9) . . ?
B7 Ni3 B4 85.48(13) . . ?
B7 Ni3 B8 49.49(13) . . ?
B8 Ni3 C1 82.71(11) . . ?
B8 Ni3 P1 138.66(9) . . ?
B8 Ni3 P2 97.33(9) . . ?
C1 B4 Ni3 72.51(14) . . ?
C1 B4 H4 116.1(15) . . ?
C1 B4 B5 57.47(17) . . ?
C1 B4 B8 108.7(2) . . ?
C1 B4 B9 104.3(2) . . ?
Ni3 B4 H4 111.3(15) . . ?
B5 B4 Ni3 123.38(19) . . ?
B5 B4 H4 113.3(15) . . ?
B5 B4 B8 106.9(2) . . ?
B8 B4 Ni3 64.08(14) . . ?
B8 B4 H4 130.9(15) . . ?
B9 B4 Ni3 117.0(2) . . ?
B9 B4 H4 124.0(15) . . ?
B9 B4 B5 59.25(18) . . ?
B9 B4 B8 57.93(18) . . ?
C1 B5 B4 58.24(17) . . ?
C1 B5 H5 119.6(16) . . ?
C1 B5 B6 59.62(18) . . ?
C1 B5 B9 105.4(2) . . ?
C1 B5 B10 105.8(2) . . ?
B4 B5 H5 117.5(16) . . ?
B6 B5 B4 107.6(2) . . ?
B6 B5 H5 123.1(16) . . ?
B6 B5 B9 108.2(2) . . ?
B6 B5 B10 59.64(19) . . ?
B9 B5 B4 59.84(18) . . ?
B9 B5 H5 123.4(16) . . ?
B10 B5 B4 108.0(2) . . ?
B10 B5 H5 127.4(16) . . ?
B10 B5 B9 60.62(19) . . ?
C1 B6 C2 54.14(16) . . ?
C1 B6 B5 58.75(18) . . ?
C1 B6 H6 117.6(16) . . ?
C1 B6 B10 105.7(2) . . ?
C1 B6 B11 103.8(2) . . ?
C2 B6 H6 117.5(16) . . ?
B5 B6 C2 100.9(2) . . ?
B5 B6 H6 127.7(16) . . ?
B5 B6 B11 108.0(2) . . ?
B10 B6 C2 103.8(2) . . ?
B10 B6 B5 60.34(19) . . ?
B10 B6 H6 132.0(16) . . ?
B10 B6 B11 61.18(19) . . ?
B11 B6 C2 58.36(17) . . ?
B11 B6 H6 121.8(16) . . ?
C2 B7 Ni3 65.23(14) . . ?
C2 B7 H7 120.2(16) . . ?
C2 B7 B8 103.9(2) . . ?
C2 B7 B11 58.97(17) . . ?
C2 B7 B12 103.5(2) . . ?
Ni3 B7 H7 114.2(15) . . ?
B8 B7 Ni3 65.47(15) . . ?
B8 B7 H7 131.4(15) . . ?
B8 B7 B11 108.9(2) . . ?
B8 B7 B12 60.78(19) . . ?
B11 B7 Ni3 120.4(2) . . ?
B11 B7 H7 110.7(15) . . ?
B11 B7 B12 59.54(18) . . ?
B12 B7 Ni3 119.8(2) . . ?
B12 B7 H7 120.8(15) . . ?
Ni3 B8 H8 119.0(14) . . ?
B4 B8 Ni3 63.74(14) . . ?
B4 B8 H8 125.9(15) . . ?
B7 B8 Ni3 65.04(15) . . ?
B7 B8 B4 104.2(2) . . ?
B7 B8 H8 126.5(15) . . ?
B7 B8 B9 107.3(2) . . ?
B7 B8 B12 60.07(19) . . ?
B9 B8 Ni3 118.3(2) . . ?
B9 B8 B4 59.64(18) . . ?
B9 B8 H8 112.9(15) . . ?
B9 B8 B12 59.83(19) . . ?
B12 B8 Ni3 118.8(2) . . ?
B12 B8 B4 105.8(2) . . ?
B12 B8 H8 114.3(14) . . ?
B4 B9 H9 120.9(15) . . ?
B5 B9 B4 60.92(18) . . ?
B5 B9 H9 116.3(15) . . ?
B5 B9 B10 58.83(18) . . ?
B8 B9 B4 62.44(19) . . ?
B8 B9 B5 111.9(2) . . ?
B8 B9 H9 123.6(15) . . ?
B8 B9 B10 109.4(2) . . ?
B8 B9 B12 60.67(19) . . ?
B10 B9 B4 107.4(2) . . ?
B10 B9 H9 119.6(15) . . ?
B12 B9 B4 108.6(2) . . ?
B12 B9 B5 107.2(2) . . ?
B12 B9 H9 125.1(15) . . ?
B12 B9 B10 59.16(18) . . ?
B5 B10 B9 60.55(18) . . ?
B5 B10 H10 116.8(15) . . ?
B5 B10 B11 107.0(2) . . ?
B5 B10 B12 109.3(2) . . ?
B6 B10 B5 60.02(19) . . ?
B6 B10 B9 108.4(2) . . ?
B6 B10 H10 121.8(15) . . ?
B6 B10 B11 60.17(19) . . ?
B6 B10 B12 109.5(2) . . ?
B9 B10 H10 118.3(16) . . ?
B9 B10 B11 106.0(2) . . ?
B11 B10 H10 128.4(15) . . ?
B12 B10 B9 59.94(19) . . ?
B12 B10 H10 122.9(15) . . ?
B12 B10 B11 59.49(19) . . ?
C11 O11 P1 124.82(19) . . ?
C2 B11 B6 60.90(18) . . ?
C2 B11 B7 59.72(17) . . ?
C2 B11 B10 103.8(2) . . ?
C2 B11 H11 118.4(15) . . ?
C2 B11 B12 104.7(2) . . ?
B6 B11 B10 58.65(19) . . ?
B6 B11 H11 119.2(15) . . ?
B7 B11 B6 111.8(2) . . ?
B7 B11 B10 108.3(2) . . ?
B7 B11 H11 116.5(15) . . ?
B10 B11 H11 129.3(15) . . ?
B12 B11 B6 108.1(2) . . ?
B12 B11 B7 60.36(19) . . ?
B12 B11 B10 59.37(19) . . ?
B12 B11 H11 126.8(15) . . ?
O11 C11 H11A 109.5 . . ?
O11 C11 H11B 109.5 . . ?
O11 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
B7 B12 B8 59.16(18) . . ?
B7 B12 H12 123.8(15) . . ?
B8 B12 H12 121.4(15) . . ?
B9 B12 B7 106.3(2) . . ?
B9 B12 B8 59.50(18) . . ?
B9 B12 H12 120.9(15) . . ?
B10 B12 B7 109.5(2) . . ?
B10 B12 B8 109.8(2) . . ?
B10 B12 B9 60.89(19) . . ?
B10 B12 B11 61.14(19) . . ?
B10 B12 H12 118.9(15) . . ?
B11 B12 B7 60.10(19) . . ?
B11 B12 B8 108.1(2) . . ?
B11 B12 B9 108.0(2) . . ?
B11 B12 H12 122.5(15) . . ?
C12 O12 P1 122.17(18) . . ?
O12 C12 H12A 109.5 . . ?
O12 C12 H12B 109.5 . . ?
O12 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O13 C13 H13A 109.5 . . ?
O13 C13 H13B 109.5 . . ?
O13 C13 H13C 109.5 . . ?
C13 O13 P1 124.86(18) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O21 C21 H21A 109.5 . . ?
O21 C21 H21B 109.5 . . ?
O21 C21 H21C 109.5 . . ?
C21 O21 P2 126.3(2) . . ?
C22 O22 P2 122.9(2) . . ?
O22 C22 H22A 109.5 . . ?
O22 C22 H22B 109.5 . . ?
O22 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O23 C23 H23A 109.5 . . ?
O23 C23 H23B 109.5 . . ?
O23 C23 H23C 109.5 . . ?
C23 O23 P2 123.29(19) . . ?
C1 C1' C2' 118.4(2) . . ?
C1 C1' B3' 119.2(2) . . ?
C1 C1' B4' 123.6(2) . . ?
C1 C1' B5' 121.8(2) . . ?
C1 C1' B6' 115.5(2) . . ?
C2' C1' B3' 60.34(17) . . ?
C2' C1' B4' 108.9(2) . . ?
C2' C1' B5' 109.2(2) . . ?
C2' C1' B6' 61.07(18) . . ?
B3' C1' B6' 112.8(2) . . ?
B4' C1' B3' 61.49(18) . . ?
B4' C1' B5' 62.23(19) . . ?
B4' C1' B6' 113.1(2) . . ?
B5' C1' B3' 112.3(2) . . ?
B5' C1' B6' 61.81(19) . . ?
C1' C2' H2' 115.1(18) . . ?
C1' C2' B3' 62.39(18) . . ?
C1' C2' B6' 62.15(18) . . ?
C1' C2' B7' 113.3(2) . . ?
C1' C2' B11' 112.9(2) . . ?
B3' C2' H2' 118.3(18) . . ?
B3' C2' B6' 115.5(2) . . ?
B3' C2' B7' 62.73(19) . . ?
B6' C2' H2' 113.2(18) . . ?
B7' C2' H2' 122.8(18) . . ?
B7' C2' B6' 115.4(2) . . ?
B11' C2' H2' 119.8(18) . . ?
B11' C2' B3' 115.0(2) . . ?
B11' C2' B6' 62.79(19) . . ?
B11' C2' B7' 62.99(19) . . ?
C1' B3' H3' 116.6(17) . . ?
C1' B3' B4' 59.01(17) . . ?
C1' B3' B7' 105.9(2) . . ?
C1' B3' B8' 106.2(2) . . ?
C2' B3' C1' 57.27(17) . . ?
C2' B3' H3' 120.7(17) . . ?
C2' B3' B4' 104.6(2) . . ?
C2' B3' B7' 58.82(18) . . ?
C2' B3' B8' 105.1(2) . . ?
B4' B3' H3' 121.0(17) . . ?
B4' B3' B7' 108.9(2) . . ?
B7' B3' H3' 125.8(17) . . ?
B8' B3' H3' 129.0(17) . . ?
B8' B3' B4' 60.53(19) . . ?
B8' B3' B7' 60.52(19) . . ?
C1' B4' B3' 59.50(18) . . ?
C1' B4' H4' 120.4(16) . . ?
C1' B4' B5' 58.96(18) . . ?
C1' B4' B8' 105.7(2) . . ?
C1' B4' B9' 105.1(2) . . ?
B3' B4' H4' 119.2(16) . . ?
B3' B4' B5' 108.1(2) . . ?
B3' B4' B8' 59.39(19) . . ?
B3' B4' B9' 107.3(2) . . ?
B5' B4' H4' 121.8(16) . . ?
B8' B4' H4' 124.0(16) . . ?
B8' B4' B5' 108.1(2) . . ?
B8' B4' B9' 60.15(19) . . ?
B9' B4' H4' 126.3(16) . . ?
B9' B4' B5' 59.63(19) . . ?
C1' B5' B4' 58.81(17) . . ?
C1' B5' H5' 115.7(17) . . ?
C1' B5' B6' 59.43(18) . . ?
C1' B5' B9' 105.3(2) . . ?
C1' B5' B10' 105.5(2) . . ?
B4' B5' H5' 119.0(17) . . ?
B6' B5' B4' 108.4(2) . . ?
B6' B5' H5' 117.9(17) . . ?
B9' B5' B4' 60.06(19) . . ?
B9' B5' H5' 129.2(17) . . ?
B9' B5' B6' 108.0(2) . . ?
B10' B5' B4' 108.4(2) . . ?
B10' B5' H5' 128.3(17) . . ?
B10' B5' B6' 59.7(2) . . ?
B10' B5' B9' 60.3(2) . . ?
C1' B6' B5' 58.76(18) . . ?
C1' B6' H6' 116.2(16) . . ?
C1' B6' B10' 105.1(2) . . ?
C1' B6' B11' 104.6(2) . . ?
C2' B6' C1' 56.77(17) . . ?
C2' B6' B5' 103.4(2) . . ?
C2' B6' H6' 117.1(16) . . ?
C2' B6' B10' 103.9(2) . . ?
C2' B6' B11' 57.88(18) . . ?
B5' B6' H6' 125.5(16) . . ?
B10' B6' B5' 59.8(2) . . ?
B10' B6' H6' 132.8(16) . . ?
B10' B6' B11' 60.4(2) . . ?
B11' B6' B5' 107.6(2) . . ?
B11' B6' H6' 124.1(16) . . ?
C2' B7' B3' 58.46(18) . . ?
C2' B7' H7' 117.5(16) . . ?
C2' B7' B8' 103.8(2) . . ?
C2' B7' B11' 58.20(18) . . ?
C2' B7' B12' 103.9(2) . . ?
B3' B7' H7' 117.0(15) . . ?
B3' B7' B8' 59.25(19) . . ?
B3' B7' B11' 107.5(2) . . ?
B3' B7' B12' 107.6(2) . . ?
B8' B7' H7' 127.2(16) . . ?
B11' B7' H7' 120.8(16) . . ?
B11' B7' B8' 108.2(2) . . ?
B12' B7' H7' 130.2(15) . . ?
B12' B7' B8' 60.6(2) . . ?
B12' B7' B11' 59.9(2) . . ?
B3' B8' B4' 60.08(18) . . ?
B3' B8' B7' 60.23(19) . . ?
B3' B8' H8' 119.5(15) . . ?
B3' B8' B9' 107.8(2) . . ?
B3' B8' B12' 107.6(2) . . ?
B4' B8' B7' 108.3(2) . . ?
B4' B8' H8' 119.9(15) . . ?
B4' B8' B9' 60.02(19) . . ?
B4' B8' B12' 107.7(2) . . ?
B7' B8' H8' 121.9(16) . . ?
B7' B8' B9' 107.5(2) . . ?
B7' B8' B12' 59.7(2) . . ?
B9' B8' H8' 123.3(16) . . ?
B9' B8' B12' 59.5(2) . . ?
B12' B8' H8' 124.6(15) . . ?
B4' B9' B8' 59.84(19) . . ?
B4' B9' H9' 120.0(17) . . ?
B5' B9' B4' 60.31(19) . . ?
B5' B9' B8' 108.4(2) . . ?
B5' B9' H9' 121.6(17) . . ?
B5' B9' B10' 59.7(2) . . ?
B5' B9' B12' 108.3(3) . . ?
B8' B9' H9' 120.3(17) . . ?
B10' B9' B4' 108.1(2) . . ?
B10' B9' B8' 108.7(3) . . ?
B10' B9' H9' 123.2(17) . . ?
B12' B9' B4' 108.4(2) . . ?
B12' B9' B8' 60.6(2) . . ?
B12' B9' H9' 122.4(17) . . ?
B12' B9' B10' 60.3(2) . . ?
B5' B10' B9' 59.9(2) . . ?
B5' B10' H10' 120.4(16) . . ?
B5' B10' B11' 108.1(2) . . ?
B5' B10' B12' 108.0(2) . . ?
B6' B10' B5' 60.54(19) . . ?
B6' B10' B9' 108.4(2) . . ?
B6' B10' H10' 117.5(16) . . ?
B6' B10' B11' 60.3(2) . . ?
B6' B10' B12' 108.4(2) . . ?
B9' B10' H10' 124.9(16) . . ?
B9' B10' B11' 107.3(2) . . ?
B9' B10' B12' 59.7(2) . . ?
B11' B10' H10' 120.8(16) . . ?
B11' B10' B12' 59.6(2) . . ?
B12' B10' H10' 124.7(16) . . ?
C2' B11' B6' 59.32(18) . . ?
C2' B11' B7' 58.81(18) . . ?
C2' B11' B10' 104.2(2) . . ?
C2' B11' H11' 118.4(16) . . ?
C2' B11' B12' 104.5(2) . . ?
B6' B11' B10' 59.39(19) . . ?
B6' B11' H11' 117.5(16) . . ?
B7' B11' B6' 109.1(2) . . ?
B7' B11' B10' 108.3(3) . . ?
B7' B11' H11' 120.0(16) . . ?
B10' B11' H11' 126.9(16) . . ?
B12' B11' B6' 108.2(3) . . ?
B12' B11' B7' 60.1(2) . . ?
B12' B11' B10' 60.3(2) . . ?
B12' B11' H11' 128.4(16) . . ?
B7' B12' B8' 59.7(2) . . ?
B7' B12' B10' 108.2(2) . . ?
B7' B12' H12' 119.4(16) . . ?
B8' B12' H12' 123.0(16) . . ?
B9' B12' B7' 107.9(2) . . ?
B9' B12' B8' 59.9(2) . . ?
B9' B12' B10' 59.9(2) . . ?
B9' B12' H12' 124.8(16) . . ?
B10' B12' B8' 107.9(2) . . ?
B10' B12' H12' 122.3(16) . . ?
B11' B12' B7' 60.08(19) . . ?
B11' B12' B8' 107.7(2) . . ?
B11' B12' B9' 107.9(2) . . ?
B11' B12' B10' 60.1(2) . . ?
B11' B12' H12' 119.3(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 B6 B5 -37.7(2) . . . . ?
C1 C2 B6 B10 -99.6(2) . . . . ?
C1 C2 B6 B11 -142.3(2) . . . . ?
C1 C2 B7 Ni3 -56.9(2) . . . . ?
C1 C2 B7 B8 -2.7(3) . . . . ?
C1 C2 B7 B11 101.2(3) . . . . ?
C1 C2 B7 B12 60.0(3) . . . . ?
C1 C2 B11 B6 35.1(2) . . . . ?
C1 C2 B11 B7 -109.6(2) . . . . ?
C1 C2 B11 B10 -6.3(3) . . . . ?
C1 C2 B11 B12 -67.7(3) . . . . ?
C1 B4 B5 B6 34.9(2) . . . . ?
C1 B4 B5 B9 136.1(2) . . . . ?
C1 B4 B5 B10 97.8(2) . . . . ?
C1 B4 B8 Ni3 58.83(18) . . . . ?
C1 B4 B8 B7 6.5(3) . . . . ?
C1 B4 B8 B9 -95.5(2) . . . . ?
C1 B4 B8 B12 -55.9(3) . . . . ?
C1 B4 B9 B5 -37.1(2) . . . . ?
C1 B4 B9 B8 103.4(2) . . . . ?
C1 B4 B9 B10 0.2(3) . . . . ?
C1 B4 B9 B12 62.7(3) . . . . ?
C1 B5 B6 C2 35.47(19) . . . . ?
C1 B5 B6 B10 135.3(2) . . . . ?
C1 B5 B6 B11 95.5(2) . . . . ?
C1 B5 B9 B4 37.7(2) . . . . ?
C1 B5 B9 B8 0.3(3) . . . . ?
C1 B5 B9 B10 -99.8(2) . . . . ?
C1 B5 B9 B12 -64.4(3) . . . . ?
C1 B5 B10 B6 -39.1(2) . . . . ?
C1 B5 B10 B9 99.0(2) . . . . ?
C1 B5 B10 B11 -0.1(3) . . . . ?
C1 B5 B10 B12 62.8(3) . . . . ?
C1 B6 B10 B5 38.7(2) . . . . ?
C1 B6 B10 B9 0.9(3) . . . . ?
C1 B6 B10 B11 -97.4(2) . . . . ?
C1 B6 B10 B12 -62.8(3) . . . . ?
C1 B6 B11 C2 -30.67(19) . . . . ?
C1 B6 B11 B7 1.8(3) . . . . ?
C1 B6 B11 B10 100.6(2) . . . . ?
C1 B6 B11 B12 66.4(3) . . . . ?
C1 C1' C2' B3' 109.3(3) . . . . ?
C1 C1' C2' B6' -105.1(3) . . . . ?
C1 C1' C2' B7' 147.4(3) . . . . ?
C1 C1' C2' B11' -143.4(2) . . . . ?
C1 C1' B3' C2' -108.0(3) . . . . ?
