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

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

data_cloh
_database_code_depnum_ccdc_archive 'CCDC 1057639'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-05-22
_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         '2(C24 H20 P), B12 Cl11 O'
_chemical_formula_sum            'C48 H40 B12 Cl11 O P2'
_chemical_formula_weight         1214.41
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   14.9569(4)
_cell_length_b                   10.1560(3)
_cell_length_c                   18.0974(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.432(2)
_cell_angle_gamma                90
_cell_volume                     2703.59(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6619
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      29.2040
_cell_measurement_theta_min      2.4310
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.663
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1226
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15848
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.503
_diffrn_reflns_theta_min         1.949
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    4.00   81.00   1.0000   37.4150
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  -90.0000 77

#__ type_ start__ end____ width___ exp.time_
  2 omega   15.00   80.00   1.0000   37.4150
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  120.0000 65

#__ type_ start__ end____ width___ exp.time_
  3 omega   -3.00   51.00   1.0000   37.4150
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000   60.0000 54

#__ type_ start__ end____ width___ exp.time_
  4 omega   -2.00   54.00   1.0000   37.4150
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000 -180.0000 56

#__ type_ start__ end____ width___ exp.time_
  5 omega   23.00   53.00   1.0000   37.4150
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000  120.0000 30
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0115527000
_diffrn_orient_matrix_UB_12      0.0332842000
_diffrn_orient_matrix_UB_13      0.0314282000
_diffrn_orient_matrix_UB_21      0.0463769000
_diffrn_orient_matrix_UB_22      -0.0005228000
_diffrn_orient_matrix_UB_23      0.0177232000
_diffrn_orient_matrix_UB_31      0.0066426000
_diffrn_orient_matrix_UB_32      0.0613591000
_diffrn_orient_matrix_UB_33      -0.0168888000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5531
_reflns_number_total             6304
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         6304
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.107
_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)+(0.0327P)²+3.3960P+1.0000sinθ/λ] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0964
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The oxygen atom is disordered over two positions with occupancies of 50%.
 The oxygen atom and the respective chlorine atom were refined isotropically.
 The hydrogen atom of the hydroxy group has not been included in the refinement.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: B1(0.5) O1(0.5) Cl1(0.5) B1A(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24)
;
_atom_sites_solution_hydrogens   geom
_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 0.61280(14) 0.3967(2) 0.39411(12) 0.0169(4) Uani 1 1 d . . . . .
C2 C 0.66487(15) 0.4406(2) 0.46157(13) 0.0227(5) Uani 1 1 d . . . . .
H2 H 0.6551 0.4056 0.5081 0.027 Uiso 1 1 calc R . . . .
C3 C 0.73099(17) 0.5357(3) 0.45995(15) 0.0309(6) Uani 1 1 d . . . . .
H3 H 0.7669 0.5655 0.5056 0.037 Uiso 1 1 calc R . . . .
C4 C 0.74480(17) 0.5869(3) 0.39282(16) 0.0339(6) Uani 1 1 d . . . . .
H4 H 0.7905 0.6518 0.3924 0.041 Uiso 1 1 calc R . . . .
C5 C 0.69272(17) 0.5451(3) 0.32553(15) 0.0300(6) Uani 1 1 d . . . . .
H5 H 0.7021 0.5819 0.2793 0.036 Uiso 1 1 calc R . . . .
C6 C 0.62699(16) 0.4492(2) 0.32627(13) 0.0246(5) Uani 1 1 d . . . . .
H6 H 0.5916 0.4194 0.2804 0.030 Uiso 1 1 calc R . . . .
C7 C 0.41615(14) 0.3425(2) 0.36167(12) 0.0171(4) Uani 1 1 d . . . . .
C8 C 0.40495(15) 0.4768(2) 0.34763(12) 0.0200(4) Uani 1 1 d . . . . .
H8 H 0.4564 0.5332 0.3532 0.024 Uiso 1 1 calc R . . . .
C9 C 0.31806(16) 0.5281(3) 0.32536(14) 0.0264(5) Uani 1 1 d . . . . .
H9 H 0.3102 0.6194 0.3147 0.032 Uiso 1 1 calc R . . . .
C10 C 0.24314(16) 0.4464(3) 0.31876(14) 0.0298(6) Uani 1 1 d . . . . .
H10 H 0.1839 0.4822 0.3039 0.036 Uiso 1 1 calc R . . . .
C11 C 0.25333(16) 0.3130(3) 0.33349(14) 0.0292(6) Uani 1 1 d . . . . .
H11 H 0.2013 0.2579 0.3293 0.035 Uiso 1 1 calc R . . . .
C12 C 0.33958(16) 0.2600(2) 0.35433(14) 0.0252(5) Uani 1 1 d . . . . .
H12 H 0.3469 0.1682 0.3636 0.030 Uiso 1 1 calc R . . . .
C13 C 0.54400(14) 0.1484(2) 0.32409(12) 0.0170(4) Uani 1 1 d . . . . .
C14 C 0.61690(15) 0.0606(2) 0.33947(13) 0.0223(5) Uani 1 1 d . . . . .
H14 H 0.6551 0.0615 0.3875 0.027 Uiso 1 1 calc R . . . .
C15 C 0.63396(16) -0.0274(2) 0.28539(14) 0.0248(5) Uani 1 1 d . . . . .
H15 H 0.6840 -0.0862 0.2962 0.030 Uiso 1 1 calc R . . . .
C16 C 0.57786(16) -0.0300(2) 0.21514(14) 0.0235(5) Uani 1 1 d . . . . .
H16 H 0.5888 -0.0916 0.1783 0.028 Uiso 1 1 calc R . . . .
C17 C 0.50598(16) 0.0575(2) 0.19901(13) 0.0231(5) Uani 1 1 d . . . . .
H17 H 0.4681 0.0562 0.1508 0.028 Uiso 1 1 calc R . . . .
C18 C 0.48857(16) 0.1476(2) 0.25278(13) 0.0205(5) Uani 1 1 d . . . . .
H18 H 0.4395 0.2080 0.2412 0.025 Uiso 1 1 calc R . . . .
C19 C 0.53443(15) 0.2122(2) 0.48628(12) 0.0187(4) Uani 1 1 d . . . . .
C20 C 0.46469(16) 0.2403(2) 0.52531(13) 0.0221(5) Uani 1 1 d . . . . .
H20 H 0.4102 0.2802 0.5001 0.027 Uiso 1 1 calc R . . . .
C21 C 0.47499(17) 0.2099(2) 0.60127(14) 0.0264(5) Uani 1 1 d . . . . .
H21 H 0.4274 0.2293 0.6280 0.032 Uiso 1 1 calc R . . . .
C22 C 0.55430(18) 0.1516(2) 0.63825(14) 0.0264(5) Uani 1 1 d . . . . .
H22 H 0.5609 0.1310 0.6902 0.032 Uiso 1 1 calc R . . . .
C23 C 0.62406(17) 0.1232(2) 0.59966(13) 0.0251(5) Uani 1 1 d . . . . .
H23 H 0.6782 0.0825 0.6251 0.030 Uiso 1 1 calc R . . . .
C24 C 0.61501(16) 0.1542(2) 0.52375(13) 0.0238(5) Uani 1 1 d . . . . .
H24 H 0.6632 0.1362 0.4975 0.029 Uiso 1 1 calc R . . . .
P1 P 0.52720(4) 0.27237(5) 0.39158(3) 0.01517(12) Uani 1 1 d . . . . .
B1 B 0.9416(5) 0.9251(8) 0.4266(4) 0.013(2) Uiso 0.5 1 d . . P A 2
B2 B 0.98359(15) 0.8358(2) 0.50931(14) 0.0154(5) Uani 1 1 d . . . . .
B3 B 0.97820(15) 0.9482(2) 0.58430(13) 0.0157(5) Uani 1 1 d . . . . .
B4 B 0.93578(15) 1.1012(2) 0.54369(14) 0.0152(5) Uani 1 1 d . . . . .
B5 B 0.91599(15) 1.0834(2) 0.44400(14) 0.0156(5) Uani 1 1 d . . . . .
B6 B 0.89192(15) 0.9502(2) 0.50176(13) 0.0143(4) Uani 1 1 d . . . . .
O1 O 0.8987(3) 0.8367(5) 0.3504(3) 0.0178(15) Uiso 0.5 1 d . . P A 1
Cl1 Cl 0.88249(12) 0.84267(16) 0.34599(9) 0.0150(4) Uiso 0.5 1 d . . P A 2
Cl2 Cl 0.96710(4) 0.66199(5) 0.51842(3) 0.02253(13) Uani 1 1 d . . . . .
Cl3 Cl 0.95661(4) 0.89474(6) 0.67417(3) 0.02458(13) Uani 1 1 d . . . . .
Cl4 Cl 0.86488(4) 1.20682(6) 0.58826(3) 0.02397(13) Uani 1 1 d . . . . .
Cl5 Cl 0.82794(4) 1.17584(5) 0.38546(3) 0.02300(13) Uani 1 1 d . . . . .
Cl6 Cl 0.77745(3) 0.89746(5) 0.50341(3) 0.01827(12) Uani 1 1 d . . . . .
B1A B 0.9471(5) 0.9122(7) 0.4180(4) 0.010(2) Uiso 0.5 1 d . . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.397(3) . ?
C1 C6 1.390(3) . ?
C1 P1 1.793(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.371(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.392(3) . ?
C7 C12 1.405(3) . ?
C7 P1 1.798(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(3) . ?
C13 C18 1.402(3) . ?
C13 P1 1.803(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.391(3) . ?
C19 C24 1.401(3) . ?
C19 P1 1.804(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.392(3) . ?
C24 H24 0.9500 . ?
B1 B2 1.766(8) . ?
B1 B3 1.793(8) 3_776 ?
B1 B4 1.834(8) 3_776 ?
B1 B5 1.695(8) . ?
B1 B6 1.684(8) . ?
B1 Cl1 1.773(8) . ?
B2 B3 1.786(4) . ?
B2 B4 1.790(3) 3_776 ?
B2 B5 1.784(3) 3_776 ?
B2 B6 1.784(3) . ?
B2 Cl2 1.794(2) . ?
B2 B1A 1.818(8) . ?
B3 B4 1.785(3) . ?
B3 B5 1.779(3) 3_776 ?
B3 B6 1.788(3) . ?
B3 Cl3 1.799(2) . ?
B3 B1A 1.811(8) 3_776 ?
B4 B5 1.784(3) . ?
B4 B6 1.782(3) . ?
B4 Cl4 1.799(3) . ?
B4 B1A 1.769(8) 3_776 ?
B5 B6 1.786(3) . ?
B5 Cl5 1.798(2) . ?
B5 B1A 1.882(8) . ?
B6 Cl6 1.799(2) . ?
B6 B1A 1.892(8) . ?
O1 B1A 1.512(9) . ?

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 P1 121.98(17) . . ?
C6 C1 C2 120.0(2) . . ?
C6 C1 P1 118.05(16) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.4(2) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.7(2) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(2) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 H6 120.0 . . ?
C8 C7 C12 119.8(2) . . ?
C8 C7 P1 121.13(16) . . ?
C12 C7 P1 119.01(17) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.7(2) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.1(2) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.8(2) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.8(2) . . ?
C12 C11 H11 120.1 . . ?
C7 C12 H12 120.1 . . ?
C11 C12 C7 119.8(2) . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C18 119.4(2) . . ?
C14 C13 P1 120.67(17) . . ?
C18 C13 P1 119.70(17) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(2) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.7(2) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.5(2) . . ?
C17 C18 H18 120.3 . . ?
C20 C19 C24 119.9(2) . . ?
C20 C19 P1 119.42(17) . . ?
C24 C19 P1 120.03(17) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.8(2) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.3(2) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.2(2) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.2(2) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 H24 120.2 . . ?
C23 C24 C19 119.6(2) . . ?
C23 C24 H24 120.2 . . ?
C1 P1 C7 110.20(10) . . ?
C1 P1 C13 108.83(10) . . ?
C1 P1 C19 107.13(10) . . ?
C7 P1 C13 107.88(10) . . ?
C7 P1 C19 108.26(10) . . ?
C13 P1 C19 114.52(10) . . ?
B2 B1 B3 108.6(4) . 3_776 ?
B2 B1 B4 59.6(3) . 3_776 ?
B2 B1 Cl1 120.2(5) . . ?
B3 B1 B4 58.9(3) 3_776 3_776 ?
B5 B1 B2 112.8(5) . . ?
B5 B1 B3 61.2(3) . 3_776 ?
B5 B1 B4 109.3(4) . 3_776 ?
B5 B1 Cl1 120.3(5) . . ?
B6 B1 B2 62.2(3) . . ?
B6 B1 B3 112.4(5) . 3_776 ?
B6 B1 B4 110.4(4) . 3_776 ?
B6 B1 B5 63.8(3) . . ?
B6 B1 Cl1 120.6(5) . . ?
Cl1 B1 B3 119.5(5) . 3_776 ?
Cl1 B1 B4 119.7(5) . 3_776 ?
B1 B2 B3 104.9(3) . . ?
B1 B2 B4 62.1(3) . 3_776 ?
B1 B2 B5 107.7(3) . 3_776 ?
B1 B2 B6 56.7(3) . . ?
B1 B2 Cl2 123.3(3) . . ?
B3 B2 B4 107.83(16) . 3_776 ?
B3 B2 Cl2 122.22(16) . . ?
B3 B2 B1A 111.8(3) . . ?
B4 B2 Cl2 121.22(16) 3_776 . ?
B4 B2 B1A 58.7(3) 3_776 . ?
B5 B2 B3 59.76(13) 3_776 . ?
B5 B2 B4 59.89(13) 3_776 3_776 ?
B5 B2 Cl2 121.79(15) 3_776 . ?
B5 B2 B1A 108.9(3) 3_776 . ?
B6 B2 B3 60.13(13) . . ?
B6 B2 B4 108.02(16) . 3_776 ?
B6 B2 B5 107.84(16) . 3_776 ?
B6 B2 Cl2 122.10(15) . . ?
B6 B2 B1A 63.4(3) . . ?
Cl2 B2 B1A 118.7(3) . . ?
B1 B3 Cl3 123.3(3) 3_776 . ?
B2 B3 B1 104.6(3) . 3_776 ?
B2 B3 B6 59.86(13) . . ?
B2 B3 Cl3 122.29(15) . . ?
B2 B3 B1A 111.7(3) . 3_776 ?
B4 B3 B1 61.7(3) . 3_776 ?
B4 B3 B2 107.75(16) . . ?
B4 B3 B6 59.83(13) . . ?
B4 B3 Cl3 121.77(16) . . ?
B4 B3 B1A 58.9(3) . 3_776 ?
B5 B3 B1 56.7(3) 3_776 3_776 ?
B5 B3 B2 60.06(13) 3_776 . ?
B5 B3 B4 107.89(16) 3_776 . ?
B5 B3 B6 107.86(17) 3_776 . ?
B5 B3 Cl3 121.37(15) 3_776 . ?
B5 B3 B1A 63.2(3) 3_776 3_776 ?
B6 B3 B1 107.2(3) . 3_776 ?
B6 B3 Cl3 122.55(15) . . ?
B6 B3 B1A 109.1(3) . 3_776 ?
Cl3 B3 B1A 118.0(3) . 3_776 ?
B2 B4 B1 58.3(3) 3_776 3_776 ?
B2 B4 Cl4 122.42(15) 3_776 . ?
B3 B4 B1 59.4(3) . 3_776 ?
B3 B4 B2 107.94(16) . 3_776 ?
B3 B4 Cl4 121.93(16) . . ?
B5 B4 B1 104.8(3) . 3_776 ?