C1 C1' B3' B4' 114.7(3) . . . . ?
C1 C1' B3' B7' -142.5(2) . . . . ?
C1 C1' B3' B8' 154.2(2) . . . . ?
C1 C1' B4' B3' -107.8(3) . . . . ?
C1 C1' B4' B5' 111.4(3) . . . . ?
C1 C1' B4' B8' -146.7(3) . . . . ?
C1 C1' B4' B9' 150.7(3) . . . . ?
C1 C1' B5' B4' -114.2(3) . . . . ?
C1 C1' B5' B6' 104.1(3) . . . . ?
C1 C1' B5' B9' -153.8(3) . . . . ?
C1 C1' B5' B10' 143.4(3) . . . . ?
C1 C1' B6' C2' 109.8(3) . . . . ?
C1 C1' B6' B5' -114.0(3) . . . . ?
C1 C1' B6' B10' -153.3(2) . . . . ?
C1 C1' B6' B11' 144.0(2) . . . . ?
C2 C1 B4 Ni3 45.77(17) . . . . ?
C2 C1 B4 B5 -106.5(2) . . . . ?
C2 C1 B4 B8 -8.0(3) . . . . ?
C2 C1 B4 B9 -68.5(3) . . . . ?
C2 C1 B5 B4 97.7(2) . . . . ?
C2 C1 B5 B6 -43.1(2) . . . . ?
C2 C1 B5 B9 59.3(3) . . . . ?
C2 C1 B5 B10 -3.9(3) . . . . ?
C2 C1 B6 B5 135.3(2) . . . . ?
C2 C1 B6 B10 95.9(2) . . . . ?
C2 C1 B6 B11 32.4(2) . . . . ?
C2 C1 C1' C2' -108.5(3) . . . . ?
C2 C1 C1' B3' -38.5(3) . . . . ?
C2 C1 C1' B4' 35.0(4) . . . . ?
C2 C1 C1' B5' 110.8(3) . . . . ?
C2 C1 C1' B6' -177.9(2) . . . . ?
C2 B6 B10 B5 94.8(2) . . . . ?
C2 B6 B10 B9 57.0(3) . . . . ?
C2 B6 B10 B11 -41.3(2) . . . . ?
C2 B6 B10 B12 -6.7(3) . . . . ?
C2 B6 B11 B7 32.5(2) . . . . ?
C2 B6 B11 B10 131.2(2) . . . . ?
C2 B6 B11 B12 97.1(2) . . . . ?
C2 B7 B8 Ni3 -53.99(16) . . . . ?
C2 B7 B8 B4 -2.4(3) . . . . ?
C2 B7 B8 B9 59.7(3) . . . . ?
C2 B7 B8 B12 97.9(2) . . . . ?
C2 B7 B11 B6 -32.9(2) . . . . ?
C2 B7 B11 B10 -95.7(2) . . . . ?
C2 B7 B11 B12 -132.1(2) . . . . ?
C2 B7 B12 B8 -98.6(2) . . . . ?
C2 B7 B12 B9 -60.9(3) . . . . ?
C2 B7 B12 B10 3.4(3) . . . . ?
C2 B7 B12 B11 40.9(2) . . . . ?
C2 B11 B12 B7 -41.5(2) . . . . ?
C2 B11 B12 B8 -5.6(3) . . . . ?
C2 B11 B12 B9 57.3(3) . . . . ?
C2 B11 B12 B10 97.6(2) . . . . ?
Ni3 C1 C2 B6 154.88(18) . . . . ?
Ni3 C1 C2 B7 52.14(19) . . . . ?
Ni3 C1 C2 B11 119.9(2) . . . . ?
Ni3 C1 B4 B5 -152.26(19) . . . . ?
Ni3 C1 B4 B8 -53.79(17) . . . . ?
Ni3 C1 B4 B9 -114.3(2) . . . . ?
Ni3 C1 B5 B4 28.08(19) . . . . ?
Ni3 C1 B5 B6 -112.7(2) . . . . ?
Ni3 C1 B5 B9 -10.4(3) . . . . ?
Ni3 C1 B5 B10 -73.6(2) . . . . ?
Ni3 C1 B6 C2 -26.38(19) . . . . ?
Ni3 C1 B6 B5 108.9(2) . . . . ?
Ni3 C1 B6 B10 69.5(3) . . . . ?
Ni3 C1 B6 B11 6.0(3) . . . . ?
Ni3 C1 C1' C2' -36.9(3) . . . . ?
Ni3 C1 C1' B3' 33.1(3) . . . . ?
Ni3 C1 C1' B4' 106.6(3) . . . . ?
Ni3 C1 C1' B5' -177.65(19) . . . . ?
Ni3 C1 C1' B6' -106.3(2) . . . . ?
Ni3 P1 O11 C11 -102.1(2) . . . . ?
Ni3 P1 O12 C12 -168.33(19) . . . . ?
Ni3 P1 O13 C13 5.8(3) . . . . ?
Ni3 P2 O21 C21 160.8(2) . . . . ?
Ni3 P2 O22 C22 169.1(2) . . . . ?
Ni3 P2 O23 C23 80.4(2) . . . . ?
Ni3 C2 B6 C1 32.3(2) . . . . ?
Ni3 C2 B6 B5 -5.5(3) . . . . ?
Ni3 C2 B6 B10 -67.3(3) . . . . ?
Ni3 C2 B6 B11 -110.0(3) . . . . ?
Ni3 C2 B7 B8 54.14(17) . . . . ?
Ni3 C2 B7 B11 158.1(2) . . . . ?
Ni3 C2 B7 B12 116.9(2) . . . . ?
Ni3 C2 B11 B6 120.8(2) . . . . ?
Ni3 C2 B11 B7 -23.9(2) . . . . ?
Ni3 C2 B11 B10 79.4(3) . . . . ?
Ni3 C2 B11 B12 18.0(3) . . . . ?
Ni3 B4 B5 C1 -32.1(2) . . . . ?
Ni3 B4 B5 B6 2.8(3) . . . . ?
Ni3 B4 B5 B9 104.0(3) . . . . ?
Ni3 B4 B5 B10 65.7(3) . . . . ?
Ni3 B4 B8 B7 -52.37(17) . . . . ?
Ni3 B4 B8 B9 -154.3(2) . . . . ?
Ni3 B4 B8 B12 -114.8(2) . . . . ?
Ni3 B4 B9 B5 -114.5(2) . . . . ?
Ni3 B4 B9 B8 26.0(2) . . . . ?
Ni3 B4 B9 B10 -77.2(3) . . . . ?
Ni3 B4 B9 B12 -14.7(3) . . . . ?
Ni3 B7 B8 B4 51.57(16) . . . . ?
Ni3 B7 B8 B9 113.7(2) . . . . ?
Ni3 B7 B8 B12 151.8(2) . . . . ?
Ni3 B7 B11 C2 23.2(2) . . . . ?
Ni3 B7 B11 B6 -9.8(3) . . . . ?
Ni3 B7 B11 B10 -72.5(3) . . . . ?
Ni3 B7 B11 B12 -108.9(3) . . . . ?
Ni3 B7 B12 B8 -29.7(2) . . . . ?
Ni3 B7 B12 B9 8.1(3) . . . . ?
Ni3 B7 B12 B10 72.4(3) . . . . ?
Ni3 B7 B12 B11 109.8(2) . . . . ?
Ni3 B8 B9 B4 -26.2(2) . . . . ?
Ni3 B8 B9 B5 10.6(3) . . . . ?
Ni3 B8 B9 B10 73.9(3) . . . . ?
Ni3 B8 B9 B12 108.7(2) . . . . ?
Ni3 B8 B12 B7 29.2(2) . . . . ?
Ni3 B8 B12 B9 -107.8(2) . . . . ?
Ni3 B8 B12 B10 -72.1(3) . . . . ?
Ni3 B8 B12 B11 -7.1(3) . . . . ?
B4 C1 C2 Ni3 -45.22(17) . . . . ?
B4 C1 C2 B6 109.7(2) . . . . ?
B4 C1 C2 B7 6.9(3) . . . . ?
B4 C1 C2 B11 74.7(3) . . . . ?
B4 C1 B5 B6 -140.8(2) . . . . ?
B4 C1 B5 B9 -38.5(2) . . . . ?
B4 C1 B5 B10 -101.7(2) . . . . ?
B4 C1 B6 C2 -96.7(2) . . . . ?
B4 C1 B6 B5 38.6(2) . . . . ?
B4 C1 B6 B10 -0.9(3) . . . . ?
B4 C1 B6 B11 -64.3(3) . . . . ?
B4 C1 C1' C2' 34.8(4) . . . . ?
B4 C1 C1' B3' 104.9(3) . . . . ?
B4 C1 C1' B4' 178.3(2) . . . . ?
B4 C1 C1' B5' -105.9(3) . . . . ?
B4 C1 C1' B6' -34.6(4) . . . . ?
B4 B5 B6 C1 -34.3(2) . . . . ?
B4 B5 B6 C2 1.2(3) . . . . ?
B4 B5 B6 B10 101.0(2) . . . . ?
B4 B5 B6 B11 61.2(3) . . . . ?
B4 B5 B9 B8 -37.4(2) . . . . ?
B4 B5 B9 B10 -137.5(2) . . . . ?
B4 B5 B9 B12 -102.1(2) . . . . ?
B4 B5 B10 B6 -100.2(2) . . . . ?
B4 B5 B10 B9 37.9(2) . . . . ?
B4 B5 B10 B11 -61.2(3) . . . . ?
B4 B5 B10 B12 1.7(3) . . . . ?
B4 B8 B9 B5 36.8(2) . . . . ?
B4 B8 B9 B10 100.1(2) . . . . ?
B4 B8 B9 B12 134.9(2) . . . . ?
B4 B8 B12 B7 97.6(2) . . . . ?
B4 B8 B12 B9 -39.4(2) . . . . ?
B4 B8 B12 B10 -3.8(3) . . . . ?
B4 B8 B12 B11 61.3(3) . . . . ?
B4 B9 B10 B5 -38.2(2) . . . . ?
B4 B9 B10 B6 -0.7(3) . . . . ?
B4 B9 B10 B11 62.6(3) . . . . ?
B4 B9 B10 B12 101.6(3) . . . . ?
B4 B9 B12 B7 3.9(3) . . . . ?
B4 B9 B12 B8 41.5(2) . . . . ?
B4 B9 B12 B10 -99.6(2) . . . . ?
B4 B9 B12 B11 -59.3(3) . . . . ?
B5 C1 C2 Ni3 -113.3(2) . . . . ?
B5 C1 C2 B6 41.6(2) . . . . ?
B5 C1 C2 B7 -61.1(3) . . . . ?
B5 C1 C2 B11 6.6(3) . . . . ?
B5 C1 B4 Ni3 152.26(19) . . . . ?
B5 C1 B4 B8 98.5(2) . . . . ?
B5 C1 B4 B9 38.0(2) . . . . ?
B5 C1 B6 C2 -135.3(2) . . . . ?
B5 C1 B6 B10 -39.5(2) . . . . ?
B5 C1 B6 B11 -102.9(2) . . . . ?
B5 C1 C1' C2' 111.1(3) . . . . ?
B5 C1 C1' B3' -178.9(2) . . . . ?
B5 C1 C1' B4' -105.4(3) . . . . ?
B5 C1 C1' B5' -29.7(4) . . . . ?
B5 C1 C1' B6' 41.7(3) . . . . ?
B5 B4 B8 Ni3 119.5(2) . . . . ?
B5 B4 B8 B7 67.1(3) . . . . ?
B5 B4 B8 B9 -34.8(2) . . . . ?
B5 B4 B8 B12 4.7(3) . . . . ?
B5 B4 B9 B8 140.5(2) . . . . ?
B5 B4 B9 B10 37.3(2) . . . . ?
B5 B4 B9 B12 99.8(2) . . . . ?
B5 B6 B10 B9 -37.8(2) . . . . ?
B5 B6 B10 B11 -136.1(2) . . . . ?
B5 B6 B10 B12 -101.5(3) . . . . ?
B5 B6 B11 C2 -91.9(2) . . . . ?
B5 B6 B11 B7 -59.4(3) . . . . ?
B5 B6 B11 B10 39.4(2) . . . . ?
B5 B6 B11 B12 5.2(3) . . . . ?
B5 B9 B10 B6 37.5(2) . . . . ?
B5 B9 B10 B11 100.8(2) . . . . ?
B5 B9 B10 B12 139.9(2) . . . . ?
B5 B9 B12 B7 68.3(3) . . . . ?
B5 B9 B12 B8 105.9(2) . . . . ?
B5 B9 B12 B10 -35.3(2) . . . . ?
B5 B9 B12 B11 5.1(3) . . . . ?
B5 B10 B11 C2 3.6(3) . . . . ?
B5 B10 B11 B6 -38.9(2) . . . . ?
B5 B10 B11 B7 65.9(3) . . . . ?
B5 B10 B11 B12 102.7(2) . . . . ?
B5 B10 B12 B7 -61.8(3) . . . . ?
B5 B10 B12 B8 1.4(3) . . . . ?
B5 B10 B12 B9 36.5(2) . . . . ?
B5 B10 B12 B11 -98.8(2) . . . . ?
B6 C1 C2 Ni3 -154.88(18) . . . . ?
B6 C1 C2 B7 -102.7(3) . . . . ?
B6 C1 C2 B11 -35.0(2) . . . . ?
B6 C1 B4 Ni3 114.7(2) . . . . ?
B6 C1 B4 B5 -37.5(2) . . . . ?
B6 C1 B4 B8 60.9(3) . . . . ?
B6 C1 B4 B9 0.4(3) . . . . ?
B6 C1 B5 B4 140.8(2) . . . . ?
B6 C1 B5 B9 102.4(2) . . . . ?
B6 C1 B5 B10 39.1(2) . . . . ?
B6 C1 C1' C2' 179.1(2) . . . . ?
B6 C1 C1' B3' -110.9(3) . . . . ?
B6 C1 C1' B4' -37.4(3) . . . . ?
B6 C1 C1' B5' 38.3(3) . . . . ?
B6 C1 C1' B6' 109.7(3) . . . . ?
B6 C2 B7 Ni3 -124.9(2) . . . . ?
B6 C2 B7 B8 -70.7(3) . . . . ?
B6 C2 B7 B11 33.2(2) . . . . ?
B6 C2 B7 B12 -8.0(3) . . . . ?
B6 C2 B11 B7 -144.7(2) . . . . ?
B6 C2 B11 B10 -41.4(2) . . . . ?
B6 C2 B11 B12 -102.9(2) . . . . ?
B6 B5 B9 B4 100.2(2) . . . . ?
B6 B5 B9 B8 62.8(3) . . . . ?
B6 B5 B9 B10 -37.3(2) . . . . ?
B6 B5 B9 B12 -1.9(3) . . . . ?
B6 B5 B10 B9 138.1(2) . . . . ?
B6 B5 B10 B11 39.0(2) . . . . ?
B6 B5 B10 B12 101.9(3) . . . . ?
B6 B10 B11 C2 42.6(2) . . . . ?
B6 B10 B11 B7 104.8(2) . . . . ?
B6 B10 B11 B12 141.7(2) . . . . ?
B6 B10 B12 B7 2.2(3) . . . . ?
B6 B10 B12 B8 65.4(3) . . . . ?
B6 B10 B12 B9 100.5(3) . . . . ?
B6 B10 B12 B11 -34.8(2) . . . . ?
B6 B11 B12 B7 -105.2(2) . . . . ?
B6 B11 B12 B8 -69.3(3) . . . . ?
B6 B11 B12 B9 -6.4(3) . . . . ?
B6 B11 B12 B10 33.9(2) . . . . ?
B7 C2 B6 C1 108.9(2) . . . . ?
B7 C2 B6 B5 71.2(3) . . . . ?
B7 C2 B6 B10 9.3(3) . . . . ?
B7 C2 B6 B11 -33.4(2) . . . . ?
B7 C2 B11 B6 144.7(2) . . . . ?
B7 C2 B11 B10 103.3(2) . . . . ?
B7 C2 B11 B12 41.8(2) . . . . ?
B7 B8 B9 B4 -96.7(2) . . . . ?
B7 B8 B9 B5 -59.9(3) . . . . ?
B7 B8 B9 B10 3.4(3) . . . . ?
B7 B8 B9 B12 38.2(2) . . . . ?
B7 B8 B12 B9 -137.0(2) . . . . ?
B7 B8 B12 B10 -101.4(3) . . . . ?
B7 B8 B12 B11 -36.3(2) . . . . ?
B7 B11 B12 B8 35.9(2) . . . . ?
B7 B11 B12 B9 98.8(2) . . . . ?
B7 B11 B12 B10 139.1(2) . . . . ?
B8 B4 B5 C1 -101.8(2) . . . . ?
B8 B4 B5 B6 -66.9(3) . . . . ?
B8 B4 B5 B9 34.3(2) . . . . ?
B8 B4 B5 B10 -4.0(3) . . . . ?
B8 B4 B9 B5 -140.5(2) . . . . ?
B8 B4 B9 B10 -103.2(3) . . . . ?
B8 B4 B9 B12 -40.7(2) . . . . ?
B8 B7 B11 C2 95.2(2) . . . . ?
B8 B7 B11 B6 62.3(3) . . . . ?
B8 B7 B11 B10 -0.4(3) . . . . ?
B8 B7 B11 B12 -36.8(2) . . . . ?
B8 B7 B12 B9 37.7(2) . . . . ?
B8 B7 B12 B10 102.0(3) . . . . ?
B8 B7 B12 B11 139.5(2) . . . . ?
B8 B9 B10 B5 -104.4(3) . . . . ?
B8 B9 B10 B6 -66.9(3) . . . . ?
B8 B9 B10 B11 -3.6(3) . . . . ?
B8 B9 B10 B12 35.4(2) . . . . ?
B8 B9 B12 B7 -37.6(2) . . . . ?
B8 B9 B12 B10 -141.1(2) . . . . ?
B8 B9 B12 B11 -100.8(2) . . . . ?
B9 B4 B5 C1 -136.1(2) . . . . ?
B9 B4 B5 B6 -101.2(3) . . . . ?
B9 B4 B5 B10 -38.2(2) . . . . ?
B9 B4 B8 Ni3 154.3(2) . . . . ?
B9 B4 B8 B7 101.9(2) . . . . ?
B9 B4 B8 B12 39.5(2) . . . . ?
B9 B5 B6 C1 -97.5(2) . . . . ?
B9 B5 B6 C2 -62.1(3) . . . . ?
B9 B5 B6 B10 37.7(2) . . . . ?
B9 B5 B6 B11 -2.0(3) . . . . ?
B9 B5 B10 B6 -138.1(2) . . . . ?
B9 B5 B10 B11 -99.1(2) . . . . ?
B9 B5 B10 B12 -36.2(2) . . . . ?
B9 B8 B12 B7 137.0(2) . . . . ?
B9 B8 B12 B10 35.7(2) . . . . ?
B9 B8 B12 B11 100.7(3) . . . . ?
B9 B10 B11 C2 -59.8(3) . . . . ?
B9 B10 B11 B6 -102.4(2) . . . . ?
B9 B10 B11 B7 2.5(3) . . . . ?
B9 B10 B11 B12 39.3(2) . . . . ?
B9 B10 B12 B7 -98.3(3) . . . . ?
B9 B10 B12 B8 -35.1(2) . . . . ?
B9 B10 B12 B11 -135.3(2) . . . . ?
B10 B5 B6 C1 -135.3(2) . . . . ?
B10 B5 B6 C2 -99.8(2) . . . . ?
B10 B5 B6 B11 -39.7(2) . . . . ?
B10 B5 B9 B4 137.5(2) . . . . ?
B10 B5 B9 B8 100.1(3) . . . . ?
B10 B5 B9 B12 35.4(2) . . . . ?
B10 B6 B11 C2 -131.2(2) . . . . ?
B10 B6 B11 B7 -98.7(3) . . . . ?
B10 B6 B11 B12 -34.2(2) . . . . ?
B10 B9 B12 B7 103.5(2) . . . . ?