B5 B4 B2 59.91(13) . 3_776 ?
B5 B4 B3 108.06(17) . . ?
B5 B4 Cl4 120.69(15) . . ?
B6 B4 B1 105.7(3) . 3_776 ?
B6 B4 B2 108.13(17) . 3_776 ?
B6 B4 B3 60.18(13) . . ?
B6 B4 B5 60.10(13) . . ?
B6 B4 Cl4 120.17(15) . . ?
Cl4 B4 B1 126.5(3) . 3_776 ?
B1A B4 B2 61.4(3) 3_776 3_776 ?
B1A B4 B3 61.2(3) 3_776 . ?
B1A B4 B5 111.1(3) 3_776 . ?
B1A B4 B6 111.3(3) 3_776 . ?
B1A B4 Cl4 119.5(3) 3_776 . ?
B1 B5 B2 108.9(3) . 3_776 ?
B1 B5 B3 62.1(3) . 3_776 ?
B1 B5 B4 106.4(3) . . ?
B1 B5 B6 57.8(3) . . ?
B1 B5 Cl5 123.5(3) . . ?
B2 B5 B6 108.22(16) 3_776 . ?
B2 B5 Cl5 120.20(15) 3_776 . ?
B2 B5 B1A 108.6(3) 3_776 . ?
B3 B5 B2 60.18(13) 3_776 3_776 ?
B3 B5 B4 108.43(16) 3_776 . ?
B3 B5 B6 108.42(16) 3_776 . ?
B3 B5 Cl5 121.31(15) 3_776 . ?
B3 B5 B1A 59.2(2) 3_776 . ?
B4 B5 B2 60.21(13) . 3_776 ?
B4 B5 B6 59.91(13) . . ?
B4 B5 Cl5 120.86(16) . . ?
B4 B5 B1A 110.1(3) . . ?
B6 B5 Cl5 122.46(15) . . ?
B6 B5 B1A 62.1(3) . . ?
Cl5 B5 B1A 121.5(3) . . ?
B1 B6 B2 61.2(3) . . ?
B1 B6 B3 108.4(3) . . ?
B1 B6 B4 107.0(3) . . ?
B1 B6 B5 58.4(3) . . ?
B1 B6 Cl6 121.9(3) . . ?
B2 B6 B3 60.01(13) . . ?
B2 B6 B5 107.74(16) . . ?
B2 B6 Cl6 121.69(15) . . ?
B2 B6 B1A 59.2(2) . . ?
B3 B6 Cl6 121.84(15) . . ?
B3 B6 B1A 108.3(3) . . ?
B4 B6 B2 108.01(15) . . ?
B4 B6 B3 59.99(13) . . ?
B4 B6 B5 60.00(13) . . ?
B4 B6 Cl6 121.81(16) . . ?
B4 B6 B1A 109.7(3) . . ?
B5 B6 B3 107.82(16) . . ?
B5 B6 Cl6 121.91(15) . . ?
B5 B6 B1A 61.5(3) . . ?
Cl6 B6 B1A 120.4(3) . . ?
B2 B1A B5 102.3(4) . . ?
B2 B1A B6 57.4(2) . . ?
B3 B1A B2 105.6(4) 3_776 . ?
B3 B1A B5 57.6(3) 3_776 . ?
B3 B1A B6 102.6(4) 3_776 . ?
B4 B1A B2 59.8(3) 3_776 . ?
B4 B1A B3 59.8(3) 3_776 3_776 ?
B4 B1A B5 104.2(4) 3_776 . ?
B4 B1A B6 104.2(4) 3_776 . ?
B5 B1A B6 56.5(3) . . ?
O1 B1A B2 122.7(5) . . ?
O1 B1A B3 125.9(5) . 3_776 ?
O1 B1A B4 125.0(5) . 3_776 ?
O1 B1A B5 124.6(5) . . ?
O1 B1A B6 122.5(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
C2 C1 P1 C7 111.54(19) . . . . ?
C2 C1 P1 C13 -130.35(19) . . . . ?
C2 C1 P1 C19 -6.0(2) . . . . ?
C2 C3 C4 C5 0.3(4) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C4 C5 C6 C1 0.7(4) . . . . ?
C6 C1 C2 C3 -0.6(3) . . . . ?
C6 C1 P1 C7 -68.8(2) . . . . ?
C6 C1 P1 C13 49.3(2) . . . . ?
C6 C1 P1 C19 173.66(18) . . . . ?
C7 C8 C9 C10 1.4(4) . . . . ?
C8 C7 C12 C11 -0.3(4) . . . . ?
C8 C7 P1 C1 -3.1(2) . . . . ?
C8 C7 P1 C13 -121.77(19) . . . . ?
C8 C7 P1 C19 113.79(19) . . . . ?
C8 C9 C10 C11 -0.5(4) . . . . ?
C9 C10 C11 C12 -0.7(4) . . . . ?
C10 C11 C12 C7 1.1(4) . . . . ?
C12 C7 C8 C9 -0.9(3) . . . . ?
C12 C7 P1 C1 178.54(18) . . . . ?
C12 C7 P1 C13 59.9(2) . . . . ?
C12 C7 P1 C19 -64.6(2) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C14 C13 C18 C17 1.4(3) . . . . ?
C14 C13 P1 C1 72.2(2) . . . . ?
C14 C13 P1 C7 -168.23(18) . . . . ?
C14 C13 P1 C19 -47.6(2) . . . . ?
C14 C15 C16 C17 1.2(4) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C17 C18 C13 -0.7(3) . . . . ?
C18 C13 C14 C15 -0.8(3) . . . . ?
C18 C13 P1 C1 -101.78(19) . . . . ?
C18 C13 P1 C7 17.8(2) . . . . ?
C18 C13 P1 C19 138.38(18) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C19 C24 C23 1.0(3) . . . . ?
C20 C19 P1 C1 110.78(19) . . . . ?
C20 C19 P1 C7 -8.0(2) . . . . ?
C20 C19 P1 C13 -128.43(18) . . . . ?
C20 C21 C22 C23 0.0(4) . . . . ?
C21 C22 C23 C24 0.6(4) . . . . ?
C22 C23 C24 C19 -1.1(4) . . . . ?
C24 C19 C20 C21 -0.4(3) . . . . ?
C24 C19 P1 C1 -60.2(2) . . . . ?
C24 C19 P1 C7 -178.99(18) . . . . ?
C24 C19 P1 C13 60.6(2) . . . . ?
P1 C1 C2 C3 179.08(19) . . . . ?
P1 C1 C6 C5 -179.7(2) . . . . ?
P1 C7 C8 C9 -179.31(18) . . . . ?
P1 C7 C12 C11 178.10(19) . . . . ?
P1 C13 C14 C15 -174.79(18) . . . . ?
P1 C13 C18 C17 175.44(17) . . . . ?
P1 C19 C20 C21 -171.40(18) . . . . ?
P1 C19 C24 C23 171.93(18) . . . . ?
B1 B2 B3 B1 -65.7(5) . . . 3_776 ?
B1 B2 B3 B4 -1.3(3) . . . . ?
B1 B2 B3 B5 -102.1(3) . . . 3_776 ?
B1 B2 B3 B6 36.0(3) . . . . ?
B1 B2 B3 Cl3 147.6(3) . . . . ?
B1 B2 B6 B3 -137.2(3) . . . . ?
B1 B2 B6 B4 -99.9(3) . . . . ?
B1 B2 B6 B5 -36.5(3) . . . . ?
B1 B2 B6 Cl6 111.7(4) . . . . ?
B1 B3 B4 B2 33.6(3) 3_776 . . 3_776 ?
B1 B3 B4 B5 96.9(3) 3_776 . . . ?
B1 B3 B4 B6 134.6(3) 3_776 . . . ?
B1 B3 B4 Cl4 -116.4(3) 3_776 . . . ?
B1 B3 B6 B1 58.4(5) 3_776 . . . ?
B1 B3 B6 B2 97.2(3) 3_776 . . . ?