B10 B9 B12 B8 141.1(2) . . . . ?
B10 B9 B12 B11 40.4(2) . . . . ?
B10 B11 B12 B7 -139.1(2) . . . . ?
B10 B11 B12 B8 -103.2(3) . . . . ?
B10 B11 B12 B9 -40.2(2) . . . . ?
O11 P1 O12 C12 -43.2(2) . . . . ?
O11 P1 O13 C13 -121.5(2) . . . . ?
B11 C2 B6 C1 142.3(2) . . . . ?
B11 C2 B6 B5 104.6(2) . . . . ?
B11 C2 B6 B10 42.7(2) . . . . ?
B11 C2 B7 Ni3 -158.1(2) . . . . ?
B11 C2 B7 B8 -103.9(2) . . . . ?
B11 C2 B7 B12 -41.2(2) . . . . ?
B11 B6 B10 B5 136.1(2) . . . . ?
B11 B6 B10 B9 98.3(3) . . . . ?
B11 B6 B10 B12 34.5(2) . . . . ?
B11 B7 B8 Ni3 -115.5(2) . . . . ?
B11 B7 B8 B4 -64.0(3) . . . . ?
B11 B7 B8 B9 -1.8(3) . . . . ?
B11 B7 B8 B12 36.3(2) . . . . ?
B11 B7 B12 B8 -139.5(2) . . . . ?
B11 B7 B12 B9 -101.7(2) . . . . ?
B11 B7 B12 B10 -37.5(2) . . . . ?
B11 B10 B12 B7 37.0(2) . . . . ?
B11 B10 B12 B8 100.2(3) . . . . ?
B11 B10 B12 B9 135.3(2) . . . . ?
B12 B7 B8 Ni3 -151.8(2) . . . . ?
B12 B7 B8 B4 -100.3(2) . . . . ?
B12 B7 B8 B9 -38.1(2) . . . . ?
B12 B7 B11 C2 132.1(2) . . . . ?
B12 B7 B11 B6 99.1(3) . . . . ?
B12 B7 B11 B10 36.4(2) . . . . ?
B12 B8 B9 B4 -134.9(2) . . . . ?
B12 B8 B9 B5 -98.1(3) . . . . ?
B12 B8 B9 B10 -34.8(2) . . . . ?
B12 B9 B10 B5 -139.9(2) . . . . ?
B12 B9 B10 B6 -102.3(3) . . . . ?
B12 B9 B10 B11 -39.1(2) . . . . ?
B12 B10 B11 C2 -99.1(2) . . . . ?
B12 B10 B11 B6 -141.7(2) . . . . ?
B12 B10 B11 B7 -36.8(2) . . . . ?
O12 P1 O11 C11 133.5(3) . . . . ?
O12 P1 O13 C13 133.4(2) . . . . ?
O13 P1 O11 C11 25.6(3) . . . . ?
O13 P1 O12 C12 62.9(2) . . . . ?
O21 P2 O22 C22 46.2(3) . . . . ?
O21 P2 O23 C23 -155.5(2) . . . . ?
O22 P2 O21 C21 -78.2(2) . . . . ?
O22 P2 O23 C23 -43.2(2) . . . . ?
O23 P2 O21 C21 30.7(2) . . . . ?
O23 P2 O22 C22 -59.9(3) . . . . ?
C1' C1 C2 Ni3 104.4(2) . . . . ?
C1' C1 C2 B6 -100.8(3) . . . . ?
C1' C1 C2 B7 156.5(2) . . . . ?
C1' C1 C2 B11 -135.7(2) . . . . ?
C1' C1 B4 Ni3 -101.9(3) . . . . ?
C1' C1 B4 B5 105.8(3) . . . . ?
C1' C1 B4 B8 -155.7(2) . . . . ?
C1' C1 B4 B9 143.8(3) . . . . ?
C1' C1 B5 B4 -118.4(3) . . . . ?
C1' C1 B5 B6 100.8(3) . . . . ?
C1' C1 B5 B9 -156.9(2) . . . . ?
C1' C1 B5 B10 139.9(2) . . . . ?
C1' C1 B6 C2 114.7(3) . . . . ?
C1' C1 B6 B5 -109.9(3) . . . . ?
C1' C1 B6 B10 -149.4(2) . . . . ?
C1' C1 B6 B11 147.1(2) . . . . ?
C1' C2' B3' B4' 36.9(2) . . . . ?
C1' C2' B3' B7' 140.4(2) . . . . ?
C1' C2' B3' B8' 99.8(2) . . . . ?
C1' C2' B6' B5' -37.5(2) . . . . ?
C1' C2' B6' B10' -99.2(2) . . . . ?
C1' C2' B6' B11' -140.0(2) . . . . ?
C1' C2' B7' B3' -37.9(2) . . . . ?
C1' C2' B7' B8' 1.8(3) . . . . ?
C1' C2' B7' B11' 104.9(3) . . . . ?
C1' C2' B7' B12' 64.4(3) . . . . ?
C1' C2' B11' B6' 38.1(2) . . . . ?
C1' C2' B11' B7' -105.4(3) . . . . ?
C1' C2' B11' B10' -2.4(3) . . . . ?
C1' C2' B11' B12' -64.8(3) . . . . ?
C1' B3' B4' B5' 34.7(2) . . . . ?
C1' B3' B4' B8' 135.4(2) . . . . ?
C1' B3' B4' B9' 97.7(2) . . . . ?
C1' B3' B7' C2' 33.9(2) . . . . ?
C1' B3' B7' B8' -99.9(2) . . . . ?
C1' B3' B7' B11' 1.2(3) . . . . ?
C1' B3' B7' B12' -61.9(3) . . . . ?
C1' B3' B8' B4' -38.8(2) . . . . ?
C1' B3' B8' B7' 99.5(2) . . . . ?
C1' B3' B8' B9' -0.9(3) . . . . ?
C1' B3' B8' B12' 61.9(3) . . . . ?
C1' B4' B5' B6' 34.2(2) . . . . ?
C1' B4' B5' B9' 134.8(3) . . . . ?
C1' B4' B5' B10' 97.4(3) . . . . ?
C1' B4' B8' B3' 38.9(2) . . . . ?
C1' B4' B8' B7' 1.4(3) . . . . ?
C1' B4' B8' B9' -98.7(2) . . . . ?
C1' B4' B8' B12' -61.7(3) . . . . ?
C1' B4' B9' B5' -39.0(2) . . . . ?
C1' B4' B9' B8' 99.6(2) . . . . ?
C1' B4' B9' B10' -1.9(3) . . . . ?
C1' B4' B9' B12' 62.0(3) . . . . ?
C1' B5' B6' C2' 36.52(19) . . . . ?
C1' B5' B6' B10' 134.9(2) . . . . ?
C1' B5' B6' B11' 96.7(2) . . . . ?
C1' B5' B9' B4' 39.0(2) . . . . ?
C1' B5' B9' B8' 2.0(3) . . . . ?
C1' B5' B9' B10' -99.4(3) . . . . ?
C1' B5' B9' B12' -62.2(3) . . . . ?
C1' B5' B10' B6' -39.2(2) . . . . ?
C1' B5' B10' B9' 99.0(2) . . . . ?
C1' B5' B10' B11' -0.9(3) . . . . ?
C1' B5' B10' B12' 62.2(3) . . . . ?
C1' B6' B10' B5' 38.8(2) . . . . ?
C1' B6' B10' B9' 1.4(3) . . . . ?
C1' B6' B10' B11' -98.4(2) . . . . ?
C1' B6' B10' B12' -61.9(3) . . . . ?
C1' B6' B11' C2' -33.7(2) . . . . ?
C1' B6' B11' B7' -1.1(3) . . . . ?
C1' B6' B11' B10' 99.4(3) . . . . ?
C1' B6' B11' B12' 62.6(3) . . . . ?
C2' C1' B3' B4' -137.3(2) . . . . ?
C2' C1' B3' B7' -34.5(2) . . . . ?
C2' C1' B3' B8' -97.8(2) . . . . ?
C2' C1' B4' B3' 38.6(2) . . . . ?
C2' C1' B4' B5' -102.2(2) . . . . ?
C2' C1' B4' B8' -0.3(3) . . . . ?
C2' C1' B4' B9' -62.9(3) . . . . ?
C2' C1' B5' B4' 101.9(2) . . . . ?
C2' C1' B5' B6' -39.9(2) . . . . ?
C2' C1' B5' B9' 62.3(3) . . . . ?
C2' C1' B5' B10' -0.5(3) . . . . ?
C2' C1' B6' B5' 136.2(2) . . . . ?
C2' C1' B6' B10' 96.9(2) . . . . ?
C2' C1' B6' B11' 34.2(2) . . . . ?
C2' B3' B4' C1' -36.1(2) . . . . ?
C2' B3' B4' B5' -1.4(3) . . . . ?
C2' B3' B4' B8' 99.3(2) . . . . ?
C2' B3' B4' B9' 61.5(3) . . . . ?
C2' B3' B7' B8' -133.7(2) . . . . ?
C2' B3' B7' B11' -32.6(2) . . . . ?
C2' B3' B7' B12' -95.8(2) . . . . ?
C2' B3' B8' B4' -98.4(2) . . . . ?
C2' B3' B8' B7' 39.8(2) . . . . ?
C2' B3' B8' B9' -60.6(3) . . . . ?
C2' B3' B8' B12' 2.2(3) . . . . ?
C2' B6' B10' B5' 97.6(2) . . . . ?
C2' B6' B10' B9' 60.3(3) . . . . ?
C2' B6' B10' B11' -39.6(2) . . . . ?
C2' B6' B10' B12' -3.1(3) . . . . ?
C2' B6' B11' B7' 32.6(2) . . . . ?
C2' B6' B11' B10' 133.1(3) . . . . ?
C2' B6' B11' B12' 96.3(3) . . . . ?
C2' B7' B8' B3' -39.4(2) . . . . ?
C2' B7' B8' B4' -1.9(3) . . . . ?
C2' B7' B8' B9' 61.5(3) . . . . ?
C2' B7' B8' B12' 98.3(2) . . . . ?
C2' B7' B11' B6' -32.8(2) . . . . ?
C2' B7' B11' B10' -95.9(3) . . . . ?
C2' B7' B11' B12' -133.3(2) . . . . ?
C2' B7' B12' B8' -98.2(2) . . . . ?
C2' B7' B12' B9' -61.1(3) . . . . ?
C2' B7' B12' B10' 2.2(3) . . . . ?
C2' B7' B12' B11' 39.6(2) . . . . ?
C2' B11' B12' B7' -40.0(2) . . . . ?
C2' B11' B12' B8' -2.5(3) . . . . ?
C2' B11' B12' B9' 60.7(3) . . . . ?
C2' B11' B12' B10' 98.3(2) . . . . ?
B3' C1' C2' B6' 145.6(2) . . . . ?
B3' C1' C2' B7' 38.0(2) . . . . ?
B3' C1' C2' B11' 107.3(3) . . . . ?
B3' C1' B4' B5' -140.8(2) . . . . ?
B3' C1' B4' B8' -38.8(2) . . . . ?
B3' C1' B4' B9' -101.5(2) . . . . ?
B3' C1' B5' B4' 36.9(2) . . . . ?
B3' C1' B5' B6' -104.8(2) . . . . ?
B3' C1' B5' B9' -2.7(3) . . . . ?
B3' C1' B5' B10' -65.5(3) . . . . ?
B3' C1' B6' C2' -32.2(2) . . . . ?
B3' C1' B6' B5' 104.0(2) . . . . ?
B3' C1' B6' B10' 64.7(3) . . . . ?
B3' C1' B6' B11' 2.0(3) . . . . ?
B3' C2' B6' C1' 33.7(2) . . . . ?
B3' C2' B6' B5' -3.8(3) . . . . ?
B3' C2' B6' B10' -65.5(3) . . . . ?
B3' C2' B6' B11' -106.3(3) . . . . ?
B3' C2' B7' B8' 39.8(2) . . . . ?
B3' C2' B7' B11' 142.8(2) . . . . ?
B3' C2' B7' B12' 102.3(3) . . . . ?
B3' C2' B11' B6' 107.1(3) . . . . ?
B3' C2' B11' B7' -36.4(2) . . . . ?
B3' C2' B11' B10' 66.7(3) . . . . ?
B3' C2' B11' B12' 4.2(3) . . . . ?
B3' B4' B5' C1' -35.0(2) . . . . ?
B3' B4' B5' B6' -0.8(3) . . . . ?
B3' B4' B5' B9' 99.9(3) . . . . ?
B3' B4' B5' B10' 62.4(3) . . . . ?
B3' B4' B8' B7' -37.5(2) . . . . ?
B3' B4' B8' B9' -137.6(3) . . . . ?
B3' B4' B8' B12' -100.6(3) . . . . ?
B3' B4' B9' B5' -101.2(3) . . . . ?
B3' B4' B9' B8' 37.5(2) . . . . ?
B3' B4' B9' B10' -64.1(3) . . . . ?
B3' B4' B9' B12' -0.2(3) . . . . ?
B3' B7' B8' B4' 37.4(2) . . . . ?
B3' B7' B8' B9' 100.8(2) . . . . ?
B3' B7' B8' B12' 137.7(2) . . . . ?
B3' B7' B11' C2' 32.7(2) . . . . ?
B3' B7' B11' B6' -0.1(3) . . . . ?
B3' B7' B11' B10' -63.1(3) . . . . ?
B3' B7' B11' B12' -100.6(3) . . . . ?
B3' B7' B12' B8' -37.4(2) . . . . ?
B3' B7' B12' B9' -0.3(3) . . . . ?
B3' B7' B12' B10' 63.1(3) . . . . ?
B3' B7' B12' B11' 100.4(2) . . . . ?
B3' B8' B9' B4' -37.9(2) . . . . ?
B3' B8' B9' B5' -0.7(3) . . . . ?
B3' B8' B9' B10' 62.7(3) . . . . ?
B3' B8' B9' B12' 100.4(3) . . . . ?
B3' B8' B12' B7' 37.8(2) . . . . ?
B3' B8' B12' B9' -100.6(3) . . . . ?
B3' B8' B12' B10' -63.3(3) . . . . ?
B3' B8' B12' B11' 0.2(3) . . . . ?
B4' C1' C2' B3' -39.1(2) . . . . ?
B4' C1' C2' B6' 106.5(2) . . . . ?
B4' C1' C2' B7' -1.0(3) . . . . ?
B4' C1' C2' B11' 68.2(3) . . . . ?
B4' C1' B3' C2' 137.3(2) . . . . ?
B4' C1' B3' B7' 102.7(3) . . . . ?
B4' C1' B3' B8' 39.5(2) . . . . ?
B4' C1' B5' B6' -141.7(2) . . . . ?
B4' C1' B5' B9' -39.6(2) . . . . ?
B4' C1' B5' B10' -102.4(2) . . . . ?
B4' C1' B6' C2' -99.7(2) . . . . ?
B4' C1' B6' B5' 36.6(2) . . . . ?
B4' C1' B6' B10' -2.8(3) . . . . ?
B4' C1' B6' B11' -65.4(3) . . . . ?
B4' B3' B7' C2' 95.9(2) . . . . ?
B4' B3' B7' B8' -37.8(2) . . . . ?
B4' B3' B7' B11' 63.3(3) . . . . ?
B4' B3' B7' B12' 0.2(3) . . . . ?
B4' B3' B8' B7' 138.2(2) . . . . ?
B4' B3' B8' B9' 37.8(2) . . . . ?
B4' B3' B8' B12' 100.7(3) . . . . ?
B4' B5' B6' C1' -33.9(2) . . . . ?
B4' B5' B6' C2' 2.6(3) . . . . ?
B4' B5' B6' B10' 101.0(3) . . . . ?
B4' B5' B6' B11' 62.7(3) . . . . ?
B4' B5' B9' B8' -37.0(2) . . . . ?
B4' B5' B9' B10' -138.4(3) . . . . ?
B4' B5' B9' B12' -101.2(3) . . . . ?
B4' B5' B10' B6' -100.9(3) . . . . ?
B4' B5' B10' B9' 37.3(2) . . . . ?
B4' B5' B10' B11' -62.6(3) . . . . ?
B4' B5' B10' B12' 0.5(3) . . . . ?
B4' B8' B9' B5' 37.2(2) . . . . ?
B4' B8' B9' B10' 100.6(3) . . . . ?
B4' B8' B9' B12' 138.3(3) . . . . ?
B4' B8' B12' B7' 101.2(3) . . . . ?
B4' B8' B12' B9' -37.2(2) . . . . ?
B4' B8' B12' B10' 0.1(3) . . . . ?
B4' B8' B12' B11' 63.6(3) . . . . ?
B4' B9' B10' B5' -37.4(2) . . . . ?
B4' B9' B10' B6' 0.3(3) . . . . ?
B4' B9' B10' B11' 63.9(3) . . . . ?
B4' B9' B10' B12' 101.2(3) . . . . ?
B4' B9' B12' B7' 0.3(3) . . . . ?
B4' B9' B12' B8' 37.3(2) . . . . ?
B4' B9' B12' B10' -100.9(3) . . . . ?
B4' B9' B12' B11' -63.2(3) . . . . ?
B5' C1' C2' B3' -105.4(2) . . . . ?
B5' C1' C2' B6' 40.2(2) . . . . ?
B5' C1' C2' B7' -67.3(3) . . . . ?
B5' C1' C2' B11' 1.9(3) . . . . ?
B5' C1' B3' C2' 100.1(2) . . . . ?
B5' C1' B3' B4' -37.2(2) . . . . ?
B5' C1' B3' B7' 65.5(3) . . . . ?
B5' C1' B3' B8' 2.3(3) . . . . ?
B5' C1' B4' B3' 140.8(2) . . . . ?
B5' C1' B4' B8' 101.9(2) . . . . ?
B5' C1' B4' B9' 39.3(2) . . . . ?
B5' C1' B6' C2' -136.2(2) . . . . ?
B5' C1' B6' B10' -39.3(2) . . . . ?
B5' C1' B6' B11' -102.0(3) . . . . ?
B5' B4' B8' B3' 100.7(3) . . . . ?
B5' B4' B8' B7' 63.2(3) . . . . ?
B5' B4' B8' B9' -36.8(2) . . . . ?
B5' B4' B8' B12' 0.2(3) . . . . ?
B5' B4' B9' B8' 138.6(3) . . . . ?
B5' B4' B9' B10' 37.1(2) . . . . ?
B5' B4' B9' B12' 101.0(3) . . . . ?
B5' B6' B10' B9' -37.4(2) . . . . ?
B5' B6' B10' B11' -137.2(2) . . . . ?
B5' B6' B10' B12' -100.7(3) . . . . ?
B5' B6' B11' C2' -95.1(2) . . . . ?
B5' B6' B11' B7' -62.5(3) . . . . ?
B5' B6' B11' B10' 38.0(2) . . . . ?
B5' B6' B11' B12' 1.3(3) . . . . ?
B5' B9' B10' B6' 37.6(2) . . . . ?
B5' B9' B10' B11' 101.3(3) . . . . ?
B5' B9' B10' B12' 138.6(2) . . . . ?
B5' B9' B12' B7' 64.2(3) . . . . ?
B5' B9' B12' B8' 101.2(3) . . . . ?
B5' B9' B12' B10' -37.0(2) . . . . ?
B5' B9' B12' B11' 0.7(3) . . . . ?
B5' B10' B11' C2' 1.9(3) . . . . ?
B5' B10' B11' B6' -38.5(2) . . . . ?
B5' B10' B11' B7' 63.3(3) . . . . ?
B5' B10' B11' B12' 100.6(3) . . . . ?
B5' B10' B12' B7' -63.5(3) . . . . ?
B5' B10' B12' B8' -0.4(3) . . . . ?
B5' B10' B12' B9' 37.0(2) . . . . ?
B5' B10' B12' B11' -100.9(3) . . . . ?
B6' C1' C2' B3' -145.6(2) . . . . ?
B6' C1' C2' B7' -107.5(3) . . . . ?