B1 B3 B6 B4 -41.0(3) 3_776 . . . ?
B1 B3 B6 B5 -3.4(3) 3_776 . . . ?
B1 B3 B6 Cl6 -152.0(3) 3_776 . . . ?
B1 B4 B5 B1 64.2(5) 3_776 . . . ?
B1 B4 B5 B2 -38.6(3) 3_776 . . 3_776 ?
B1 B4 B5 B3 -1.2(3) 3_776 . . 3_776 ?
B1 B4 B5 B6 99.8(3) 3_776 . . . ?
B1 B4 B5 Cl5 -148.1(3) 3_776 . . . ?
B1 B4 B6 B1 -62.3(5) 3_776 . . . ?
B1 B4 B6 B2 2.2(3) 3_776 . . . ?
B1 B4 B6 B3 39.5(3) 3_776 . . . ?
B1 B4 B6 B5 -98.3(3) 3_776 . . . ?
B1 B4 B6 Cl6 150.5(3) 3_776 . . . ?
B1 B5 B6 B2 37.7(3) . . . . ?
B1 B5 B6 B3 101.1(3) . . . . ?
B1 B5 B6 B4 138.6(3) . . . . ?
B1 B5 B6 Cl6 -110.4(4) . . . . ?
B2 B1 B5 B2 60.4(5) . . . 3_776 ?
B2 B1 B5 B3 99.5(4) . . . 3_776 ?
B2 B1 B5 B4 -3.0(5) . . . . ?
B2 B1 B5 B6 -39.6(3) . . . . ?
B2 B1 B5 Cl5 -149.7(3) . . . . ?
B2 B1 B6 B3 38.3(3) . . . . ?
B2 B1 B6 B4 101.6(2) . . . . ?
B2 B1 B6 B5 138.3(3) . . . . ?
B2 B1 B6 Cl6 -111.3(2) . . . . ?
B2 B3 B4 B1 -97.4(3) . . . 3_776 ?
B2 B3 B4 B2 -63.8(2) . . . 3_776 ?
B2 B3 B4 B5 -0.5(2) . . . . ?
B2 B3 B4 B6 37.24(15) . . . . ?
B2 B3 B4 Cl4 146.23(15) . . . . ?
B2 B3 B4 B1A -105.1(3) . . . 3_776 ?
B2 B3 B6 B1 -38.8(3) . . . . ?
B2 B3 B6 B4 -138.20(17) . . . . ?
B2 B3 B6 B5 -100.60(18) . . . . ?
B2 B3 B6 Cl6 110.83(19) . . . . ?
B2 B3 B6 B1A -35.6(3) . . . . ?
B2 B4 B5 B1 102.8(3) 3_776 . . . ?
B2 B4 B5 B3 37.38(16) 3_776 . . 3_776 ?
B2 B4 B5 B6 138.44(17) 3_776 . . . ?
B2 B4 B5 Cl5 -109.46(18) 3_776 . . . ?
B2 B4 B5 B1A 100.5(3) 3_776 . . . ?
B2 B4 B6 B1 -1.1(3) 3_776 . . . ?
B2 B4 B6 B2 63.3(2) 3_776 . . . ?
B2 B4 B6 B3 100.71(17) 3_776 . . . ?
B2 B4 B6 B5 -37.16(15) 3_776 . . . ?
B2 B4 B6 Cl6 -148.26(15) 3_776 . . . ?
B2 B4 B6 B1A 0.5(3) 3_776 . . . ?
B2 B5 B6 B1 -101.3(4) 3_776 . . . ?
B2 B5 B6 B2 -63.6(2) 3_776 . . . ?
B2 B5 B6 B3 -0.3(2) 3_776 . . . ?
B2 B5 B6 B4 37.31(16) 3_776 . . . ?
B2 B5 B6 Cl6 148.26(16) 3_776 . . . ?
B2 B5 B6 B1A -101.8(3) 3_776 . . . ?
B2 B5 B1A B2 65.0(4) 3_776 . . . ?
B2 B5 B1A B3 -35.8(2) 3_776 . . 3_776 ?
B2 B5 B1A B4 3.4(4) 3_776 . . 3_776 ?
B2 B5 B1A B6 101.3(2) 3_776 . . . ?
B2 B5 B1A O1 -149.7(5) 3_776 . . . ?
B2 B6 B1A B3 -100.6(4) . . . 3_776 ?
B2 B6 B1A B4 -39.0(3) . . . 3_776 ?
B2 B6 B1A B5 -136.7(3) . . . . ?
B2 B6 B1A O1 110.6(6) . . . . ?
B3 B1 B2 B3 68.6(4) 3_776 . . . ?
B3 B1 B2 B4 -34.0(3) 3_776 . . 3_776 ?
B3 B1 B2 B5 6.1(5) 3_776 . . 3_776 ?
B3 B1 B2 B6 106.1(5) 3_776 . . . ?
B3 B1 B2 Cl2 -144.7(3) 3_776 . . . ?
B3 B1 B5 B2 -39.0(3) 3_776 . . 3_776 ?
B3 B1 B5 B4 -102.5(2) 3_776 . . . ?
B3 B1 B5 B6 -139.1(3) 3_776 . . . ?
B3 B1 B5 Cl5 110.8(3) 3_776 . . . ?
B3 B1 B6 B2 -99.9(4) 3_776 . . . ?
B3 B1 B6 B3 -61.6(5) 3_776 . . . ?
B3 B1 B6 B4 1.6(5) 3_776 . . . ?
B3 B1 B6 B5 38.4(3) 3_776 . . . ?
B3 B1 B6 Cl6 148.7(3) 3_776 . . . ?
B3 B2 B6 B1 137.2(3) . . . . ?
B3 B2 B6 B4 37.37(15) . . . . ?
B3 B2 B6 B5 100.74(17) . . . . ?
B3 B2 B6 Cl6 -111.08(19) . . . . ?
B3 B2 B6 B1A 140.0(3) . . . . ?
B3 B2 B1A B3 58.3(4) . . . 3_776 ?
B3 B2 B1A B4 98.2(2) . . . 3_776 ?
B3 B2 B1A B5 -1.1(4) . . . . ?
B3 B2 B1A B6 -36.9(2) . . . . ?
B3 B2 B1A O1 -147.3(5) . . . . ?
B3 B4 B5 B1 2.1(3) . . . . ?
B3 B4 B5 B2 -100.69(17) . . . 3_776 ?
B3 B4 B5 B3 -63.3(2) . . . 3_776 ?
B3 B4 B5 B6 37.74(15) . . . . ?
B3 B4 B5 Cl5 149.85(15) . . . . ?
B3 B4 B5 B1A -0.2(3) . . . . ?
B3 B4 B6 B1 -101.8(3) . . . . ?
B3 B4 B6 B2 -37.38(16) . . . . ?
B3 B4 B6 B5 -137.87(17) . . . . ?
B3 B4 B6 Cl6 111.02(19) . . . . ?
B3 B4 B6 B1A -100.3(3) . . . . ?
B3 B5 B6 B1 -37.6(3) 3_776 . . . ?
B3 B5 B6 B2 0.1(2) 3_776 . . . ?
B3 B5 B6 B3 63.5(2) 3_776 . . . ?
B3 B5 B6 B4 101.07(17) 3_776 . . . ?
B3 B5 B6 Cl6 -147.98(16) 3_776 . . . ?
B3 B5 B6 B1A -38.1(3) 3_776 . . . ?
B3 B5 B1A B2 100.8(4) 3_776 . . . ?
B3 B5 B1A B4 39.2(3) 3_776 . . 3_776 ?
B3 B5 B1A B6 137.1(3) 3_776 . . . ?
B3 B5 B1A O1 -113.9(6) 3_776 . . . ?
B3 B6 B1A B2 35.9(2) . . . . ?
B3 B6 B1A B3 -64.7(4) . . . 3_776 ?
B3 B6 B1A B4 -3.1(4) . . . 3_776 ?
B3 B6 B1A B5 -100.8(2) . . . . ?