B6' C1' C2' B11' -38.3(2) . . . . ?
B6' C1' B3' C2' 32.5(2) . . . . ?
B6' C1' B3' B4' -104.8(3) . . . . ?
B6' C1' B3' B7' -2.1(3) . . . . ?
B6' C1' B3' B8' -65.3(3) . . . . ?
B6' C1' B4' B3' 104.4(2) . . . . ?
B6' C1' B4' B5' -36.4(2) . . . . ?
B6' C1' B4' B8' 65.5(3) . . . . ?
B6' C1' B4' B9' 2.9(3) . . . . ?
B6' C1' B5' B4' 141.7(2) . . . . ?
B6' C1' B5' B9' 102.2(3) . . . . ?
B6' C1' B5' B10' 39.3(2) . . . . ?
B6' C2' B3' C1' -33.6(2) . . . . ?
B6' C2' B3' B4' 3.3(3) . . . . ?
B6' C2' B3' B7' 106.8(3) . . . . ?
B6' C2' B3' B8' 66.2(3) . . . . ?
B6' C2' B7' B3' -106.9(3) . . . . ?
B6' C2' B7' B8' -67.1(3) . . . . ?
B6' C2' B7' B11' 35.9(2) . . . . ?
B6' C2' B7' B12' -4.5(3) . . . . ?
B6' C2' B11' B7' -143.5(3) . . . . ?
B6' C2' B11' B10' -40.4(2) . . . . ?
B6' C2' B11' B12' -102.8(3) . . . . ?
B6' B5' B9' B4' 101.2(3) . . . . ?
B6' B5' B9' B8' 64.2(3) . . . . ?
B6' B5' B9' B10' -37.1(2) . . . . ?
B6' B5' B9' B12' 0.1(3) . . . . ?
B6' B5' B10' B9' 138.3(3) . . . . ?
B6' B5' B10' B11' 38.3(2) . . . . ?
B6' B5' B10' B12' 101.4(3) . . . . ?
B6' B10' B11' C2' 40.4(2) . . . . ?
B6' B10' B11' B7' 101.8(3) . . . . ?
B6' B10' B11' B12' 139.1(3) . . . . ?
B6' B10' B12' B7' 0.5(3) . . . . ?
B6' B10' B12' B8' 63.7(3) . . . . ?
B6' B10' B12' B9' 101.1(3) . . . . ?
B6' B10' B12' B11' -36.8(2) . . . . ?
B6' B11' B12' B7' -102.0(3) . . . . ?
B6' B11' B12' B8' -64.5(3) . . . . ?
B6' B11' B12' B9' -1.2(3) . . . . ?
B6' B11' B12' B10' 36.4(2) . . . . ?
B7' C2' B3' C1' -140.4(2) . . . . ?
B7' C2' B3' B4' -103.5(2) . . . . ?
B7' C2' B3' B8' -40.6(2) . . . . ?
B7' C2' B6' C1' 104.1(3) . . . . ?
B7' C2' B6' B5' 66.6(3) . . . . ?
B7' C2' B6' B10' 4.9(3) . . . . ?
B7' C2' B6' B11' -35.9(3) . . . . ?
B7' C2' B11' B6' 143.5(3) . . . . ?
B7' C2' B11' B10' 103.1(3) . . . . ?
B7' C2' B11' B12' 40.6(2) . . . . ?
B7' B3' B4' C1' -97.7(2) . . . . ?
B7' B3' B4' B5' -62.9(3) . . . . ?
B7' B3' B4' B8' 37.8(2) . . . . ?
B7' B3' B4' B9' 0.0(3) . . . . ?
B7' B3' B8' B4' -138.2(2) . . . . ?
B7' B3' B8' B9' -100.4(3) . . . . ?
B7' B3' B8' B12' -37.6(2) . . . . ?
B7' B8' B9' B4' -101.4(3) . . . . ?
B7' B8' B9' B5' -64.2(3) . . . . ?
B7' B8' B9' B10' -0.8(3) . . . . ?
B7' B8' B9' B12' 36.9(2) . . . . ?
B7' B8' B12' B9' -138.4(2) . . . . ?
B7' B8' B12' B10' -101.1(3) . . . . ?
B7' B8' B12' B11' -37.6(2) . . . . ?
B7' B11' B12' B8' 37.5(2) . . . . ?
B7' B11' B12' B9' 100.7(3) . . . . ?
B7' B11' B12' B10' 138.4(3) . . . . ?
B8' B3' B4' C1' -135.4(2) . . . . ?
B8' B3' B4' B5' -100.7(3) . . . . ?
B8' B3' B4' B9' -37.8(2) . . . . ?
B8' B3' B7' C2' 133.7(2) . . . . ?
B8' B3' B7' B11' 101.1(3) . . . . ?
B8' B3' B7' B12' 38.0(2) . . . . ?
B8' B4' B5' C1' -97.8(2) . . . . ?
B8' B4' B5' B6' -63.6(3) . . . . ?
B8' B4' B5' B9' 37.1(2) . . . . ?
B8' B4' B5' B10' -0.4(3) . . . . ?
B8' B4' B9' B5' -138.6(3) . . . . ?
B8' B4' B9' B10' -101.5(3) . . . . ?
B8' B4' B9' B12' -37.6(2) . . . . ?
B8' B7' B11' C2' 95.3(2) . . . . ?
B8' B7' B11' B6' 62.5(3) . . . . ?
B8' B7' B11' B10' -0.6(3) . . . . ?
B8' B7' B11' B12' -38.0(2) . . . . ?
B8' B7' B12' B9' 37.1(2) . . . . ?
B8' B7' B12' B10' 100.5(3) . . . . ?
B8' B7' B12' B11' 137.8(2) . . . . ?
B8' B9' B10' B5' -100.8(2) . . . . ?
B8' B9' B10' B6' -63.2(3) . . . . ?
B8' B9' B10' B11' 0.5(3) . . . . ?
B8' B9' B10' B12' 37.8(2) . . . . ?
B8' B9' B12' B7' -37.0(2) . . . . ?
B8' B9' B12' B10' -138.2(2) . . . . ?
B8' B9' B12' B11' -100.5(3) . . . . ?
B9' B4' B5' C1' -134.8(3) . . . . ?
B9' B4' B5' B6' -100.7(3) . . . . ?
B9' B4' B5' B10' -37.4(2) . . . . ?
B9' B4' B8' B3' 137.6(3) . . . . ?
B9' B4' B8' B7' 100.1(3) . . . . ?
B9' B4' B8' B12' 37.0(2) . . . . ?
B9' B5' B6' C1' -97.5(2) . . . . ?
B9' B5' B6' C2' -61.0(3) . . . . ?
B9' B5' B6' B10' 37.4(2) . . . . ?
B9' B5' B6' B11' -0.8(3) . . . . ?
B9' B5' B10' B6' -138.3(3) . . . . ?
B9' B5' B10' B11' -99.9(3) . . . . ?
B9' B5' B10' B12' -36.9(2) . . . . ?
B9' B8' B12' B7' 138.4(2) . . . . ?
B9' B8' B12' B10' 37.3(2) . . . . ?
B9' B8' B12' B11' 100.8(3) . . . . ?
B9' B10' B11' C2' -61.3(3) . . . . ?
B9' B10' B11' B6' -101.7(3) . . . . ?
B9' B10' B11' B7' 0.0(3) . . . . ?
B9' B10' B11' B12' 37.4(2) . . . . ?
B9' B10' B12' B7' -100.5(3) . . . . ?
B9' B10' B12' B8' -37.3(2) . . . . ?
B9' B10' B12' B11' -137.8(2) . . . . ?
B10' B5' B6' C1' -134.9(2) . . . . ?
B10' B5' B6' C2' -98.4(2) . . . . ?
B10' B5' B6' B11' -38.3(2) . . . . ?
B10' B5' B9' B4' 138.4(3) . . . . ?
B10' B5' B9' B8' 101.4(3) . . . . ?
B10' B5' B9' B12' 37.2(2) . . . . ?
B10' B6' B11' C2' -133.1(3) . . . . ?
B10' B6' B11' B7' -100.5(3) . . . . ?
B10' B6' B11' B12' -36.7(2) . . . . ?
B10' B9' B12' B7' 101.1(3) . . . . ?
B10' B9' B12' B8' 138.2(2) . . . . ?
B10' B9' B12' B11' 37.7(2) . . . . ?
B10' B11' B12' B7' -138.4(3) . . . . ?
B10' B11' B12' B8' -100.9(3) . . . . ?
B10' B11' B12' B9' -37.6(2) . . . . ?
B11' C2' B3' C1' -103.9(3) . . . . ?
B11' C2' B3' B4' -67.0(3) . . . . ?
B11' C2' B3' B7' 36.5(2) . . . . ?
B11' C2' B3' B8' -4.2(3) . . . . ?
B11' C2' B6' C1' 140.0(2) . . . . ?
B11' C2' B6' B5' 102.6(3) . . . . ?
B11' C2' B6' B10' 40.8(2) . . . . ?
B11' C2' B7' B3' -142.8(2) . . . . ?
B11' C2' B7' B8' -103.0(3) . . . . ?
B11' C2' B7' B12' -40.4(2) . . . . ?
B11' B6' B10' B5' 137.2(2) . . . . ?
B11' B6' B10' B9' 99.8(3) . . . . ?
B11' B6' B10' B12' 36.5(2) . . . . ?
B11' B7' B8' B3' -100.0(3) . . . . ?
B11' B7' B8' B4' -62.6(3) . . . . ?
B11' B7' B8' B9' 0.8(3) . . . . ?
B11' B7' B8' B12' 37.7(2) . . . . ?
B11' B7' B12' B8' -137.8(2) . . . . ?
B11' B7' B12' B9' -100.7(3) . . . . ?
B11' B7' B12' B10' -37.3(2) . . . . ?
B11' B10' B12' B7' 37.3(2) . . . . ?
B11' B10' B12' B8' 100.5(3) . . . . ?
B11' B10' B12' B9' 137.8(2) . . . . ?
B12' B7' B8' B3' -137.7(2) . . . . ?
B12' B7' B8' B4' -100.2(3) . . . . ?
B12' B7' B8' B9' -36.8(2) . . . . ?
B12' B7' B11' C2' 133.3(2) . . . . ?
B12' B7' B11' B6' 100.5(3) . . . . ?
B12' B7' B11' B10' 37.4(2) . . . . ?
B12' B8' B9' B4' -138.3(3) . . . . ?
B12' B8' B9' B5' -101.1(3) . . . . ?
B12' B8' B9' B10' -37.7(2) . . . . ?
B12' B9' B10' B5' -138.6(2) . . . . ?
B12' B9' B10' B6' -101.0(3) . . . . ?
B12' B9' B10' B11' -37.3(2) . . . . ?
B12' B10' B11' C2' -98.7(2) . . . . ?
B12' B10' B11' B6' -139.1(3) . . . . ?
B12' B10' B11' B7' -37.3(2) . . . . ?

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

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.835(5)
2 0.165(5)

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

data_5478
_database_code_depnum_ccdc_archive 'CCDC 1492399'
_audit_update_record             
;
2016-07-12 deposited with the CCDC.
2016-08-18 downloaded from the CCDC.
;
_audit_creation_date             2016-05-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C10 H39 B19 Ni O6 P2'
_chemical_formula_sum            'C10 H39 B19 Ni O6 P2'
_chemical_formula_weight         581.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.2399(12)
_cell_length_b                   10.9998(13)
_cell_length_c                   13.1020(15)
_cell_angle_alpha                78.502(7)
_cell_angle_beta                 89.803(6)
_cell_angle_gamma                78.700(6)
_cell_volume                     1417.1(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7205
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      31.015
_cell_measurement_theta_min      2.623
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0691 before and 0.0503 after correction.
The Ratio of minimum to maximum transmission is 0.9231.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33480
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.088
_diffrn_reflns_theta_min         2.506
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6856
_reflns_number_total             8810
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         8810
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0376
_refine_ls_restrained_S_all      1.057
_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)+(0.0369P)²+0.1903P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0881
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H,H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H23D)=Sof(H23E)=Sof(H23F)=1-FVAR(1)
 Sof(H23A)=Sof(H23B)=Sof(H23C)=FVAR(1)
3.a Disordered Me refined with riding coordinates:
 C23(H23A,H23B,H23C,H23D,H23E,H23F)
3.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.22743(16) 0.21178(15) 0.79061(12) 0.0137(3) Uani 1 1 d . . . . .
P1 P 0.32948(4) 0.53904(4) 0.74041(3) 0.01252(9) Uani 1 1 d . . . . .
Ni2 Ni 0.36134(2) 0.34678(2) 0.82935(2) 0.01256(6) Uani 1 1 d . . . . .
P2 P 0.57371(4) 0.31340(4) 0.80419(3) 0.01324(9) Uani 1 1 d . . . . .
B3 B 0.37043(19) 0.15236(18) 0.86448(15) 0.0156(4) Uani 1 1 d . . . . .
H3 H 0.4561(18) 0.0920(17) 0.8393(14) 0.019 Uiso 1 1 d R . . . .
B4 B 0.2263(2) 0.07577(19) 0.87841(16) 0.0191(4) Uani 1 1 d . . . . .
H4 H 0.2384(19) -0.0197(18) 0.8594(15) 0.023 Uiso 1 1 d R . . . .
B5 B 0.0871(2) 0.20000(19) 0.85878(15) 0.0175(4) Uani 1 1 d . . . . .
H5 H 0.0003(19) 0.1949(17) 0.8196(15) 0.021 Uiso 1 1 d R . . . .
B6 B 0.15425(18) 0.34485(18) 0.83452(15) 0.0146(4) Uani 1 1 d . . . . .
H6 H 0.0951(18) 0.4192(17) 0.7811(14) 0.018 Uiso 1 1 d R . . . .
B7 B 0.3743(2) 0.2297(2) 0.97744(15) 0.0192(4) Uani 1 1 d . . . . .
H7 H 0.4658(19) 0.2092(18) 1.0239(15) 0.023 Uiso 1 1 d R . . . .
C8 C 0.31082(18) 0.09475(17) 0.98487(14) 0.0207(4) Uani 1 1 d . . . . .
H8 H 0.3630(19) 0.0130(18) 1.0290(15) 0.025 Uiso 1 1 d R . . . .
B9 B 0.1389(2) 0.1180(2) 0.98655(16) 0.0230(4) Uani 1 1 d . . . . .
H9 H 0.089(2) 0.0470(19) 1.0350(16) 0.028 Uiso 1 1 d R . . . .
B10 B 0.0909(2) 0.2875(2) 0.95907(15) 0.0184(4) Uani 1 1 d . . . . .
H10 H -0.0016(19) 0.3328(18) 0.9856(15) 0.022 Uiso 1 1 d R . . . .
B11 B 0.2347(2) 0.3547(2) 0.95831(15) 0.0189(4) Uani 1 1 d . . . . .
H11 H 0.2196(19) 0.4392(18) 0.9888(15) 0.023 Uiso 1 1 d R . . . .
C11 C 0.09855(18) 0.67550(18) 0.78304(15) 0.0250(4) Uani 1 1 d . . . . .
H11A H 0.0066 0.6999 0.7546 0.037 Uiso 1 1 calc GR . . . .
H11B H 0.1271 0.7498 0.7992 0.037 Uiso 1 1 calc GR . . . .
H11C H 0.1034 0.6104 0.8468 0.037 Uiso 1 1 calc GR . . . .
O11 O 0.18547(11) 0.62565(11) 0.70668(9) 0.0165(2) Uani 1 1 d . . . . .
B12 B 0.2263(2) 0.2105(2) 1.04575(16) 0.0226(4) Uani 1 1 d . . . . .
H12 H 0.230(2) 0.1920(18) 1.1302(16) 0.027 Uiso 1 1 d R . . . .
C12 C 0.4336(2) 0.73976(17) 0.74930(14) 0.0257(4) Uani 1 1 d . . . . .
H12A H 0.5013 0.7234 0.6980 0.039 Uiso 1 1 calc GR . . . .
H12B H 0.4685 0.7801 0.8007 0.039 Uiso 1 1 calc GR . . . .
H12C H 0.3535 0.7960 0.7138 0.039 Uiso 1 1 calc GR . . . .
O12 O 0.40049(12) 0.62154(11) 0.80145(9) 0.0163(2) Uani 1 1 d . . . . .
C13 C 0.34154(19) 0.63616(16) 0.53348(13) 0.0200(4) Uani 1 1 d . . . . .
H13A H 0.3914 0.6126 0.4740 0.030 Uiso 1 1 calc GR . . . .
H13B H 0.3532 0.7202 0.5412 0.030 Uiso 1 1 calc GR . . . .
H13C H 0.2467 0.6377 0.5216 0.030 Uiso 1 1 calc GR . . . .
O13 O 0.39092(11) 0.54403(10) 0.62785(8) 0.0144(2) Uani 1 1 d . . . . .
C21 C 0.76848(17) 0.44459(18) 0.75680(16) 0.0248(4) Uani 1 1 d . . . . .
H21A H 0.7922 0.4376 0.6854 0.037 Uiso 1 1 calc GR . . . .
H21B H 0.8228 0.3741 0.8060 0.037 Uiso 1 1 calc GR . . . .
H21C H 0.7849 0.5249 0.7702 0.037 Uiso 1 1 calc GR . . . .
O21 O 0.62860(12) 0.44034(11) 0.76981(10) 0.0224(3) Uani 1 1 d . . . . .
C22 C 0.69242(18) 0.29163(18) 0.98635(14) 0.0226(4) Uani 1 1 d . . . . .
H22A H 0.7691 0.3330 0.9738 0.034 Uiso 1 1 calc GR . . . .
H22B H 0.7094 0.2266 1.0504 0.034 Uiso 1 1 calc GR . . . .
H22C H 0.6127 0.3547 0.9936 0.034 Uiso 1 1 calc GR . . . .
O22 O 0.67166(11) 0.23305(10) 0.89890(9) 0.0145(2) Uani 1 1 d . . . . .
C23 C 0.73049(19) 0.12922(18) 0.72106(15) 0.0273(4) Uani 1 1 d . . . . .
H23A H 0.7303 0.0959 0.6570 0.033 Uiso 0.49(2) 1 calc R . P . .
H23B H 0.8122 0.1616 0.7266 0.033 Uiso 0.49(2) 1 calc R . P . .
H23C H 0.7265 0.0614 0.7815 0.033 Uiso 0.49(2) 1 calc R . P . .
H23D H 0.7824 0.1167 0.7863 0.033 Uiso 0.51(2) 1 calc R . P . .
H23E H 0.7005 0.0510 0.7168 0.033 Uiso 0.51(2) 1 calc R . P . .
H23F H 0.7862 0.1512 0.6619 0.033 Uiso 0.51(2) 1 calc R . P . .
O23 O 0.61579(12) 0.23074(13) 0.71828(9) 0.0229(3) Uani 1 1 d . . . . .
C1' C 0.21537(16) 0.20384(14) 0.67512(12) 0.0127(3) Uani 1 1 d . . . . .
C2' C 0.33919(16) 0.23667(15) 0.60004(12) 0.0128(3) Uani 1 1 d . . . . .
H2' H 0.4075(19) 0.2580(17) 0.6328(14) 0.015 Uiso 1 1 d R . . . .
B3' B 0.19260(18) 0.34625(16) 0.58326(14) 0.0127(3) Uani 1 1 d . . . . .
H3' H 0.1890(17) 0.4330(17) 0.6090(14) 0.015 Uiso 1 1 d R . . . .
B4' B 0.06797(19) 0.25339(17) 0.60066(15) 0.0152(4) Uani 1 1 d . . . . .
H4' H -0.0167(18) 0.2875(17) 0.6378(14) 0.018 Uiso 1 1 d R . . . .
B5' B 0.1473(2) 0.08987(18) 0.63206(16) 0.0170(4) Uani 1 1 d . . . . .
H5' H 0.1046(18) 0.0217(17) 0.6909(14) 0.020 Uiso 1 1 d R . . . .