B3 B6 B1A O1 146.6(5) . . . . ?
B4 B1 B2 B3 102.5(2) 3_776 . . . ?
B4 B1 B2 B5 40.1(3) 3_776 . . 3_776 ?
B4 B1 B2 B6 140.1(3) 3_776 . . . ?
B4 B1 B2 Cl2 -110.7(3) 3_776 . . . ?
B4 B1 B5 B2 -3.8(5) 3_776 . . 3_776 ?
B4 B1 B5 B3 35.3(3) 3_776 . . 3_776 ?
B4 B1 B5 B4 -67.3(4) 3_776 . . . ?
B4 B1 B5 B6 -103.8(4) 3_776 . . . ?
B4 B1 B5 Cl5 146.0(3) 3_776 . . . ?
B4 B1 B6 B2 -36.2(3) 3_776 . . . ?
B4 B1 B6 B3 2.1(5) 3_776 . . . ?
B4 B1 B6 B4 65.4(4) 3_776 . . . ?
B4 B1 B6 B5 102.2(5) 3_776 . . . ?
B4 B1 B6 Cl6 -147.5(3) 3_776 . . . ?
B4 B2 B3 B1 -0.7(3) 3_776 . . 3_776 ?
B4 B2 B3 B4 63.7(2) 3_776 . . . ?
B4 B2 B3 B5 -37.10(15) 3_776 . . 3_776 ?
B4 B2 B3 B6 100.95(17) 3_776 . . . ?
B4 B2 B3 Cl3 -147.39(15) 3_776 . . . ?
B4 B2 B3 B1A 0.8(3) 3_776 . . 3_776 ?
B4 B2 B6 B1 36.6(3) 3_776 . . . ?
B4 B2 B6 B3 -100.63(17) 3_776 . . . ?
B4 B2 B6 B4 -63.3(2) 3_776 . . . ?
B4 B2 B6 B5 0.1(2) 3_776 . . . ?
B4 B2 B6 Cl6 148.29(16) 3_776 . . . ?
B4 B2 B6 B1A 39.3(3) 3_776 . . . ?
B4 B2 B1A B3 -39.9(3) 3_776 . . 3_776 ?
B4 B2 B1A B5 -99.3(4) 3_776 . . . ?
B4 B2 B1A B6 -135.1(3) 3_776 . . . ?
B4 B2 B1A O1 114.5(6) 3_776 . . . ?
B4 B3 B6 B1 99.4(3) . . . . ?
B4 B3 B6 B2 138.20(17) . . . . ?
B4 B3 B6 B5 37.60(16) . . . . ?
B4 B3 B6 Cl6 -110.97(19) . . . . ?
B4 B3 B6 B1A 102.6(3) . . . . ?
B4 B5 B6 B1 -138.6(3) . . . . ?
B4 B5 B6 B2 -100.96(17) . . . . ?
B4 B5 B6 B3 -37.60(16) . . . . ?
B4 B5 B6 Cl6 110.95(19) . . . . ?
B4 B5 B6 B1A -139.1(3) . . . . ?
B4 B5 B1A B2 0.8(4) . . . . ?
B4 B5 B1A B3 -100.0(2) . . . 3_776 ?
B4 B5 B1A B4 -60.8(4) . . . 3_776 ?
B4 B5 B1A B6 37.1(2) . . . . ?
B4 B5 B1A O1 146.1(5) . . . . ?
B4 B6 B1A B2 99.7(2) . . . . ?
B4 B6 B1A B3 -0.9(4) . . . 3_776 ?
B4 B6 B1A B4 60.8(4) . . . 3_776 ?
B4 B6 B1A B5 -37.0(2) . . . . ?
B4 B6 B1A O1 -149.6(5) . . . . ?
B5 B1 B2 B3 2.7(5) . . . . ?
B5 B1 B2 B4 -99.8(5) . . . 3_776 ?
B5 B1 B2 B5 -59.7(5) . . . 3_776 ?
B5 B1 B2 B6 40.3(3) . . . . ?
B5 B1 B2 Cl2 149.5(3) . . . . ?
B5 B1 B6 B2 -138.3(3) . . . . ?
B5 B1 B6 B3 -100.0(2) . . . . ?
B5 B1 B6 B4 -36.7(3) . . . . ?
B5 B1 B6 Cl6 110.4(3) . . . . ?
B5 B2 B3 B1 36.4(3) 3_776 . . 3_776 ?
B5 B2 B3 B4 100.82(17) 3_776 . . . ?
B5 B2 B3 B6 138.05(17) 3_776 . . . ?
B5 B2 B3 Cl3 -110.29(18) 3_776 . . . ?
B5 B2 B3 B1A 37.9(3) 3_776 . . 3_776 ?
B5 B2 B6 B1 99.9(3) 3_776 . . . ?
B5 B2 B6 B3 -37.35(15) 3_776 . . . ?
B5 B2 B6 B4 0.0(2) 3_776 . . . ?
B5 B2 B6 B5 63.4(2) 3_776 . . . ?
B5 B2 B6 Cl6 -148.43(16) 3_776 . . . ?
B5 B2 B6 B1A 102.6(3) 3_776 . . . ?
B5 B2 B1A B3 -5.8(5) 3_776 . . 3_776 ?
B5 B2 B1A B4 34.1(3) 3_776 . . 3_776 ?
B5 B2 B1A B5 -65.2(4) 3_776 . . . ?
B5 B2 B1A B6 -101.0(2) 3_776 . . . ?
B5 B2 B1A O1 148.6(5) 3_776 . . . ?
B5 B3 B4 B1 -33.9(3) 3_776 . . 3_776 ?
B5 B3 B4 B2 -0.4(2) 3_776 . . 3_776 ?
B5 B3 B4 B5 63.0(2) 3_776 . . . ?
B5 B3 B4 B6 100.67(18) 3_776 . . . ?
B5 B3 B4 Cl4 -150.35(15) 3_776 . . . ?
B5 B3 B4 B1A -41.7(3) 3_776 . . 3_776 ?
B5 B3 B6 B1 -1.3(4) 3_776 . . . ?
B5 B3 B6 B2 37.49(15) 3_776 . . . ?
B5 B3 B6 B4 -100.72(17) 3_776 . . . ?
B5 B3 B6 B5 -63.1(2) 3_776 . . . ?
B5 B3 B6 Cl6 148.31(16) 3_776 . . . ?
B5 B3 B6 B1A 1.9(3) 3_776 . . . ?
B5 B4 B6 B1 36.0(3) . . . . ?
B5 B4 B6 B2 100.50(18) . . . . ?
B5 B4 B6 B3 137.87(17) . . . . ?
B5 B4 B6 Cl6 -111.11(18) . . . . ?
B5 B4 B6 B1A 37.6(3) . . . . ?
B5 B6 B1A B2 136.7(3) . . . . ?
B5 B6 B1A B3 36.1(2) . . . 3_776 ?
B5 B6 B1A B4 97.7(4) . . . 3_776 ?
B5 B6 B1A O1 -112.6(6) . . . . ?
B6 B1 B2 B3 -37.6(3) . . . . ?
B6 B1 B2 B4 -140.1(3) . . . 3_776 ?
B6 B1 B2 B5 -100.0(3) . . . 3_776 ?
B6 B1 B2 Cl2 109.2(3) . . . . ?
B6 B1 B5 B2 100.1(2) . . . 3_776 ?
B6 B1 B5 B3 139.1(3) . . . 3_776 ?
B6 B1 B5 B4 36.6(3) . . . . ?
B6 B1 B5 Cl5 -110.1(3) . . . . ?
B6 B2 B3 B1 -101.7(3) . . . 3_776 ?
B6 B2 B3 B4 -37.23(15) . . . . ?
B6 B2 B3 B5 -138.05(17) . . . 3_776 ?
B6 B2 B3 Cl3 111.66(18) . . . . ?
B6 B2 B3 B1A -100.1(3) . . . 3_776 ?