B6' B 0.3227(2) 0.08136(17) 0.63412(15) 0.0164(4) Uani 1 1 d . . . . .
H6' H 0.3918(19) 0.0192(17) 0.6915(14) 0.020 Uiso 1 1 d R . . . .
B7' B 0.28890(19) 0.31020(18) 0.47582(14) 0.0145(4) Uani 1 1 d . . . . .
H7' H 0.3438(18) 0.3810(17) 0.4362(14) 0.017 Uiso 1 1 d R . . . .
B8' B 0.11304(19) 0.31954(18) 0.47254(15) 0.0150(4) Uani 1 1 d . . . . .
H8' H 0.0469(18) 0.3993(17) 0.4237(14) 0.018 Uiso 1 1 d R . . . .
B9' B 0.0840(2) 0.16090(19) 0.50240(16) 0.0185(4) Uani 1 1 d . . . . .
H9' H -0.0021(19) 0.1327(18) 0.4711(15) 0.022 Uiso 1 1 d R . . . .
B10' B 0.2428(2) 0.05412(18) 0.52378(16) 0.0176(4) Uani 1 1 d . . . . .
H10' H 0.2617(19) -0.0411(17) 0.5056(15) 0.021 Uiso 1 1 d R . . . .
B11' B 0.36826(19) 0.14771(17) 0.50663(15) 0.0163(4) Uani 1 1 d . . . . .
H11' H 0.4690(19) 0.1214(17) 0.4890(14) 0.020 Uiso 1 1 d R . . . .
B12' B 0.2213(2) 0.19594(18) 0.42470(15) 0.0166(4) Uani 1 1 d . . . . .
H12' H 0.2292(18) 0.1936(17) 0.3451(15) 0.020 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Ni2 2.3337(16) . ?
C1 B3 1.700(3) . ?
C1 B4 1.698(3) . ?
C1 B5 1.702(3) . ?
C1 B6 1.714(2) . ?
C1 C1' 1.540(2) . ?
P1 Ni2 2.1648(5) . ?
P1 O11 1.6011(12) . ?
P1 O12 1.5949(12) . ?
P1 O13 1.5964(12) . ?
Ni2 P2 2.1687(5) . ?
Ni2 B3 2.0794(19) . ?
Ni2 B6 2.1256(19) . ?
Ni2 B7 2.093(2) . ?
Ni2 B11 2.1314(19) . ?
P2 O21 1.5885(13) . ?
P2 O22 1.5972(12) . ?
P2 O23 1.5907(12) . ?
B3 H3 1.085(18) . ?
B3 B4 1.829(3) . ?
B3 B7 1.852(3) . ?
B3 C8 1.735(3) . ?
B4 H4 1.110(19) . ?
B4 B5 1.751(3) . ?
B4 C8 1.713(3) . ?
B4 B9 1.765(3) . ?
B5 H5 1.044(19) . ?
B5 B6 1.827(3) . ?
B5 B9 1.765(3) . ?
B5 B10 1.781(3) . ?
B6 H6 1.051(18) . ?
B6 B10 1.796(3) . ?
B6 B11 1.853(3) . ?
B7 H7 1.080(19) . ?
B7 C8 1.719(3) . ?
B7 B11 1.758(3) . ?
B7 B12 1.784(3) . ?
C8 H8 1.018(19) . ?
C8 B9 1.730(3) . ?
C8 B12 1.725(3) . ?
B9 H9 1.11(2) . ?
B9 B10 1.795(3) . ?
B9 B12 1.765(3) . ?
B10 H10 1.072(19) . ?
B10 B11 1.771(3) . ?
B10 B12 1.759(3) . ?
B11 H11 1.067(18) . ?
B11 B12 1.779(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 O11 1.4544(19) . ?
B12 H12 1.08(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 O12 1.446(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 O13 1.454(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 O21 1.451(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 O22 1.4569(19) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 H23D 0.9800 . ?
C23 H23E 0.9800 . ?
C23 H23F 0.9800 . ?
C23 O23 1.448(2) . ?
C1' C2' 1.654(2) . ?
C1' B3' 1.751(2) . ?
C1' B4' 1.733(2) . ?
C1' B5' 1.733(2) . ?
C1' B6' 1.737(2) . ?
C2' H2' 0.914(19) . ?
C2' B3' 1.715(2) . ?
C2' B6' 1.719(2) . ?
C2' B7' 1.699(2) . ?
C2' B11' 1.704(2) . ?
B3' H3' 1.068(17) . ?
B3' B4' 1.772(3) . ?
B3' B7' 1.781(3) . ?
B3' B8' 1.768(3) . ?
B4' H4' 1.036(18) . ?
B4' B5' 1.789(3) . ?
B4' B8' 1.789(3) . ?
B4' B9' 1.782(3) . ?
B5' H5' 1.115(19) . ?
B5' B6' 1.780(3) . ?
B5' B9' 1.788(3) . ?
B5' B10' 1.785(3) . ?
B6' H6' 1.069(19) . ?
B6' B10' 1.768(3) . ?
B6' B11' 1.784(3) . ?
B7' H7' 1.096(19) . ?
B7' B8' 1.784(3) . ?
B7' B11' 1.779(3) . ?
B7' B12' 1.785(3) . ?
B8' H8' 1.088(19) . ?
B8' B9' 1.794(3) . ?
B8' B12' 1.793(3) . ?
B9' H9' 1.096(19) . ?
B9' B10' 1.796(3) . ?
B9' B12' 1.791(3) . ?
B10' H10' 1.101(18) . ?
B10' B11' 1.785(3) . ?
B10' B12' 1.796(3) . ?
B11' H11' 1.053(19) . ?
B11' B12' 1.780(3) . ?
B12' H12' 1.051(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B3 C1 Ni2 59.62(8) . . ?
B3 C1 B5 113.41(13) . . ?
B3 C1 B6 105.39(12) . . ?
B4 C1 Ni2 118.07(10) . . ?
B4 C1 B3 65.13(11) . . ?
B4 C1 B5 61.99(11) . . ?
B4 C1 B6 113.11(13) . . ?
B5 C1 Ni2 118.73(10) . . ?
B5 C1 B6 64.66(11) . . ?
B6 C1 Ni2 61.10(8) . . ?
C1' C1 Ni2 116.28(11) . . ?
C1' C1 B3 122.99(13) . . ?
C1' C1 B4 115.89(13) . . ?
C1' C1 B5 114.91(13) . . ?
C1' C1 B6 121.43(13) . . ?
O11 P1 Ni2 123.99(5) . . ?
O12 P1 Ni2 108.85(5) . . ?
O12 P1 O11 104.07(6) . . ?
O12 P1 O13 108.61(7) . . ?
O13 P1 Ni2 111.23(4) . . ?
O13 P1 O11 99.01(6) . . ?
P1 Ni2 C1 118.85(4) . . ?
P1 Ni2 P2 92.920(19) . . ?
P2 Ni2 C1 121.85(4) . . ?
B3 Ni2 C1 44.86(7) . . ?
B3 Ni2 P1 159.78(5) . . ?
B3 Ni2 P2 89.64(6) . . ?
B3 Ni2 B6 80.45(8) . . ?
B3 Ni2 B7 52.71(8) . . ?
B3 Ni2 B11 86.09(8) . . ?
B6 Ni2 C1 44.91(6) . . ?
B6 Ni2 P1 93.33(6) . . ?
B6 Ni2 P2 166.55(5) . . ?
B6 Ni2 B11 51.62(7) . . ?
B7 Ni2 C1 82.94(7) . . ?
B7 Ni2 P1 146.46(6) . . ?
B7 Ni2 P2 96.07(6) . . ?
B7 Ni2 B6 85.19(8) . . ?
B7 Ni2 B11 49.17(8) . . ?
B11 Ni2 C1 82.72(7) . . ?
B11 Ni2 P1 105.20(6) . . ?
B11 Ni2 P2 137.24(6) . . ?
O21 P2 Ni2 113.07(5) . . ?
O21 P2 O22 104.30(7) . . ?
O21 P2 O23 106.96(7) . . ?
O22 P2 Ni2 117.94(5) . . ?
O23 P2 Ni2 113.16(5) . . ?
O23 P2 O22 100.04(6) . . ?
C1 B3 Ni2 75.52(9) . . ?
C1 B3 H3 123.3(10) . . ?
C1 B3 B4 57.37(10) . . ?
C1 B3 B7 111.46(13) . . ?
C1 B3 C8 102.17(13) . . ?
Ni2 B3 H3 117.8(10) . . ?
B4 B3 Ni2 125.24(12) . . ?
B4 B3 H3 111.1(10) . . ?
B4 B3 B7 106.86(13) . . ?
B7 B3 Ni2 64.01(9) . . ?
B7 B3 H3 124.1(10) . . ?
C8 B3 Ni2 115.23(11) . . ?
C8 B3 H3 116.1(10) . . ?
C8 B3 B4 57.38(11) . . ?
C8 B3 B7 57.16(10) . . ?
C1 B4 B3 57.50(10) . . ?
C1 B4 H4 125.1(10) . . ?
C1 B4 B5 59.14(11) . . ?
C1 B4 C8 103.19(13) . . ?
C1 B4 B9 107.23(14) . . ?
B3 B4 H4 117.7(10) . . ?
B5 B4 B3 105.20(14) . . ?
B5 B4 H4 129.4(10) . . ?
B5 B4 B9 60.26(12) . . ?
C8 B4 B3 58.54(11) . . ?
C8 B4 H4 119.4(10) . . ?
C8 B4 B5 104.92(14) . . ?
C8 B4 B9 59.62(11) . . ?
B9 B4 B3 107.56(14) . . ?
B9 B4 H4 123.2(10) . . ?
C1 B5 B4 58.87(11) . . ?
C1 B5 H5 119.2(11) . . ?
C1 B5 B6 57.98(10) . . ?
C1 B5 B9 107.03(14) . . ?
C1 B5 B10 106.30(13) . . ?
B4 B5 H5 121.9(10) . . ?
B4 B5 B6 105.40(13) . . ?
B4 B5 B9 60.27(12) . . ?
B4 B5 B10 108.01(14) . . ?
B6 B5 H5 121.0(11) . . ?
B9 B5 H5 125.1(11) . . ?
B9 B5 B6 107.48(14) . . ?
B9 B5 B10 60.82(12) . . ?
B10 B5 H5 124.3(10) . . ?
B10 B5 B6 59.66(11) . . ?
C1 B6 Ni2 73.99(8) . . ?
C1 B6 B5 57.36(10) . . ?
C1 B6 H6 118.0(10) . . ?
C1 B6 B10 105.18(13) . . ?
C1 B6 B11 111.75(13) . . ?
Ni2 B6 H6 113.8(11) . . ?
B5 B6 Ni2 123.68(11) . . ?
B5 B6 H6 113.2(10) . . ?
B5 B6 B11 107.29(13) . . ?
B10 B6 Ni2 117.06(12) . . ?
B10 B6 B5 58.90(11) . . ?
B10 B6 H6 119.9(10) . . ?
B10 B6 B11 58.05(11) . . ?
B11 B6 Ni2 64.35(8) . . ?
B11 B6 H6 127.3(10) . . ?
Ni2 B7 H7 119.6(11) . . ?
B3 B7 Ni2 63.27(8) . . ?
B3 B7 H7 118.1(10) . . ?
C8 B7 Ni2 115.28(12) . . ?
C8 B7 B3 57.97(10) . . ?
C8 B7 H7 110.3(10) . . ?
C8 B7 B11 105.25(14) . . ?
C8 B7 B12 58.94(11) . . ?
B11 B7 Ni2 66.56(9) . . ?
B11 B7 B3 105.50(13) . . ?
B11 B7 H7 133.7(10) . . ?
B11 B7 B12 60.29(12) . . ?
B12 B7 Ni2 119.94(13) . . ?
B12 B7 B3 106.02(14) . . ?
B12 B7 H7 116.7(10) . . ?
B3 C8 H8 118.6(11) . . ?
B4 C8 B3 64.08(11) . . ?
B4 C8 B7 118.97(14) . . ?
B4 C8 H8 114.7(11) . . ?
B4 C8 B9 61.69(11) . . ?
B4 C8 B12 113.87(14) . . ?
B7 C8 B3 64.87(11) . . ?
B7 C8 H8 117.7(11) . . ?
B7 C8 B9 114.75(15) . . ?
B7 C8 B12 62.41(12) . . ?
B9 C8 B3 113.65(14) . . ?
B9 C8 H8 117.0(12) . . ?
B12 C8 B3 114.24(14) . . ?
B12 C8 H8 119.2(11) . . ?
B12 C8 B9 61.45(12) . . ?
B4 B9 H9 118.1(10) . . ?
B4 B9 B10 106.78(14) . . ?
B5 B9 B4 59.47(11) . . ?
B5 B9 H9 125.2(11) . . ?
B5 B9 B10 60.05(12) . . ?
B5 B9 B12 108.90(15) . . ?
C8 B9 B4 58.68(11) . . ?
C8 B9 B5 103.62(14) . . ?
C8 B9 H9 120.9(10) . . ?
C8 B9 B10 102.21(14) . . ?
C8 B9 B12 59.14(11) . . ?
B10 B9 H9 128.9(10) . . ?
B12 B9 B4 109.38(15) . . ?
B12 B9 H9 120.4(10) . . ?
B12 B9 B10 59.22(12) . . ?
B5 B10 B6 61.44(11) . . ?
B5 B10 B9 59.13(11) . . ?
B5 B10 H10 118.7(10) . . ?
B6 B10 H10 122.4(11) . . ?
B9 B10 B6 107.56(13) . . ?
B9 B10 H10 120.3(11) . . ?
B11 B10 B5 113.10(13) . . ?
B11 B10 B6 62.61(11) . . ?
B11 B10 B9 109.61(14) . . ?
B11 B10 H10 120.8(10) . . ?
B12 B10 B5 108.39(14) . . ?
B12 B10 B6 108.70(14) . . ?
B12 B10 B9 59.52(12) . . ?
B12 B10 H10 121.9(10) . . ?
B12 B10 B11 60.51(12) . . ?
Ni2 B11 H11 117.1(11) . . ?
B6 B11 Ni2 64.03(8) . . ?
B6 B11 H11 123.0(10) . . ?
B7 B11 Ni2 64.27(9) . . ?
B7 B11 B6 104.46(12) . . ?
B7 B11 B10 107.51(15) . . ?
B7 B11 H11 128.1(11) . . ?
B7 B11 B12 60.59(12) . . ?
B10 B11 Ni2 117.91(11) . . ?
B10 B11 B6 59.34(10) . . ?
B10 B11 H11 113.7(11) . . ?
B10 B11 B12 59.41(12) . . ?
B12 B11 Ni2 118.20(12) . . ?
B12 B11 B6 105.34(13) . . ?
B12 B11 H11 117.8(11) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O11 C11 H11A 109.5 . . ?
O11 C11 H11B 109.5 . . ?
O11 C11 H11C 109.5 . . ?
C11 O11 P1 121.19(11) . . ?
B7 B12 H12 119.0(11) . . ?
C8 B12 B7 58.64(11) . . ?
C8 B12 B9 59.42(12) . . ?
C8 B12 B10 103.91(13) . . ?
C8 B12 B11 104.12(13) . . ?
C8 B12 H12 118.0(10) . . ?
B9 B12 B7 109.85(14) . . ?
B9 B12 B11 110.67(15) . . ?
B9 B12 H12 116.7(11) . . ?
B10 B12 B7 106.88(14) . . ?
B10 B12 B9 61.25(12) . . ?
B10 B12 B11 60.08(12) . . ?
B10 B12 H12 128.9(11) . . ?
B11 B12 B7 59.12(12) . . ?
B11 B12 H12 127.7(11) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O12 C12 H12A 109.5 . . ?
O12 C12 H12B 109.5 . . ?
O12 C12 H12C 109.5 . . ?
C12 O12 P1 121.62(11) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O13 C13 H13A 109.5 . . ?
O13 C13 H13B 109.5 . . ?
O13 C13 H13C 109.5 . . ?
C13 O13 P1 126.13(10) . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O21 C21 H21A 109.5 . . ?
O21 C21 H21B 109.5 . . ?
O21 C21 H21C 109.5 . . ?
C21 O21 P2 124.04(11) . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O22 C22 H22A 109.5 . . ?
O22 C22 H22B 109.5 . . ?
O22 C22 H22C 109.5 . . ?
C22 O22 P2 118.71(10) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23A C23 H23D 141.1 . . ?
H23A C23 H23E 56.3 . . ?
H23A C23 H23F 56.3 . . ?
H23B C23 H23C 109.5 . . ?
H23B C23 H23D 56.3 . . ?
H23B C23 H23E 141.1 . . ?
H23B C23 H23F 56.3 . . ?
H23C C23 H23D 56.3 . . ?
H23C C23 H23E 56.3 . . ?
H23C C23 H23F 141.1 . . ?
H23D C23 H23E 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
O23 C23 H23A 109.5 . . ?
O23 C23 H23B 109.5 . . ?
O23 C23 H23C 109.5 . . ?
O23 C23 H23D 109.5 . . ?
O23 C23 H23E 109.5 . . ?
O23 C23 H23F 109.5 . . ?
C23 O23 P2 127.93(11) . . ?
C1 C1' C2' 117.40(13) . . ?
C1 C1' B3' 117.14(12) . . ?
C1 C1' B4' 123.91(13) . . ?
C1 C1' B5' 123.78(13) . . ?
C1 C1' B6' 117.12(13) . . ?
C2' C1' B3' 60.43(10) . . ?
C2' C1' B4' 108.40(12) . . ?
C2' C1' B5' 109.08(12) . . ?
C2' C1' B6' 60.87(10) . . ?
B4' C1' B3' 61.15(10) . . ?
B4' C1' B6' 112.48(12) . . ?
B5' C1' B3' 112.30(12) . . ?
B5' C1' B4' 62.14(10) . . ?
B5' C1' B6' 61.73(10) . . ?
B6' C1' B3' 112.64(12) . . ?
C1' C2' H2' 115.1(12) . . ?
C1' C2' B3' 62.58(10) . . ?
C1' C2' B6' 61.94(10) . . ?
C1' C2' B7' 113.58(13) . . ?
C1' C2' B11' 113.05(13) . . ?
B3' C2' H2' 115.5(11) . . ?
B3' C2' B6' 115.33(13) . . ?
B6' C2' H2' 116.2(12) . . ?
B7' C2' H2' 120.7(12) . . ?
B7' C2' B3' 62.87(10) . . ?
B7' C2' B6' 115.34(13) . . ?
B7' C2' B11' 63.02(10) . . ?
B11' C2' H2' 121.4(11) . . ?
B11' C2' B3' 115.19(13) . . ?
B11' C2' B6' 62.82(11) . . ?
C1' B3' H3' 119.5(10) . . ?
C1' B3' B4' 58.93(10) . . ?
C1' B3' B7' 105.18(12) . . ?
C1' B3' B8' 106.15(12) . . ?
C2' B3' C1' 56.99(9) . . ?
C2' B3' H3' 118.7(10) . . ?
C2' B3' B4' 103.95(12) . . ?
C2' B3' B7' 58.11(10) . . ?
C2' B3' B8' 104.40(12) . . ?
B4' B3' H3' 125.9(10) . . ?
B4' B3' B7' 108.42(12) . . ?
B7' B3' H3' 121.6(10) . . ?
B8' B3' H3' 128.9(10) . . ?
B8' B3' B4' 60.69(11) . . ?
B8' B3' B7' 60.35(10) . . ?
C1' B4' B3' 59.91(10) . . ?
C1' B4' H4' 117.0(10) . . ?
C1' B4' B5' 58.93(10) . . ?
C1' B4' B8' 106.01(13) . . ?
C1' B4' B9' 105.72(12) . . ?
B3' B4' H4' 116.9(10) . . ?
B3' B4' B5' 108.67(13) . . ?
B3' B4' B8' 59.54(11) . . ?
B3' B4' B9' 108.07(13) . . ?
B5' B4' H4' 121.1(11) . . ?
B8' B4' H4' 125.8(11) . . ?
B8' B4' B5' 108.48(13) . . ?
B9' B4' H4' 128.8(10) . . ?
B9' B4' B5' 60.10(11) . . ?
B9' B4' B8' 60.31(11) . . ?
C1' B5' B4' 58.93(10) . . ?
C1' B5' H5' 118.1(9) . . ?
C1' B5' B6' 59.24(10) . . ?
C1' B5' B9' 105.45(13) . . ?
C1' B5' B10' 105.49(13) . . ?
B4' B5' H5' 120.4(9) . . ?
B6' B5' B4' 107.85(13) . . ?
B6' B5' H5' 119.0(10) . . ?
B6' B5' B9' 107.77(14) . . ?
B6' B5' B10' 59.48(11) . . ?
B9' B5' B4' 59.76(11) . . ?
B9' B5' H5' 127.4(10) . . ?
B10' B5' B4' 107.96(14) . . ?
B10' B5' H5' 126.4(9) . . ?
B10' B5' B9' 60.35(11) . . ?
C1' B6' B5' 59.03(10) . . ?
C1' B6' H6' 116.7(10) . . ?
C1' B6' B10' 106.04(13) . . ?
C1' B6' B11' 105.42(13) . . ?
C2' B6' C1' 57.18(9) . . ?
C2' B6' B5' 104.08(13) . . ?
C2' B6' H6' 117.7(10) . . ?
C2' B6' B10' 104.35(13) . . ?
C2' B6' B11' 58.19(10) . . ?
B5' B6' H6' 124.9(10) . . ?
B5' B6' B11' 108.31(14) . . ?
B10' B6' B5' 60.40(11) . . ?
B10' B6' H6' 131.3(10) . . ?
B10' B6' B11' 60.32(11) . . ?
B11' B6' H6' 123.5(10) . . ?
C2' B7' B3' 59.02(10) . . ?
C2' B7' H7' 117.4(10) . . ?
C2' B7' B8' 104.42(13) . . ?
C2' B7' B11' 58.64(10) . . ?
C2' B7' B12' 104.35(13) . . ?
B3' B7' H7' 117.5(9) . . ?
B3' B7' B8' 59.48(10) . . ?
B3' B7' B12' 107.90(14) . . ?
B8' B7' H7' 127.4(10) . . ?
B8' B7' B12' 60.33(10) . . ?
B11' B7' B3' 108.42(13) . . ?
B11' B7' H7' 119.9(9) . . ?
B11' B7' B8' 108.30(14) . . ?
B11' B7' B12' 59.93(11) . . ?
B12' B7' H7' 129.2(9) . . ?
B3' B8' B4' 59.76(10) . . ?
B3' B8' B7' 60.18(10) . . ?
B3' B8' H8' 118.2(9) . . ?
B3' B8' B9' 107.73(13) . . ?
B3' B8' B12' 108.09(13) . . ?
B4' B8' H8' 120.9(10) . . ?
B4' B8' B9' 59.66(11) . . ?
B4' B8' B12' 107.54(13) . . ?
B7' B8' B4' 107.55(13) . . ?
B7' B8' H8' 120.9(10) . . ?
B7' B8' B9' 107.65(13) . . ?
B7' B8' B12' 59.87(10) . . ?
B9' B8' H8' 124.6(10) . . ?
B12' B8' H8' 124.6(9) . . ?
B12' B8' B9' 59.93(11) . . ?
B4' B9' B5' 60.14(10) . . ?
B4' B9' B8' 60.03(10) . . ?
B4' B9' H9' 121.9(10) . . ?
B4' B9' B10' 107.77(13) . . ?
B4' B9' B12' 107.92(13) . . ?
B5' B9' B8' 108.29(13) . . ?
B5' B9' H9' 119.9(10) . . ?
B5' B9' B10' 59.73(11) . . ?
B5' B9' B12' 108.01(14) . . ?
B8' B9' H9' 123.4(10) . . ?
B8' B9' B10' 108.11(14) . . ?
B10' B9' H9' 120.7(10) . . ?
B12' B9' B8' 60.03(11) . . ?
B12' B9' H9' 122.7(10) . . ?
B12' B9' B10' 60.11(11) . . ?
B5' B10' B9' 59.92(11) . . ?
B5' B10' H10' 121.9(10) . . ?
B5' B10' B11' 108.06(12) . . ?
B5' B10' B12' 107.93(13) . . ?
B6' B10' B5' 60.13(11) . . ?
B6' B10' B9' 107.94(12) . . ?
B6' B10' H10' 120.0(10) . . ?
B6' B10' B11' 60.28(11) . . ?
B6' B10' B12' 108.05(13) . . ?
B9' B10' H10' 123.7(10) . . ?
B9' B10' B12' 59.83(11) . . ?
B11' B10' B9' 107.42(13) . . ?
B11' B10' H10' 120.7(10) . . ?
B11' B10' B12' 59.60(11) . . ?
B12' B10' H10' 122.6(10) . . ?
C2' B11' B6' 58.99(10) . . ?
C2' B11' B7' 58.34(9) . . ?
C2' B11' B10' 104.26(13) . . ?
C2' B11' H11' 115.4(10) . . ?
C2' B11' B12' 104.34(12) . . ?
B6' B11' B10' 59.40(11) . . ?
B6' B11' H11' 116.3(10) . . ?
B7' B11' B6' 108.31(12) . . ?
B7' B11' B10' 108.53(13) . . ?
B7' B11' H11' 119.3(10) . . ?
B7' B11' B12' 60.22(10) . . ?
B10' B11' H11' 128.8(10) . . ?
B12' B11' B6' 108.09(14) . . ?
B12' B11' B10' 60.52(11) . . ?
B12' B11' H11' 131.0(10) . . ?
B7' B12' B8' 59.80(10) . . ?
B7' B12' B9' 107.68(12) . . ?
B7' B12' B10' 107.72(13) . . ?
B7' B12' H12' 119.6(10) . . ?
B8' B12' B10' 108.09(13) . . ?
B8' B12' H12' 123.2(10) . . ?
B9' B12' B8' 60.05(11) . . ?
B9' B12' B10' 60.07(11) . . ?
B9' B12' H12' 125.1(10) . . ?
B10' B12' H12' 122.1(10) . . ?
B11' B12' B7' 59.85(10) . . ?
B11' B12' B8' 107.82(12) . . ?
B11' B12' B9' 107.82(14) . . ?
B11' B12' B10' 59.87(11) . . ?
B11' B12' H12' 118.8(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 B3 B4 B5 -36.55(12) . . . . ?
C1 B3 B4 C8 -134.99(14) . . . . ?
C1 B3 B4 B9 -99.60(15) . . . . ?
C1 B3 B7 Ni2 -60.62(11) . . . . ?
C1 B3 B7 C8 90.91(15) . . . . ?
C1 B3 B7 B11 -7.63(18) . . . . ?
C1 B3 B7 B12 55.28(18) . . . . ?
C1 B3 C8 B4 37.54(12) . . . . ?
C1 B3 C8 B7 -107.83(13) . . . . ?
C1 B3 C8 B9 -0.42(17) . . . . ?
C1 B3 C8 B12 -68.39(16) . . . . ?
C1 B4 B5 B6 -36.01(11) . . . . ?
C1 B4 B5 B9 -137.63(14) . . . . ?
C1 B4 B5 B10 -98.53(14) . . . . ?
C1 B4 C8 B3 -37.78(12) . . . . ?
C1 B4 C8 B7 -1.8(2) . . . . ?
C1 B4 C8 B9 102.43(15) . . . . ?
C1 B4 C8 B12 68.73(17) . . . . ?
C1 B4 B9 B5 37.28(13) . . . . ?
C1 B4 B9 C8 -95.46(14) . . . . ?
C1 B4 B9 B10 -1.16(18) . . . . ?
C1 B4 B9 B12 -63.75(18) . . . . ?
C1 B5 B6 Ni2 -34.87(12) . . . . ?
C1 B5 B6 B10 -138.55(14) . . . . ?
C1 B5 B6 B11 -105.16(14) . . . . ?
C1 B5 B9 B4 -37.11(13) . . . . ?
C1 B5 B9 C8 3.10(18) . . . . ?
C1 B5 B9 B10 99.50(14) . . . . ?
C1 B5 B9 B12 64.74(17) . . . . ?
C1 B5 B10 B6 35.78(13) . . . . ?
C1 B5 B10 B9 -100.73(15) . . . . ?
C1 B5 B10 B11 -0.93(19) . . . . ?
C1 B5 B10 B12 -65.96(17) . . . . ?
C1 B6 B10 B5 -35.28(12) . . . . ?
C1 B6 B10 B9 3.01(17) . . . . ?
C1 B6 B10 B11 106.46(14) . . . . ?
C1 B6 B10 B12 65.97(16) . . . . ?
C1 B6 B11 Ni2 58.60(11) . . . . ?
C1 B6 B11 B7 7.23(18) . . . . ?
C1 B6 B11 B10 -94.79(15) . . . . ?
C1 B6 B11 B12 -55.69(17) . . . . ?
C1 C1' C2' B3' -107.25(14) . . . . ?
C1 C1' C2' B6' 107.39(15) . . . . ?
C1 C1' C2' B7' -145.36(13) . . . . ?
C1 C1' C2' B11' 145.27(14) . . . . ?
C1 C1' B3' C2' 107.69(15) . . . . ?
C1 C1' B3' B4' -115.69(15) . . . . ?
C1 C1' B3' B7' 141.68(14) . . . . ?
C1 C1' B3' B8' -155.39(13) . . . . ?
C1 C1' B4' B3' 104.90(16) . . . . ?
C1 C1' B4' B5' -113.73(17) . . . . ?
C1 C1' B4' B8' 144.03(14) . . . . ?
C1 C1' B4' B9' -153.01(15) . . . . ?
C1 C1' B5' B4' 113.94(16) . . . . ?
C1 C1' B5' B6' -105.25(16) . . . . ?
C1 C1' B5' B9' 152.99(14) . . . . ?
C1 C1' B5' B10' -144.14(15) . . . . ?
C1 C1' B6' C2' -107.85(15) . . . . ?
C1 C1' B6' B5' 115.71(16) . . . . ?
C1 C1' B6' B10' 155.17(14) . . . . ?
C1 C1' B6' B11' -141.90(14) . . . . ?
Ni2 C1 B3 B4 150.80(11) . . . . ?
Ni2 C1 B3 B7 54.00(11) . . . . ?
Ni2 C1 B3 C8 113.25(11) . . . . ?
Ni2 C1 B4 B3 -28.49(11) . . . . ?
Ni2 C1 B4 B5 109.48(12) . . . . ?
Ni2 C1 B4 C8 9.80(16) . . . . ?
Ni2 C1 B4 B9 71.70(15) . . . . ?
Ni2 C1 B5 B4 -108.43(13) . . . . ?
Ni2 C1 B5 B6 29.62(11) . . . . ?
Ni2 C1 B5 B9 -70.69(15) . . . . ?
Ni2 C1 B5 B10 -6.91(17) . . . . ?
Ni2 C1 B6 B5 -150.33(11) . . . . ?
Ni2 C1 B6 B10 -114.36(12) . . . . ?
Ni2 C1 B6 B11 -53.18(11) . . . . ?
Ni2 C1 C1' C2' 25.60(17) . . . . ?
Ni2 C1 C1' B3' -43.37(16) . . . . ?
Ni2 C1 C1' B4' -115.39(14) . . . . ?
Ni2 C1 C1' B5' 167.77(11) . . . . ?
Ni2 C1 C1' B6' 95.08(14) . . . . ?
Ni2 P1 O11 C11 70.79(13) . . . . ?
Ni2 P1 O12 C12 160.14(12) . . . . ?
Ni2 P1 O13 C13 149.82(11) . . . . ?
Ni2 P2 O21 C21 174.50(12) . . . . ?
Ni2 P2 O22 C22 -72.86(12) . . . . ?
Ni2 P2 O23 C23 -138.35(14) . . . . ?
Ni2 B3 B4 C1 35.34(13) . . . . ?
Ni2 B3 B4 B5 -1.22(19) . . . . ?
Ni2 B3 B4 C8 -99.65(15) . . . . ?
Ni2 B3 B4 B9 -64.27(18) . . . . ?
Ni2 B3 B7 C8 151.53(12) . . . . ?
Ni2 B3 B7 B11 53.00(11) . . . . ?
Ni2 B3 B7 B12 115.90(14) . . . . ?
Ni2 B3 C8 B4 117.10(14) . . . . ?
Ni2 B3 C8 B7 -28.27(12) . . . . ?
Ni2 B3 C8 B9 79.15(16) . . . . ?
Ni2 B3 C8 B12 11.17(18) . . . . ?
Ni2 B6 B10 B5 -114.77(13) . . . . ?
Ni2 B6 B10 B9 -76.49(15) . . . . ?
Ni2 B6 B10 B11 26.96(12) . . . . ?
Ni2 B6 B10 B12 -13.52(17) . . . . ?
Ni2 B6 B11 B7 -51.37(11) . . . . ?
Ni2 B6 B11 B10 -153.39(12) . . . . ?
Ni2 B6 B11 B12 -114.29(12) . . . . ?
Ni2 B7 C8 B3 28.09(12) . . . . ?
Ni2 B7 C8 B4 -7.7(2) . . . . ?
Ni2 B7 C8 B9 -77.68(17) . . . . ?
Ni2 B7 C8 B12 -111.10(15) . . . . ?
Ni2 B7 B11 B6 51.22(10) . . . . ?
Ni2 B7 B11 B10 113.13(12) . . . . ?
Ni2 B7 B11 B12 150.90(12) . . . . ?
Ni2 B7 B12 C8 103.21(14) . . . . ?
Ni2 B7 B12 B9 71.80(19) . . . . ?
Ni2 B7 B12 B10 6.94(19) . . . . ?
Ni2 B7 B12 B11 -30.99(12) . . . . ?
Ni2 B11 B12 B7 29.80(12) . . . . ?
Ni2 B11 B12 C8 -9.34(18) . . . . ?
Ni2 B11 B12 B9 -71.58(18) . . . . ?
Ni2 B11 B12 B10 -107.46(14) . . . . ?
B3 C1 B4 B5 137.97(13) . . . . ?
B3 C1 B4 C8 38.29(12) . . . . ?
B3 C1 B4 B9 100.19(14) . . . . ?
B3 C1 B5 B4 -41.45(13) . . . . ?
B3 C1 B5 B6 96.60(14) . . . . ?
B3 C1 B5 B9 -3.71(18) . . . . ?
B3 C1 B5 B10 60.07(17) . . . . ?
B3 C1 B6 Ni2 41.32(10) . . . . ?
B3 C1 B6 B5 -109.01(14) . . . . ?
B3 C1 B6 B10 -73.04(15) . . . . ?
B3 C1 B6 B11 -11.86(17) . . . . ?
B3 C1 C1' C2' -43.8(2) . . . . ?
B3 C1 C1' B3' -112.76(16) . . . . ?
B3 C1 C1' B4' 175.22(14) . . . . ?
B3 C1 C1' B5' 98.38(18) . . . . ?
B3 C1 C1' B6' 25.7(2) . . . . ?
B3 B4 B5 C1 35.82(11) . . . . ?
B3 B4 B5 B6 -0.19(16) . . . . ?
B3 B4 B5 B9 -101.82(14) . . . . ?
B3 B4 B5 B10 -62.72(16) . . . . ?
B3 B4 C8 B7 36.02(15) . . . . ?
B3 B4 C8 B9 140.21(15) . . . . ?
B3 B4 C8 B12 106.51(16) . . . . ?
B3 B4 B9 B5 97.81(15) . . . . ?
B3 B4 B9 C8 -34.93(13) . . . . ?
B3 B4 B9 B10 59.37(17) . . . . ?
B3 B4 B9 B12 -3.2(2) . . . . ?
B3 B7 C8 B4 -35.74(15) . . . . ?
B3 B7 C8 B9 -105.77(15) . . . . ?
B3 B7 C8 B12 -139.18(14) . . . . ?
B3 B7 B11 Ni2 -51.02(10) . . . . ?
B3 B7 B11 B6 0.20(17) . . . . ?
B3 B7 B11 B10 62.10(16) . . . . ?
B3 B7 B11 B12 99.88(14) . . . . ?
B3 B7 B12 C8 35.21(13) . . . . ?
B3 B7 B12 B9 3.8(2) . . . . ?
B3 B7 B12 B10 -61.06(17) . . . . ?
B3 B7 B12 B11 -98.99(14) . . . . ?
B3 C8 B9 B4 38.93(14) . . . . ?
B3 C8 B9 B5 -1.69(19) . . . . ?
B3 C8 B9 B10 -63.44(17) . . . . ?
B3 C8 B9 B12 -105.78(16) . . . . ?
B3 C8 B12 B7 -40.47(14) . . . . ?
B3 C8 B12 B9 104.83(16) . . . . ?
B3 C8 B12 B10 61.04(18) . . . . ?
B3 C8 B12 B11 -1.08(19) . . . . ?
B4 C1 B3 Ni2 -150.80(11) . . . . ?
B4 C1 B3 B7 -96.79(15) . . . . ?
B4 C1 B3 C8 -37.55(12) . . . . ?
B4 C1 B5 B6 138.05(13) . . . . ?
B4 C1 B5 B9 37.73(13) . . . . ?
B4 C1 B5 B10 101.52(15) . . . . ?
B4 C1 B6 Ni2 110.41(12) . . . . ?
B4 C1 B6 B5 -39.92(13) . . . . ?
B4 C1 B6 B10 -3.95(17) . . . . ?
B4 C1 B6 B11 57.23(17) . . . . ?
B4 C1 C1' C2' -119.77(15) . . . . ?
B4 C1 C1' B3' 171.26(13) . . . . ?
B4 C1 C1' B4' 99.24(17) . . . . ?
B4 C1 C1' B5' 22.4(2) . . . . ?
B4 C1 C1' B6' -50.29(19) . . . . ?
B4 B3 B7 Ni2 -121.53(12) . . . . ?
B4 B3 B7 C8 30.00(12) . . . . ?
B4 B3 B7 B11 -68.53(16) . . . . ?
B4 B3 B7 B12 -5.63(18) . . . . ?
B4 B3 C8 B7 -145.38(14) . . . . ?
B4 B3 C8 B9 -37.96(14) . . . . ?
B4 B3 C8 B12 -105.93(16) . . . . ?
B4 B5 B6 C1 36.41(12) . . . . ?
B4 B5 B6 Ni2 1.54(18) . . . . ?
B4 B5 B6 B10 -102.14(15) . . . . ?
B4 B5 B6 B11 -68.75(15) . . . . ?
B4 B5 B9 C8 40.21(13) . . . . ?
B4 B5 B9 B10 136.61(14) . . . . ?
B4 B5 B9 B12 101.85(16) . . . . ?
B4 B5 B10 B6 97.66(15) . . . . ?
B4 B5 B10 B9 -38.85(14) . . . . ?
B4 B5 B10 B11 60.95(19) . . . . ?
B4 B5 B10 B12 -4.08(19) . . . . ?
B4 C8 B9 B5 -40.61(13) . . . . ?
B4 C8 B9 B10 -102.37(14) . . . . ?
B4 C8 B9 B12 -144.71(15) . . . . ?
B4 C8 B12 B7 -111.50(16) . . . . ?
B4 C8 B12 B9 33.79(15) . . . . ?
B4 C8 B12 B10 -10.00(19) . . . . ?
B4 C8 B12 B11 -72.12(17) . . . . ?
B4 B9 B10 B5 38.18(13) . . . . ?
B4 B9 B10 B6 -1.17(18) . . . . ?
B4 B9 B10 B11 -67.62(17) . . . . ?
B4 B9 B10 B12 -102.93(15) . . . . ?
B4 B9 B12 B7 -0.4(2) . . . . ?
B4 B9 B12 C8 -31.55(14) . . . . ?
B4 B9 B12 B10 98.44(16) . . . . ?
B4 B9 B12 B11 63.03(19) . . . . ?
B5 C1 B3 Ni2 -110.69(12) . . . . ?