B6 B2 B1A B3 95.2(4) . . . 3_776 ?
B6 B2 B1A B4 135.1(3) . . . 3_776 ?
B6 B2 B1A B5 35.8(2) . . . . ?
B6 B2 B1A O1 -110.3(6) . . . . ?
B6 B3 B4 B1 -134.6(3) . . . 3_776 ?
B6 B3 B4 B2 -101.04(18) . . . 3_776 ?
B6 B3 B4 B5 -37.71(15) . . . . ?
B6 B3 B4 Cl4 108.98(18) . . . . ?
B6 B3 B4 B1A -142.4(3) . . . 3_776 ?
B6 B4 B5 B1 -35.7(3) . . . . ?
B6 B4 B5 B2 -138.44(17) . . . 3_776 ?
B6 B4 B5 B3 -101.06(18) . . . 3_776 ?
B6 B4 B5 Cl5 112.10(18) . . . . ?
B6 B4 B5 B1A -38.0(3) . . . . ?
B6 B5 B1A B2 -36.3(2) . . . . ?
B6 B5 B1A B3 -137.1(3) . . . 3_776 ?
B6 B5 B1A B4 -97.9(4) . . . 3_776 ?
B6 B5 B1A O1 109.0(6) . . . . ?
Cl1 B1 B2 B3 -148.6(4) . . . . ?
Cl1 B1 B2 B4 108.9(5) . . . 3_776 ?
Cl1 B1 B2 B5 149.0(4) . . . 3_776 ?
Cl1 B1 B2 B6 -111.0(5) . . . . ?
Cl1 B1 B2 Cl2 -1.8(7) . . . . ?
Cl1 B1 B5 B2 -148.3(4) . . . 3_776 ?
Cl1 B1 B5 B3 -109.3(5) . . . 3_776 ?
Cl1 B1 B5 B4 148.2(4) . . . . ?
Cl1 B1 B5 B6 111.6(5) . . . . ?
Cl1 B1 B5 Cl5 1.5(7) . . . . ?
Cl1 B1 B6 B2 110.4(5) . . . . ?
Cl1 B1 B6 B3 148.7(4) . . . . ?
Cl1 B1 B6 B4 -148.0(4) . . . . ?
Cl1 B1 B6 B5 -111.3(5) . . . . ?
Cl1 B1 B6 Cl6 -0.9(6) . . . . ?
Cl2 B2 B3 B1 147.1(3) . . . 3_776 ?
Cl2 B2 B3 B4 -148.49(15) . . . . ?
Cl2 B2 B3 B5 110.69(18) . . . 3_776 ?
Cl2 B2 B3 B6 -111.25(18) . . . . ?
Cl2 B2 B3 Cl3 0.4(3) . . . . ?
Cl2 B2 B3 B1A 148.6(3) . . . 3_776 ?
Cl2 B2 B6 B1 -111.3(4) . . . . ?
Cl2 B2 B6 B3 111.43(19) . . . . ?
Cl2 B2 B6 B4 148.80(16) . . . . ?
Cl2 B2 B6 B5 -147.82(16) . . . . ?
Cl2 B2 B6 Cl6 0.4(3) . . . . ?
Cl2 B2 B6 B1A -108.6(3) . . . . ?
Cl2 B2 B1A B3 -151.0(3) . . . 3_776 ?
Cl2 B2 B1A B4 -111.0(2) . . . 3_776 ?
Cl2 B2 B1A B5 149.6(2) . . . . ?
Cl2 B2 B1A B6 113.8(2) . . . . ?
Cl2 B2 B1A O1 3.5(7) . . . . ?
Cl3 B3 B4 B1 113.5(3) . . . 3_776 ?
Cl3 B3 B4 B2 147.12(16) . . . 3_776 ?
Cl3 B3 B4 B5 -149.55(15) . . . . ?
Cl3 B3 B4 B6 -111.84(18) . . . . ?
Cl3 B3 B4 Cl4 -2.9(2) . . . . ?
Cl3 B3 B4 B1A 105.8(3) . . . 3_776 ?
Cl3 B3 B6 B1 -150.1(3) . . . . ?
Cl3 B3 B6 B2 -111.2(2) . . . . ?
Cl3 B3 B6 B4 110.6(2) . . . . ?
Cl3 B3 B6 B5 148.17(17) . . . . ?
Cl3 B3 B6 Cl6 -0.4(3) . . . . ?
Cl3 B3 B6 B1A -146.8(3) . . . . ?
Cl4 B4 B5 B1 -145.1(3) . . . . ?
Cl4 B4 B5 B2 112.13(18) . . . 3_776 ?
Cl4 B4 B5 B3 149.51(15) . . . 3_776 ?
Cl4 B4 B5 B6 -109.44(18) . . . . ?
Cl4 B4 B5 Cl5 2.7(2) . . . . ?
Cl4 B4 B5 B1A -147.4(3) . . . . ?
Cl4 B4 B6 B1 146.3(3) . . . . ?
Cl4 B4 B6 B2 -149.21(16) . . . . ?
Cl4 B4 B6 B3 -111.83(19) . . . . ?
Cl4 B4 B6 B5 110.29(18) . . . . ?
Cl4 B4 B6 Cl6 -0.8(2) . . . . ?
Cl4 B4 B6 B1A 147.9(3) . . . . ?
Cl5 B5 B6 B1 111.8(4) . . . . ?
Cl5 B5 B6 B2 149.53(16) . . . . ?
Cl5 B5 B6 B3 -147.11(17) . . . . ?
Cl5 B5 B6 B4 -109.5(2) . . . . ?
Cl5 B5 B6 Cl6 1.4(3) . . . . ?
Cl5 B5 B6 B1A 111.3(3) . . . . ?
Cl5 B5 B1A B2 -149.0(2) . . . . ?
Cl5 B5 B1A B3 110.1(2) . . . 3_776 ?
Cl5 B5 B1A B4 149.3(2) . . . 3_776 ?
Cl5 B5 B1A B6 -112.8(2) . . . . ?
Cl5 B5 B1A O1 -3.8(7) . . . . ?
Cl6 B6 B1A B2 -111.0(2) . . . . ?
Cl6 B6 B1A B3 148.3(2) . . . 3_776 ?
Cl6 B6 B1A B4 -150.0(2) . . . 3_776 ?
Cl6 B6 B1A B5 112.2(2) . . . . ?
Cl6 B6 B1A O1 -0.4(7) . . . . ?
B1A B2 B3 B4 1.0(3) . . . . ?
B1A B2 B3 B5 -99.8(3) . . . 3_776 ?
B1A B2 B3 B6 38.3(3) . . . . ?
B1A B2 B3 Cl3 149.9(3) . . . . ?
B1A B2 B3 B1A -61.9(5) . . . 3_776 ?
B1A B2 B6 B3 -140.0(3) . . . . ?
B1A B2 B6 B4 -102.6(3) . . . . ?
B1A B2 B6 B5 -39.2(3) . . . . ?
B1A B2 B6 Cl6 109.0(3) . . . . ?
B1A B3 B4 B2 41.3(3) 3_776 . . 3_776 ?
B1A B3 B4 B5 104.7(3) 3_776 . . . ?
B1A B3 B4 B6 142.4(3) 3_776 . . . ?
B1A B3 B4 Cl4 -108.6(3) 3_776 . . . ?
B1A B3 B6 B2 104.6(3) 3_776 . . . ?
B1A B3 B6 B4 -33.6(3) 3_776 . . . ?
B1A B3 B6 B5 4.0(3) 3_776 . . . ?
B1A B3 B6 Cl6 -144.6(3) 3_776 . . . ?
B1A B3 B6 B1A 69.0(5) 3_776 . . . ?
B1A B4 B5 B2 -35.3(3) 3_776 . . 3_776 ?
B1A B4 B5 B3 2.1(3) 3_776 . . 3_776 ?
B1A B4 B5 B6 103.1(3) 3_776 . . . ?
B1A B4 B5 Cl5 -144.8(3) 3_776 . . . ?