B5 C1 B3 B4 40.10(13) . . . . ?
B5 C1 B3 B7 -56.69(17) . . . . ?
B5 C1 B3 C8 2.56(16) . . . . ?
B5 C1 B4 B3 -137.97(13) . . . . ?
B5 C1 B4 C8 -99.67(14) . . . . ?
B5 C1 B4 B9 -37.78(13) . . . . ?
B5 C1 B6 Ni2 150.33(11) . . . . ?
B5 C1 B6 B10 35.97(13) . . . . ?
B5 C1 B6 B11 97.15(15) . . . . ?
B5 C1 C1' C2' 170.73(13) . . . . ?
B5 C1 C1' B3' 101.76(16) . . . . ?
B5 C1 C1' B4' 29.7(2) . . . . ?
B5 C1 C1' B5' -47.1(2) . . . . ?
B5 C1 C1' B6' -119.79(15) . . . . ?
B5 B4 C8 B3 -98.92(14) . . . . ?
B5 B4 C8 B7 -62.90(19) . . . . ?
B5 B4 C8 B9 41.30(14) . . . . ?
B5 B4 C8 B12 7.59(19) . . . . ?
B5 B4 B9 C8 -132.74(15) . . . . ?
B5 B4 B9 B10 -38.44(13) . . . . ?
B5 B4 B9 B12 -101.02(17) . . . . ?
B5 B6 B10 B9 38.29(13) . . . . ?
B5 B6 B10 B11 141.74(14) . . . . ?
B5 B6 B10 B12 101.25(15) . . . . ?
B5 B6 B11 Ni2 119.65(12) . . . . ?
B5 B6 B11 B7 68.29(16) . . . . ?
B5 B6 B11 B10 -33.74(12) . . . . ?
B5 B6 B11 B12 5.36(16) . . . . ?
B5 B9 B10 B6 -39.35(13) . . . . ?
B5 B9 B10 B11 -105.80(15) . . . . ?
B5 B9 B10 B12 -141.11(15) . . . . ?
B5 B9 B12 B7 -63.76(19) . . . . ?
B5 B9 B12 C8 -94.89(15) . . . . ?
B5 B9 B12 B10 35.10(14) . . . . ?
B5 B9 B12 B11 -0.3(2) . . . . ?
B5 B10 B11 Ni2 9.1(2) . . . . ?
B5 B10 B11 B6 36.25(13) . . . . ?
B5 B10 B11 B7 -60.49(18) . . . . ?
B5 B10 B11 B12 -98.79(16) . . . . ?
B5 B10 B12 B7 69.18(17) . . . . ?
B5 B10 B12 C8 8.20(18) . . . . ?
B5 B10 B12 B9 -34.60(14) . . . . ?
B5 B10 B12 B11 106.68(15) . . . . ?
B6 C1 B3 Ni2 -42.07(11) . . . . ?
B6 C1 B3 B4 108.73(14) . . . . ?
B6 C1 B3 B7 11.93(17) . . . . ?
B6 C1 B3 C8 71.18(14) . . . . ?
B6 C1 B4 B3 -96.90(14) . . . . ?
B6 C1 B4 B5 41.06(13) . . . . ?
B6 C1 B4 C8 -58.61(17) . . . . ?
B6 C1 B4 B9 3.29(18) . . . . ?
B6 C1 B5 B4 -138.05(13) . . . . ?
B6 C1 B5 B9 -100.31(15) . . . . ?
B6 C1 B5 B10 -36.53(13) . . . . ?
B6 C1 C1' C2' 96.34(17) . . . . ?
B6 C1 C1' B3' 27.4(2) . . . . ?
B6 C1 C1' B4' -44.6(2) . . . . ?
B6 C1 C1' B5' -121.49(16) . . . . ?
B6 C1 C1' B6' 165.82(14) . . . . ?
B6 B5 B9 B4 -98.10(14) . . . . ?
B6 B5 B9 C8 -57.89(17) . . . . ?
B6 B5 B9 B10 38.51(13) . . . . ?
B6 B5 B9 B12 3.75(19) . . . . ?
B6 B5 B10 B9 -136.51(14) . . . . ?
B6 B5 B10 B11 -36.71(14) . . . . ?
B6 B5 B10 B12 -101.75(15) . . . . ?
B6 B10 B11 Ni2 -27.11(12) . . . . ?
B6 B10 B11 B7 -96.74(14) . . . . ?
B6 B10 B11 B12 -135.05(13) . . . . ?
B6 B10 B12 B7 3.98(18) . . . . ?
B6 B10 B12 C8 -57.00(17) . . . . ?
B6 B10 B12 B9 -99.81(14) . . . . ?
B6 B10 B12 B11 41.47(13) . . . . ?
B6 B11 B12 B7 98.20(13) . . . . ?
B6 B11 B12 C8 59.05(16) . . . . ?
B6 B11 B12 B9 -3.18(18) . . . . ?
B6 B11 B12 B10 -39.06(12) . . . . ?
B7 B3 B4 C1 105.06(13) . . . . ?
B7 B3 B4 B5 68.51(16) . . . . ?
B7 B3 B4 C8 -29.92(12) . . . . ?
B7 B3 B4 B9 5.46(18) . . . . ?
B7 B3 C8 B4 145.38(14) . . . . ?
B7 B3 C8 B9 107.42(16) . . . . ?
B7 B3 C8 B12 39.45(14) . . . . ?
B7 C8 B9 B4 110.95(16) . . . . ?
B7 C8 B9 B5 70.34(17) . . . . ?
B7 C8 B9 B10 8.58(18) . . . . ?
B7 C8 B9 B12 -33.76(14) . . . . ?
B7 C8 B12 B9 145.29(15) . . . . ?
B7 C8 B12 B10 101.50(15) . . . . ?
B7 C8 B12 B11 39.38(13) . . . . ?
B7 B11 B12 C8 -39.15(12) . . . . ?
B7 B11 B12 B9 -101.38(16) . . . . ?
B7 B11 B12 B10 -137.26(14) . . . . ?
C8 B3 B4 C1 134.99(14) . . . . ?
C8 B3 B4 B5 98.43(14) . . . . ?
C8 B3 B4 B9 35.38(13) . . . . ?
C8 B3 B7 Ni2 -151.53(12) . . . . ?
C8 B3 B7 B11 -98.54(15) . . . . ?
C8 B3 B7 B12 -35.63(13) . . . . ?
C8 B4 B5 C1 96.66(14) . . . . ?
C8 B4 B5 B6 60.65(16) . . . . ?
C8 B4 B5 B9 -40.98(13) . . . . ?
C8 B4 B5 B10 -1.88(18) . . . . ?
C8 B4 B9 B5 132.74(15) . . . . ?
C8 B4 B9 B10 94.30(15) . . . . ?
C8 B4 B9 B12 31.72(14) . . . . ?
C8 B7 B11 Ni2 -111.36(12) . . . . ?
C8 B7 B11 B6 -60.14(16) . . . . ?
C8 B7 B11 B10 1.76(17) . . . . ?
C8 B7 B11 B12 39.54(12) . . . . ?
C8 B7 B12 B9 -31.41(14) . . . . ?
C8 B7 B12 B10 -96.27(15) . . . . ?
C8 B7 B12 B11 -134.20(14) . . . . ?
C8 B9 B10 B5 98.82(14) . . . . ?
C8 B9 B10 B6 59.47(16) . . . . ?
C8 B9 B10 B11 -6.98(17) . . . . ?
C8 B9 B10 B12 -42.29(12) . . . . ?
C8 B9 B12 B7 31.13(14) . . . . ?
C8 B9 B12 B10 129.99(14) . . . . ?
C8 B9 B12 B11 94.58(15) . . . . ?
B9 B4 B5 C1 137.63(14) . . . . ?
B9 B4 B5 B6 101.62(14) . . . . ?
B9 B4 B5 B10 39.10(14) . . . . ?
B9 B4 C8 B3 -140.21(15) . . . . ?
B9 B4 C8 B7 -104.20(17) . . . . ?
B9 B4 C8 B12 -33.70(15) . . . . ?
B9 B5 B6 C1 99.50(15) . . . . ?
B9 B5 B6 Ni2 64.63(17) . . . . ?
B9 B5 B6 B10 -39.05(13) . . . . ?
B9 B5 B6 B11 -5.66(17) . . . . ?
B9 B5 B10 B6 136.51(14) . . . . ?
B9 B5 B10 B11 99.80(16) . . . . ?
B9 B5 B10 B12 34.76(14) . . . . ?
B9 C8 B12 B7 -145.29(15) . . . . ?
B9 C8 B12 B10 -43.79(13) . . . . ?
B9 C8 B12 B11 -105.91(15) . . . . ?
B9 B10 B11 Ni2 73.03(17) . . . . ?
B9 B10 B11 B6 100.14(14) . . . . ?
B9 B10 B11 B7 3.40(18) . . . . ?
B9 B10 B11 B12 -34.91(13) . . . . ?
B9 B10 B12 B7 103.79(15) . . . . ?
B9 B10 B12 C8 42.81(13) . . . . ?
B9 B10 B12 B11 141.28(14) . . . . ?
B10 B5 B6 C1 138.55(14) . . . . ?
B10 B5 B6 Ni2 103.68(15) . . . . ?
B10 B5 B6 B11 33.39(12) . . . . ?
B10 B5 B9 B4 -136.61(14) . . . . ?
B10 B5 B9 C8 -96.40(15) . . . . ?
B10 B5 B9 B12 -34.76(14) . . . . ?
B10 B6 B11 Ni2 153.39(12) . . . . ?
B10 B6 B11 B7 102.02(15) . . . . ?
B10 B6 B11 B12 39.10(13) . . . . ?
B10 B9 B12 B7 -98.86(16) . . . . ?
B10 B9 B12 C8 -129.99(14) . . . . ?
B10 B9 B12 B11 -35.41(14) . . . . ?
B10 B11 B12 B7 137.26(14) . . . . ?
B10 B11 B12 C8 98.12(14) . . . . ?
B10 B11 B12 B9 35.88(14) . . . . ?
B11 B6 B10 B5 -141.74(14) . . . . ?
B11 B6 B10 B9 -103.45(15) . . . . ?
B11 B6 B10 B12 -40.49(13) . . . . ?
B11 B7 C8 B3 98.99(14) . . . . ?
B11 B7 C8 B4 63.25(18) . . . . ?
B11 B7 C8 B9 -6.78(18) . . . . ?
B11 B7 C8 B12 -40.20(13) . . . . ?
B11 B7 B12 C8 134.20(14) . . . . ?
B11 B7 B12 B9 102.79(16) . . . . ?
B11 B7 B12 B10 37.93(13) . . . . ?
B11 B10 B12 B7 -37.49(13) . . . . ?
B11 B10 B12 C8 -98.48(14) . . . . ?
B11 B10 B12 B9 -141.28(14) . . . . ?
O11 P1 O12 C12 -65.87(14) . . . . ?
O11 P1 O13 C13 17.84(14) . . . . ?
B12 B7 C8 B3 139.18(14) . . . . ?
B12 B7 C8 B4 103.44(17) . . . . ?
B12 B7 C8 B9 33.42(14) . . . . ?
B12 B7 B11 Ni2 -150.90(12) . . . . ?
B12 B7 B11 B6 -99.68(14) . . . . ?
B12 B7 B11 B10 -37.78(13) . . . . ?
B12 C8 B9 B4 144.71(15) . . . . ?
B12 C8 B9 B5 104.10(16) . . . . ?
B12 C8 B9 B10 42.34(13) . . . . ?
B12 B9 B10 B5 141.11(15) . . . . ?
B12 B9 B10 B6 101.77(15) . . . . ?
B12 B9 B10 B11 35.31(13) . . . . ?
B12 B10 B11 Ni2 107.94(15) . . . . ?
B12 B10 B11 B6 135.05(13) . . . . ?
B12 B10 B11 B7 38.31(13) . . . . ?
O12 P1 O11 C11 -54.01(14) . . . . ?
O12 P1 O13 C13 -90.41(13) . . . . ?
O13 P1 O11 C11 -165.90(13) . . . . ?
O13 P1 O12 C12 38.90(14) . . . . ?
O21 P2 O22 C22 53.51(13) . . . . ?
O21 P2 O23 C23 96.48(16) . . . . ?
O22 P2 O21 C21 45.14(15) . . . . ?
O22 P2 O23 C23 -11.96(17) . . . . ?
O23 P2 O21 C21 -60.28(15) . . . . ?
O23 P2 O22 C22 164.05(12) . . . . ?
C1' C1 B3 Ni2 103.37(14) . . . . ?
C1' C1 B3 B4 -105.83(16) . . . . ?
C1' C1 B3 B7 157.37(14) . . . . ?
C1' C1 B3 C8 -143.38(14) . . . . ?
C1' C1 B4 B3 116.24(15) . . . . ?
C1' C1 B4 B5 -105.79(15) . . . . ?
C1' C1 B4 C8 154.53(14) . . . . ?
C1' C1 B4 B9 -143.57(14) . . . . ?
C1' C1 B5 B4 107.35(15) . . . . ?
C1' C1 B5 B6 -114.60(15) . . . . ?
C1' C1 B5 B9 145.09(14) . . . . ?
C1' C1 B5 B10 -151.13(14) . . . . ?
C1' C1 B6 Ni2 -104.79(14) . . . . ?
C1' C1 B6 B5 104.88(16) . . . . ?
C1' C1 B6 B10 140.85(15) . . . . ?
C1' C1 B6 B11 -157.97(14) . . . . ?
C1' C2' B3' B4' -37.31(11) . . . . ?
C1' C2' B3' B7' -140.54(13) . . . . ?
C1' C2' B3' B8' -100.12(13) . . . . ?
C1' C2' B6' B5' 37.53(11) . . . . ?
C1' C2' B6' B10' 100.05(14) . . . . ?
C1' C2' B6' B11' 140.57(13) . . . . ?
C1' C2' B7' B3' 37.99(12) . . . . ?
C1' C2' B7' B8' -2.01(16) . . . . ?
C1' C2' B7' B11' -104.90(14) . . . . ?
C1' C2' B7' B12' -64.50(15) . . . . ?
C1' C2' B11' B6' -37.52(13) . . . . ?
C1' C2' B11' B7' 105.73(14) . . . . ?
C1' C2' B11' B10' 2.52(17) . . . . ?
C1' C2' B11' B12' 65.20(16) . . . . ?
C1' B3' B4' B5' -34.37(11) . . . . ?
C1' B3' B4' B8' -135.28(12) . . . . ?
C1' B3' B4' B9' -98.06(13) . . . . ?
C1' B3' B7' C2' -33.52(11) . . . . ?
C1' B3' B7' B8' 100.20(13) . . . . ?
C1' B3' B7' B11' -0.63(17) . . . . ?
C1' B3' B7' B12' 62.79(15) . . . . ?
C1' B3' B8' B4' 38.86(11) . . . . ?
C1' B3' B8' B7' -98.57(13) . . . . ?
C1' B3' B8' B9' 2.01(16) . . . . ?
C1' B3' B8' B12' -61.31(16) . . . . ?
C1' B4' B5' B6' -34.78(12) . . . . ?
C1' B4' B5' B9' -135.34(14) . . . . ?
C1' B4' B5' B10' -97.61(14) . . . . ?
C1' B4' B8' B3' -39.30(11) . . . . ?
C1' B4' B8' B7' -1.31(15) . . . . ?
C1' B4' B8' B9' 99.25(13) . . . . ?
C1' B4' B8' B12' 61.81(15) . . . . ?
C1' B4' B9' B5' 38.71(12) . . . . ?
C1' B4' B9' B8' -99.76(14) . . . . ?
C1' B4' B9' B10' 1.31(18) . . . . ?
C1' B4' B9' B12' -62.18(17) . . . . ?
C1' B5' B6' C2' -36.67(11) . . . . ?
C1' B5' B6' B10' -135.38(14) . . . . ?
C1' B5' B6' B11' -97.36(13) . . . . ?
C1' B5' B9' B4' -38.66(12) . . . . ?
C1' B5' B9' B8' -1.43(17) . . . . ?
C1' B5' B9' B10' 99.29(14) . . . . ?
C1' B5' B9' B12' 62.09(15) . . . . ?
C1' B5' B10' B6' 38.78(12) . . . . ?
C1' B5' B10' B9' -99.23(14) . . . . ?
C1' B5' B10' B11' 0.85(17) . . . . ?
C1' B5' B10' B12' -62.16(16) . . . . ?
C1' B6' B10' B5' -38.81(12) . . . . ?
C1' B6' B10' B9' -1.33(18) . . . . ?
C1' B6' B10' B11' 98.90(14) . . . . ?
C1' B6' B10' B12' 61.92(16) . . . . ?
C1' B6' B11' C2' 33.62(11) . . . . ?
C1' B6' B11' B7' 1.18(17) . . . . ?
C1' B6' B11' B10' -99.95(14) . . . . ?
C1' B6' B11' B12' -62.56(15) . . . . ?
C2' C1' B3' B4' 136.63(12) . . . . ?
C2' C1' B3' B7' 34.00(11) . . . . ?
C2' C1' B3' B8' 96.92(13) . . . . ?
C2' C1' B4' B3' -39.01(11) . . . . ?
C2' C1' B4' B5' 102.35(13) . . . . ?
C2' C1' B4' B8' 0.11(15) . . . . ?
C2' C1' B4' B9' 63.08(15) . . . . ?
C2' C1' B5' B4' -101.24(14) . . . . ?
C2' C1' B5' B6' 39.57(12) . . . . ?
C2' C1' B5' B9' -62.19(15) . . . . ?
C2' C1' B5' B10' 0.68(16) . . . . ?
C2' C1' B6' B5' -136.43(13) . . . . ?
C2' C1' B6' B10' -96.98(14) . . . . ?
C2' C1' B6' B11' -34.05(12) . . . . ?
C2' B3' B4' C1' 36.40(10) . . . . ?
C2' B3' B4' B5' 2.03(16) . . . . ?
C2' B3' B4' B8' -98.88(13) . . . . ?
C2' B3' B4' B9' -61.66(15) . . . . ?
C2' B3' B7' B8' 133.72(13) . . . . ?
C2' B3' B7' B11' 32.89(12) . . . . ?
C2' B3' B7' B12' 96.31(14) . . . . ?
C2' B3' B8' B4' 98.12(13) . . . . ?
C2' B3' B8' B7' -39.31(12) . . . . ?
C2' B3' B8' B9' 61.27(16) . . . . ?
C2' B3' B8' B12' -2.05(17) . . . . ?
C2' B6' B10' B5' -98.24(13) . . . . ?
C2' B6' B10' B9' -60.76(17) . . . . ?
C2' B6' B10' B11' 39.46(11) . . . . ?
C2' B6' B10' B12' 2.48(17) . . . . ?
C2' B6' B11' B7' -32.44(12) . . . . ?
C2' B6' B11' B10' -133.57(13) . . . . ?
C2' B6' B11' B12' -96.18(13) . . . . ?
C2' B7' B8' B3' 39.77(11) . . . . ?
C2' B7' B8' B4' 1.96(15) . . . . ?
C2' B7' B8' B9' -60.95(15) . . . . ?
C2' B7' B8' B12' -98.52(13) . . . . ?
C2' B7' B11' B6' 32.69(12) . . . . ?
C2' B7' B11' B10' 95.65(14) . . . . ?
C2' B7' B11' B12' 133.49(14) . . . . ?
C2' B7' B12' B8' 98.62(13) . . . . ?
C2' B7' B12' B9' 60.99(16) . . . . ?
C2' B7' B12' B10' -2.40(16) . . . . ?
C2' B7' B12' B11' -39.75(12) . . . . ?
C2' B11' B12' B7' 39.60(12) . . . . ?
C2' B11' B12' B8' 2.51(18) . . . . ?
C2' B11' B12' B9' -60.91(16) . . . . ?
C2' B11' B12' B10' -98.48(14) . . . . ?
B3' C1' C2' B6' -145.36(13) . . . . ?
B3' C1' C2' B7' -38.11(12) . . . . ?