B1A B4 B5 B1A 65.2(5) 3_776 . . . ?
B1A B4 B6 B2 -2.3(3) 3_776 . . . ?
B1A B4 B6 B3 35.1(3) 3_776 . . . ?
B1A B4 B6 B5 -102.8(3) 3_776 . . . ?
B1A B4 B6 Cl6 146.1(3) 3_776 . . . ?
B1A B4 B6 B1A -65.2(4) 3_776 . . . ?
B1A B5 B6 B2 38.2(3) . . . . ?
B1A B5 B6 B3 101.5(3) . . . . ?
B1A B5 B6 B4 139.1(3) . . . . ?
B1A B5 B6 Cl6 -109.9(3) . . . . ?

_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_b12br11ohpph42
_database_code_depnum_ccdc_archive 'CCDC 1057640'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-05-22
_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         '2(C24 H20 P), B12 Br11 O'
_chemical_formula_sum            'C48 H40 B12 Br11 O P2'
_chemical_formula_weight         1703.47
_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'
Br Br -0.2901 2.4595 '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                   12.8817(2)
_cell_length_b                   12.3453(2)
_cell_length_c                   19.1305(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.9073(19)
_cell_angle_gamma                90
_cell_volume                     2878.14(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6757
_cell_measurement_temperature    120
_cell_measurement_theta_max      28.7520
_cell_measurement_theta_min      2.3620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.749
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1622
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14897
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.843
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.439
_diffrn_reflns_theta_min         2.00
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -10.00   81.00   1.0000  161.5100
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000  120.0000 91

#__ type_ start__ end____ width___ exp.time_
  2 omega  -11.00   73.00   1.0000  161.5100
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000  -30.0000 84

#__ type_ start__ end____ width___ exp.time_
  3 omega   25.00   51.00   1.0000  161.5100
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega    3.00   46.00   1.0000  161.5100
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000   30.0000 43
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0072995000
_diffrn_orient_matrix_UB_12      -0.0399365000
_diffrn_orient_matrix_UB_13      -0.0278491000
_diffrn_orient_matrix_UB_21      0.0389408000
_diffrn_orient_matrix_UB_22      -0.0336239000
_diffrn_orient_matrix_UB_23      0.0254518000
_diffrn_orient_matrix_UB_31      -0.0426470000
_diffrn_orient_matrix_UB_32      -0.0239122000
_diffrn_orient_matrix_UB_33      0.0106713000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5412
_reflns_number_total             6727
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.659
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         6727
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0284
_refine_ls_restrained_S_all      1.018
_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)+(0.0193P)²+2.4757P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0523
_refine_ls_wR_factor_ref         0.0570
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The oxygen atom is disordered over two positions with occupancies of 50%.This 
 also lead to a disorder of the boron atom B1 bond to the oxygen atom.
 The oxygen atom and the respective bromine atom were refined isotropically.
 The hydrogen atom of the hydroxy group has not been included in the refinement.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: B1A(0.5) B1B(0.5) O1(0.5) Br1(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24)
;
_atom_sites_solution_hydrogens   geom
_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 0.6228(2) 0.5161(2) 0.35151(14) 0.0163(6) Uani 1 1 d . . . . .
C2 C 0.5599(2) 0.4219(2) 0.33478(16) 0.0231(6) Uani 1 1 d . . . . .
H2 H 0.5900 0.3547 0.3561 0.028 Uiso 1 1 calc R . . . .
C3 C 0.4530(2) 0.4272(2) 0.28665(16) 0.0228(6) Uani 1 1 d . . . . .
H3 H 0.4097 0.3633 0.2752 0.027 Uiso 1 1 calc R . . . .
C4 C 0.4095(2) 0.5244(2) 0.25540(15) 0.0192(6) Uani 1 1 d . . . . .
H4 H 0.3376 0.5267 0.2206 0.023 Uiso 1 1 calc R . . . .
C5 C 0.4697(2) 0.6183(2) 0.27442(15) 0.0202(6) Uani 1 1 d . . . . .
H5 H 0.4382 0.6857 0.2544 0.024 Uiso 1 1 calc R . . . .
C6 C 0.5762(2) 0.6145(2) 0.32281(15) 0.0191(6) Uani 1 1 d . . . . .
H6 H 0.6175 0.6795 0.3364 0.023 Uiso 1 1 calc R . . . .
C7 C 0.8160(2) 0.3813(2) 0.39253(15) 0.0206(6) Uani 1 1 d . . . . .
C8 C 0.7897(2) 0.3454(3) 0.31956(17) 0.0317(8) Uani 1 1 d . . . . .
H8 H 0.7459 0.3892 0.2802 0.038 Uiso 1 1 calc R . . . .
C9 C 0.8273(3) 0.2466(3) 0.30483(19) 0.0423(10) Uani 1 1 d . . . . .
H9 H 0.8089 0.2221 0.2552 0.051 Uiso 1 1 calc R . . . .
C10 C 0.8917(3) 0.1829(3) 0.36158(19) 0.0426(9) Uani 1 1 d . . . . .
H10 H 0.9179 0.1150 0.3509 0.051 Uiso 1 1 calc R . . . .
C11 C 0.9180(3) 0.2176(3) 0.43389(18) 0.0351(8) Uani 1 1 d . . . . .
H11 H 0.9620 0.1732 0.4728 0.042 Uiso 1 1 calc R . . . .
C12 C 0.8806(2) 0.3168(3) 0.44999(16) 0.0239(7) Uani 1 1 d . . . . .
H12 H 0.8989 0.3406 0.4997 0.029 Uiso 1 1 calc R . . . .
C13 C 0.7747(2) 0.5188(2) 0.50592(14) 0.0154(6) Uani 1 1 d . . . . .
C14 C 0.7026(2) 0.4584(2) 0.53115(17) 0.0243(7) Uani 1 1 d . . . . .
H14 H 0.6492 0.4133 0.4980 0.029 Uiso 1 1 calc R . . . .
C15 C 0.7092(3) 0.4645(2) 0.60462(17) 0.0292(7) Uani 1 1 d . . . . .
H15 H 0.6607 0.4230 0.6223 0.035 Uiso 1 1 calc R . . . .
C16 C 0.7867(3) 0.5313(3) 0.65241(16) 0.0274(7) Uani 1 1 d . . . . .
H16 H 0.7901 0.5364 0.7027 0.033 Uiso 1 1 calc R . . . .
C17 C 0.8586(2) 0.5902(3) 0.62781(16) 0.0251(7) Uani 1 1 d . . . . .
H17 H 0.9118 0.6352 0.6612 0.030 Uiso 1 1 calc R . . . .
C18 C 0.8536(2) 0.5840(3) 0.55440(15) 0.0215(6) Uani 1 1 d . . . . .
H18 H 0.9037 0.6240 0.5374 0.026 Uiso 1 1 calc R . . . .
C19 C 0.8405(2) 0.6177(2) 0.38761(15) 0.0186(6) Uani 1 1 d . . . . .
C20 C 0.9147(2) 0.5968(3) 0.34949(16) 0.0274(7) Uani 1 1 d . . . . .
H20 H 0.9256 0.5248 0.3357 0.033 Uiso 1 1 calc R . . . .
C21 C 0.9721(3) 0.6816(3) 0.33198(18) 0.0362(9) Uani 1 1 d . . . . .
H21 H 1.0228 0.6674 0.3065 0.043 Uiso 1 1 calc R . . . .
C22 C 0.9564(2) 0.7864(3) 0.35107(17) 0.0339(8) Uani 1 1 d . . . . .
H22 H 0.9969 0.8439 0.3393 0.041 Uiso 1 1 calc R . . . .
C23 C 0.8814(2) 0.8083(3) 0.38762(16) 0.0265(7) Uani 1 1 d . . . . .
H23 H 0.8694 0.8808 0.3998 0.032 Uiso 1 1 calc R . . . .