B3' C1' C2' B11' -107.48(14) . . . . ?
B3' C1' B4' B5' 141.36(13) . . . . ?
B3' C1' B4' B8' 39.13(11) . . . . ?
B3' C1' B4' B9' 102.09(14) . . . . ?
B3' C1' B5' B4' -36.24(12) . . . . ?
B3' C1' B5' B6' 104.58(13) . . . . ?
B3' C1' B5' B9' 2.82(17) . . . . ?
B3' C1' B5' B10' 65.69(15) . . . . ?
B3' C1' B6' C2' 32.39(12) . . . . ?
B3' C1' B6' B5' -104.04(14) . . . . ?
B3' C1' B6' B10' -64.59(16) . . . . ?
B3' C1' B6' B11' -1.66(17) . . . . ?
B3' C2' B6' C1' -33.94(12) . . . . ?
B3' C2' B6' B5' 3.60(17) . . . . ?
B3' C2' B6' B10' 66.11(16) . . . . ?
B3' C2' B6' B11' 106.64(14) . . . . ?
B3' C2' B7' B8' -40.00(11) . . . . ?
B3' C2' B7' B11' -142.89(14) . . . . ?
B3' C2' B7' B12' -102.49(14) . . . . ?
B3' C2' B11' B6' -106.85(15) . . . . ?
B3' C2' B11' B7' 36.40(14) . . . . ?
B3' C2' B11' B10' -66.80(17) . . . . ?
B3' C2' B11' B12' -4.13(18) . . . . ?
B3' B4' B5' C1' 34.77(12) . . . . ?
B3' B4' B5' B6' -0.01(17) . . . . ?
B3' B4' B5' B9' -100.57(14) . . . . ?
B3' B4' B5' B10' -62.84(16) . . . . ?
B3' B4' B8' B7' 37.99(11) . . . . ?
B3' B4' B8' B9' 138.55(13) . . . . ?
B3' B4' B8' B12' 101.11(14) . . . . ?
B3' B4' B9' B5' 101.59(14) . . . . ?
B3' B4' B9' B8' -36.88(12) . . . . ?
B3' B4' B9' B10' 64.18(17) . . . . ?
B3' B4' B9' B12' 0.69(18) . . . . ?
B3' B7' B8' B4' -37.81(12) . . . . ?
B3' B7' B8' B9' -100.71(14) . . . . ?
B3' B7' B8' B12' -138.29(14) . . . . ?
B3' B7' B11' C2' -33.04(12) . . . . ?
B3' B7' B11' B6' -0.35(18) . . . . ?
B3' B7' B11' B10' 62.62(16) . . . . ?
B3' B7' B11' B12' 100.45(14) . . . . ?
B3' B7' B12' B8' 37.04(12) . . . . ?
B3' B7' B12' B9' -0.60(17) . . . . ?
B3' B7' B12' B10' -63.99(16) . . . . ?
B3' B7' B12' B11' -101.34(14) . . . . ?
B3' B8' B9' B4' 36.90(12) . . . . ?
B3' B8' B9' B5' -0.37(17) . . . . ?
B3' B8' B9' B10' -63.60(16) . . . . ?
B3' B8' B9' B12' -101.05(14) . . . . ?
B3' B8' B12' B7' -37.39(13) . . . . ?
B3' B8' B12' B9' 100.43(15) . . . . ?
B3' B8' B12' B10' 63.00(17) . . . . ?
B3' B8' B12' B11' -0.28(19) . . . . ?
B4' C1' C2' B3' 39.34(11) . . . . ?
B4' C1' C2' B6' -106.01(13) . . . . ?
B4' C1' C2' B7' 1.23(16) . . . . ?
B4' C1' C2' B11' -68.14(15) . . . . ?
B4' C1' B3' C2' -136.63(12) . . . . ?
B4' C1' B3' B7' -102.63(13) . . . . ?
B4' C1' B3' B8' -39.70(11) . . . . ?
B4' C1' B5' B6' 140.82(14) . . . . ?
B4' C1' B5' B9' 39.05(12) . . . . ?
B4' C1' B5' B10' 101.92(14) . . . . ?
B4' C1' B6' C2' 99.24(14) . . . . ?
B4' C1' B6' B5' -37.19(13) . . . . ?
B4' C1' B6' B10' 2.26(18) . . . . ?
B4' C1' B6' B11' 65.19(16) . . . . ?
B4' B3' B7' C2' -95.28(13) . . . . ?
B4' B3' B7' B8' 38.45(12) . . . . ?
B4' B3' B7' B11' -62.39(16) . . . . ?
B4' B3' B7' B12' 1.04(17) . . . . ?
B4' B3' B8' B7' -137.43(13) . . . . ?
B4' B3' B8' B9' -36.85(12) . . . . ?
B4' B3' B8' B12' -100.17(14) . . . . ?
B4' B5' B6' C1' 34.65(12) . . . . ?
B4' B5' B6' C2' -2.02(16) . . . . ?
B4' B5' B6' B10' -100.73(15) . . . . ?
B4' B5' B6' B11' -62.71(15) . . . . ?
B4' B5' B9' B8' 37.22(13) . . . . ?
B4' B5' B9' B10' 137.95(14) . . . . ?
B4' B5' B9' B12' 100.74(14) . . . . ?
B4' B5' B10' B6' 100.54(14) . . . . ?
B4' B5' B10' B9' -37.46(13) . . . . ?
B4' B5' B10' B11' 62.61(16) . . . . ?
B4' B5' B10' B12' -0.40(17) . . . . ?
B4' B8' B9' B5' -37.27(13) . . . . ?
B4' B8' B9' B10' -100.50(14) . . . . ?
B4' B8' B9' B12' -137.94(14) . . . . ?
B4' B8' B12' B7' -100.50(14) . . . . ?
B4' B8' B12' B9' 37.32(13) . . . . ?
B4' B8' B12' B10' -0.11(17) . . . . ?
B4' B8' B12' B11' -63.39(17) . . . . ?
B4' B9' B10' B5' 37.59(13) . . . . ?
B4' B9' B10' B6' 0.01(19) . . . . ?
B4' B9' B10' B11' -63.59(17) . . . . ?
B4' B9' B10' B12' -100.86(15) . . . . ?
B4' B9' B12' B7' -0.06(18) . . . . ?
B4' B9' B12' B8' -37.58(13) . . . . ?
B4' B9' B12' B10' 100.61(14) . . . . ?
B4' B9' B12' B11' 63.13(16) . . . . ?
B5' C1' C2' B3' 105.39(13) . . . . ?
B5' C1' C2' B6' -39.97(12) . . . . ?
B5' C1' C2' B7' 67.28(15) . . . . ?
B5' C1' C2' B11' -2.09(17) . . . . ?
B5' C1' B3' C2' -100.00(13) . . . . ?
B5' C1' B3' B4' 36.63(12) . . . . ?
B5' C1' B3' B7' -66.00(15) . . . . ?
B5' C1' B3' B8' -3.07(16) . . . . ?
B5' C1' B4' B3' -141.36(13) . . . . ?
B5' C1' B4' B8' -102.24(13) . . . . ?
B5' C1' B4' B9' -39.27(13) . . . . ?
B5' C1' B6' C2' 136.43(13) . . . . ?
B5' C1' B6' B10' 39.46(13) . . . . ?
B5' C1' B6' B11' 102.39(14) . . . . ?
B5' B4' B8' B3' -101.25(14) . . . . ?
B5' B4' B8' B7' -63.26(15) . . . . ?
B5' B4' B8' B9' 37.30(13) . . . . ?
B5' B4' B8' B12' -0.14(17) . . . . ?
B5' B4' B9' B8' -138.47(14) . . . . ?
B5' B4' B9' B10' -37.41(14) . . . . ?
B5' B4' B9' B12' -100.89(15) . . . . ?
B5' B6' B10' B9' 37.48(13) . . . . ?
B5' B6' B10' B11' 137.70(13) . . . . ?
B5' B6' B10' B12' 100.73(14) . . . . ?
B5' B6' B11' C2' 95.52(13) . . . . ?
B5' B6' B11' B7' 63.08(16) . . . . ?
B5' B6' B11' B10' -38.05(12) . . . . ?
B5' B6' B11' B12' -0.66(16) . . . . ?
B5' B9' B10' B6' -37.57(13) . . . . ?
B5' B9' B10' B11' -101.18(14) . . . . ?
B5' B9' B10' B12' -138.44(13) . . . . ?
B5' B9' B12' B7' -63.62(16) . . . . ?
B5' B9' B12' B8' -101.15(14) . . . . ?
B5' B9' B12' B10' 37.04(12) . . . . ?
B5' B9' B12' B11' -0.44(16) . . . . ?
B5' B10' B11' C2' -1.98(17) . . . . ?
B5' B10' B11' B6' 37.87(12) . . . . ?
B5' B10' B11' B7' -62.90(16) . . . . ?
B5' B10' B11' B12' -100.60(14) . . . . ?
B5' B10' B12' B7' 63.50(16) . . . . ?
B5' B10' B12' B8' 0.31(17) . . . . ?
B5' B10' B12' B9' -37.10(12) . . . . ?
B5' B10' B12' B11' 100.84(14) . . . . ?
B6' C1' C2' B3' 145.36(13) . . . . ?
B6' C1' C2' B7' 107.25(14) . . . . ?
B6' C1' C2' B11' 37.88(13) . . . . ?
B6' C1' B3' C2' -32.55(12) . . . . ?
B6' C1' B3' B4' 104.08(14) . . . . ?
B6' C1' B3' B7' 1.45(17) . . . . ?
B6' C1' B3' B8' 64.38(16) . . . . ?
B6' C1' B4' B3' -104.34(14) . . . . ?
B6' C1' B4' B5' 37.03(13) . . . . ?
B6' C1' B4' B8' -65.21(15) . . . . ?
B6' C1' B4' B9' -2.25(18) . . . . ?
B6' C1' B5' B4' -140.82(14) . . . . ?
B6' C1' B5' B9' -101.77(15) . . . . ?
B6' C1' B5' B10' -38.89(13) . . . . ?
B6' C2' B3' C1' 33.71(12) . . . . ?
B6' C2' B3' B4' -3.60(16) . . . . ?
B6' C2' B3' B7' -106.83(14) . . . . ?
B6' C2' B3' B8' -66.41(16) . . . . ?
B6' C2' B7' B3' 106.82(15) . . . . ?
B6' C2' B7' B8' 66.82(15) . . . . ?
B6' C2' B7' B11' -36.07(13) . . . . ?
B6' C2' B7' B12' 4.32(17) . . . . ?
B6' C2' B11' B7' 143.26(14) . . . . ?
B6' C2' B11' B10' 40.05(12) . . . . ?
B6' C2' B11' B12' 102.72(15) . . . . ?
B6' B5' B9' B4' -100.71(14) . . . . ?
B6' B5' B9' B8' -63.49(16) . . . . ?
B6' B5' B9' B10' 37.24(12) . . . . ?
B6' B5' B9' B12' 0.03(17) . . . . ?
B6' B5' B10' B9' -138.01(14) . . . . ?
B6' B5' B10' B11' -37.93(13) . . . . ?
B6' B5' B10' B12' -100.94(14) . . . . ?
B6' B10' B11' C2' -39.85(12) . . . . ?
B6' B10' B11' B7' -100.77(13) . . . . ?
B6' B10' B11' B12' -138.47(13) . . . . ?
B6' B10' B12' B7' -0.07(17) . . . . ?
B6' B10' B12' B8' -63.26(17) . . . . ?
B6' B10' B12' B9' -100.67(14) . . . . ?
B6' B10' B12' B11' 37.27(12) . . . . ?
B6' B11' B12' B7' 101.18(13) . . . . ?
B6' B11' B12' B8' 64.10(16) . . . . ?
B6' B11' B12' B9' 0.68(16) . . . . ?
B6' B11' B12' B10' -36.89(12) . . . . ?
B7' C2' B3' C1' 140.54(13) . . . . ?
B7' C2' B3' B4' 103.23(13) . . . . ?
B7' C2' B3' B8' 40.42(12) . . . . ?
B7' C2' B6' C1' -104.42(14) . . . . ?
B7' C2' B6' B5' -66.89(16) . . . . ?
B7' C2' B6' B10' -4.38(17) . . . . ?
B7' C2' B6' B11' 36.15(13) . . . . ?
B7' C2' B11' B6' -143.26(14) . . . . ?
B7' C2' B11' B10' -103.21(14) . . . . ?
B7' C2' B11' B12' -40.53(13) . . . . ?
B7' B3' B4' C1' 96.99(13) . . . . ?
B7' B3' B4' B5' 62.62(16) . . . . ?
B7' B3' B4' B8' -38.29(12) . . . . ?
B7' B3' B4' B9' -1.07(17) . . . . ?
B7' B3' B8' B4' 137.43(13) . . . . ?
B7' B3' B8' B9' 100.58(14) . . . . ?
B7' B3' B8' B12' 37.26(13) . . . . ?
B7' B8' B9' B4' 100.40(13) . . . . ?
B7' B8' B9' B5' 63.13(16) . . . . ?
B7' B8' B9' B10' -0.10(17) . . . . ?
B7' B8' B9' B12' -37.55(12) . . . . ?
B7' B8' B12' B9' 137.82(14) . . . . ?
B7' B8' B12' B10' 100.39(14) . . . . ?
B7' B8' B12' B11' 37.11(13) . . . . ?
B7' B11' B12' B8' -37.09(13) . . . . ?
B7' B11' B12' B9' -100.50(14) . . . . ?
B7' B11' B12' B10' -138.08(13) . . . . ?
B8' B3' B4' C1' 135.28(12) . . . . ?
B8' B3' B4' B5' 100.91(14) . . . . ?
B8' B3' B4' B9' 37.22(12) . . . . ?
B8' B3' B7' C2' -133.72(13) . . . . ?
B8' B3' B7' B11' -100.83(14) . . . . ?
B8' B3' B7' B12' -37.41(13) . . . . ?
B8' B4' B5' C1' 97.95(14) . . . . ?
B8' B4' B5' B6' 63.17(16) . . . . ?
B8' B4' B5' B9' -37.39(13) . . . . ?
B8' B4' B5' B10' 0.33(17) . . . . ?
B8' B4' B9' B5' 138.47(14) . . . . ?
B8' B4' B9' B10' 101.06(15) . . . . ?
B8' B4' B9' B12' 37.58(13) . . . . ?
B8' B7' B11' C2' -96.06(14) . . . . ?
B8' B7' B11' B6' -63.36(16) . . . . ?
B8' B7' B11' B10' -0.40(17) . . . . ?
B8' B7' B11' B12' 37.44(12) . . . . ?
B8' B7' B12' B9' -37.64(13) . . . . ?
B8' B7' B12' B10' -101.03(14) . . . . ?
B8' B7' B12' B11' -138.38(14) . . . . ?
B8' B9' B10' B5' 101.03(14) . . . . ?
B8' B9' B10' B6' 63.46(17) . . . . ?
B8' B9' B10' B11' -0.14(17) . . . . ?
B8' B9' B10' B12' -37.41(12) . . . . ?
B8' B9' B12' B7' 37.53(12) . . . . ?
B8' B9' B12' B10' 138.19(13) . . . . ?
B8' B9' B12' B11' 100.71(13) . . . . ?
B9' B4' B5' C1' 135.34(14) . . . . ?
B9' B4' B5' B6' 100.56(15) . . . . ?
B9' B4' B5' B10' 37.73(13) . . . . ?
B9' B4' B8' B3' -138.55(13) . . . . ?
B9' B4' B8' B7' -100.56(14) . . . . ?
B9' B4' B8' B12' -37.44(13) . . . . ?
B9' B5' B6' C1' 97.75(14) . . . . ?
B9' B5' B6' C2' 61.08(15) . . . . ?
B9' B5' B6' B10' -37.63(12) . . . . ?
B9' B5' B6' B11' 0.39(16) . . . . ?
B9' B5' B10' B6' 138.01(14) . . . . ?
B9' B5' B10' B11' 100.07(15) . . . . ?
B9' B5' B10' B12' 37.06(13) . . . . ?
B9' B8' B12' B7' -137.82(14) . . . . ?
B9' B8' B12' B10' -37.43(13) . . . . ?
B9' B8' B12' B11' -100.71(15) . . . . ?
B9' B10' B11' C2' 61.26(16) . . . . ?
B9' B10' B11' B6' 101.10(14) . . . . ?
B9' B10' B11' B7' 0.34(17) . . . . ?
B9' B10' B11' B12' -37.37(12) . . . . ?
B9' B10' B12' B7' 100.60(14) . . . . ?
B9' B10' B12' B8' 37.42(12) . . . . ?
B9' B10' B12' B11' 137.94(13) . . . . ?
B10' B5' B6' C1' 135.38(14) . . . . ?
B10' B5' B6' C2' 98.71(14) . . . . ?
B10' B5' B6' B11' 38.02(12) . . . . ?
B10' B5' B9' B4' -137.95(14) . . . . ?
B10' B5' B9' B8' -100.73(15) . . . . ?
B10' B5' B9' B12' -37.21(12) . . . . ?
B10' B6' B11' C2' 133.57(13) . . . . ?
B10' B6' B11' B7' 101.13(14) . . . . ?
B10' B6' B11' B12' 37.39(12) . . . . ?
B10' B9' B12' B7' -100.67(14) . . . . ?
B10' B9' B12' B8' -138.19(13) . . . . ?
B10' B9' B12' B11' -37.49(12) . . . . ?
B10' B11' B12' B7' 138.08(13) . . . . ?
B10' B11' B12' B8' 100.99(15) . . . . ?
B10' B11' B12' B9' 37.57(12) . . . . ?
B11' C2' B3' C1' 104.08(14) . . . . ?
B11' C2' B3' B4' 66.78(16) . . . . ?
B11' C2' B3' B7' -36.46(14) . . . . ?
B11' C2' B3' B8' 3.97(18) . . . . ?
B11' C2' B6' C1' -140.57(13) . . . . ?
B11' C2' B6' B5' -103.04(14) . . . . ?
B11' C2' B6' B10' -40.52(12) . . . . ?
B11' C2' B7' B3' 142.89(14) . . . . ?
B11' C2' B7' B8' 102.89(14) . . . . ?
B11' C2' B7' B12' 40.40(12) . . . . ?
B11' B6' B10' B5' -137.70(13) . . . . ?
B11' B6' B10' B9' -100.22(15) . . . . ?
B11' B6' B10' B12' -36.98(12) . . . . ?
B11' B7' B8' B3' 101.02(14) . . . . ?
B11' B7' B8' B4' 63.22(15) . . . . ?
B11' B7' B8' B9' 0.31(17) . . . . ?
B11' B7' B8' B12' -37.26(12) . . . . ?
B11' B7' B12' B8' 138.38(14) . . . . ?
B11' B7' B12' B9' 100.74(15) . . . . ?
B11' B7' B12' B10' 37.35(13) . . . . ?
B11' B10' B12' B7' -37.34(12) . . . . ?
B11' B10' B12' B8' -100.53(14) . . . . ?
B11' B10' B12' B9' -137.94(13) . . . . ?
B12' B7' B8' B3' 138.29(14) . . . . ?
B12' B7' B8' B4' 100.48(14) . . . . ?
B12' B7' B8' B9' 37.57(13) . . . . ?
B12' B7' B11' C2' -133.49(14) . . . . ?
B12' B7' B11' B6' -100.80(15) . . . . ?
B12' B7' B11' B10' -37.84(13) . . . . ?
B12' B8' B9' B4' 137.94(14) . . . . ?
B12' B8' B9' B5' 100.68(15) . . . . ?
B12' B8' B9' B10' 37.45(12) . . . . ?
B12' B9' B10' B5' 138.44(13) . . . . ?
B12' B9' B10' B6' 100.87(14) . . . . ?
B12' B9' B10' B11' 37.27(12) . . . . ?
B12' B10' B11' C2' 98.63(13) . . . . ?
B12' B10' B11' B6' 138.47(13) . . . . ?
B12' B10' B11' B7' 37.70(12) . . . . ?

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