C24 C 0.8238(2) 0.7241(3) 0.40638(15) 0.0215(6) Uani 1 1 d . . . . .
H24 H 0.7733 0.7389 0.4319 0.026 Uiso 1 1 calc R . . . .
P1 P 0.76356(5) 0.50933(6) 0.41034(4) 0.01581(15) Uani 1 1 d . . . . .
B1A B 0.5854(7) 1.1026(7) 0.4692(5) 0.017(2) Uiso 0.5 1 d . . P A 2
B1B B 0.5750(6) 1.0815(7) 0.4766(4) 0.0104(19) Uiso 0.5 1 d . . P A 1
B2 B 0.4406(2) 1.0643(3) 0.41842(17) 0.0195(7) Uani 1 1 d . . . . .
B3 B 0.4104(2) 0.9262(3) 0.43214(18) 0.0205(7) Uani 1 1 d . . . . .
B4 B 0.5307(2) 0.8670(3) 0.49574(18) 0.0214(7) Uani 1 1 d . . . . .
B5 B 0.6347(2) 0.9690(3) 0.52101(18) 0.0208(7) Uani 1 1 d . . . . .
B6 B 0.5424(3) 0.9625(3) 0.42861(18) 0.0219(7) Uani 1 1 d . . . . .
O1 O 0.6473(6) 1.1820(8) 0.4465(5) 0.014(2) Uiso 0.5 1 d . . P A 2
Br1 Br 0.66979(12) 1.17983(11) 0.44672(7) 0.0199(2) Uani 0.5 1 d . . P A 1
Br2 Br 0.37356(2) 1.14046(2) 0.32516(2) 0.02361(7) Uani 1 1 d . . . . .
Br3 Br 0.30905(2) 0.83792(3) 0.35475(2) 0.02625(8) Uani 1 1 d . . . . .
Br4 Br 0.56574(2) 0.71374(3) 0.49289(2) 0.02600(8) Uani 1 1 d . . . . .
Br5 Br 0.79071(2) 0.93411(3) 0.54460(2) 0.03151(9) Uani 1 1 d . . . . .
Br6 Br 0.59124(2) 0.92376(3) 0.34474(2) 0.02840(8) Uani 1 1 d . . . . .


_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 1.394(4) . ?
C1 C6 1.388(4) . ?
C1 P1 1.800(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.388(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(4) . ?
C7 C12 1.393(4) . ?
C7 P1 1.795(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.375(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.379(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(4) . ?
C13 C18 1.389(4) . ?
C13 P1 1.791(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.386(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.375(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.387(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.401(4) . ?
C19 C24 1.397(4) . ?
C19 P1 1.800(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.377(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.391(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(4) . ?
C24 H24 0.9500 . ?
B1A B2 1.864(9) . ?
B1A B3 1.904(9) 3_676 ?
B1A B4 1.864(9) 3_676 ?
B1A B5 1.923(10) . ?
B1A B6 1.904(9) . ?
B1A O1 1.418(13) . ?
B1B B2 1.742(8) . ?
B1B B3 1.697(8) 3_676 ?
B1B B4 1.734(8) 3_676 ?
B1B B5 1.678(9) . ?
B1B B6 1.711(8) . ?
B1B Br1 1.935(9) . ?
B2 B3 1.786(5) . ?
B2 B4 1.778(4) 3_676 ?
B2 B5 1.784(5) 3_676 ?
B2 B6 1.781(4) . ?
B2 Br2 1.953(3) . ?
B3 B4 1.787(4) . ?
B3 B5 1.775(5) 3_676 ?
B3 B6 1.781(5) . ?
B3 Br3 1.957(3) . ?
B4 B5 1.788(5) . ?
B4 B6 1.786(5) . ?
B4 Br4 1.950(3) . ?
B5 B6 1.784(4) . ?
B5 Br5 1.959(3) . ?
B6 Br6 1.962(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 P1 119.8(2) . . ?
C6 C1 C2 119.7(2) . . ?
C6 C1 P1 120.4(2) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.4(3) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0(3) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.1(3) . . ?
C5 C6 H6 120.0 . . ?
C8 C7 P1 119.0(2) . . ?
C12 C7 C8 119.8(3) . . ?
C12 C7 P1 121.2(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 120.3 . . ?
C11 C12 C7 119.4(3) . . ?
C11 C12 H12 120.3 . . ?
C14 C13 P1 118.5(2) . . ?
C18 C13 C14 120.3(2) . . ?
C18 C13 P1 121.3(2) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.8(3) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.7(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.1(3) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.5(3) . . ?
C17 C18 H18 120.3 . . ?
C20 C19 P1 120.7(2) . . ?
C24 C19 C20 119.7(3) . . ?
C24 C19 P1 119.6(2) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.7(3) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.1(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C19 C24 H24 120.1 . . ?
C23 C24 C19 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C1 P1 C19 109.68(13) . . ?
C7 P1 C1 106.68(13) . . ?
C7 P1 C19 109.74(13) . . ?
C13 P1 C1 111.52(12) . . ?
C13 P1 C7 109.90(13) . . ?
C13 P1 C19 109.27(13) . . ?
B2 B1A B3 99.9(4) . 3_676 ?
B2 B1A B4 57.0(3) . 3_676 ?
B2 B1A B5 99.1(4) . . ?
B2 B1A B6 56.4(3) . . ?
B3 B1A B5 55.3(3) 3_676 . ?
B4 B1A B3 56.6(3) 3_676 3_676 ?
B4 B1A B5 99.0(5) 3_676 . ?
B4 B1A B6 99.7(4) 3_676 . ?
B6 B1A B3 98.4(5) . 3_676 ?
B6 B1A B5 55.6(3) . . ?
O1 B1A B2 125.7(7) . . ?
O1 B1A B3 126.5(7) . 3_676 ?
O1 B1A B4 124.6(7) . 3_676 ?
O1 B1A B5 128.8(6) . . ?
O1 B1A B6 128.4(7) . . ?
B2 B1B Br1 118.7(5) . . ?
B3 B1B B2 114.0(5) 3_676 . ?
B3 B1B B4 62.8(3) 3_676 3_676 ?
B3 B1B B6 115.5(5) 3_676 . ?
B3 B1B Br1 118.0(4) 3_676 . ?
B4 B1B B2 61.5(3) 3_676 . ?
B4 B1B Br1 119.5(5) 3_676 . ?
B5 B1B B2 114.9(5) . . ?
B5 B1B B3 63.5(3) . 3_676 ?
B5 B1B B4 115.2(5) . 3_676 ?
B5 B1B B6 63.5(3) . . ?
B5 B1B Br1 116.0(4) . . ?
B6 B1B B2 62.1(3) . . ?
B6 B1B B4 113.5(5) . 3_676 ?
B6 B1B Br1 116.7(4) . . ?
B1A B2 Br2 115.2(3) . . ?
B1B B2 B3 104.0(3) . . ?
B1B B2 B4 59.0(3) . 3_676 ?
B1B B2 B5 104.5(3) . 3_676 ?
B1B B2 B6 58.1(3) . . ?
B1B B2 Br2 125.3(4) . . ?
B3 B2 B1A 113.2(3) . . ?
B3 B2 Br2 122.75(19) . . ?
B4 B2 B1A 61.5(3) 3_676 . ?
B4 B2 B3 108.1(2) 3_676 . ?
B4 B2 B5 60.29(18) 3_676 3_676 ?
B4 B2 B6 108.1(2) 3_676 . ?
B4 B2 Br2 120.8(2) 3_676 . ?
B5 B2 B1A 112.5(3) 3_676 . ?
B5 B2 B3 59.65(19) 3_676 . ?
B5 B2 Br2 122.14(18) 3_676 . ?
B6 B2 B1A 62.9(3) . . ?
B6 B2 B3 59.90(19) . . ?
B6 B2 B5 107.6(2) . 3_676 ?
B6 B2 Br2 122.1(2) . . ?
B1A B3 Br3 116.3(3) 3_676 . ?
B1B B3 B2 104.3(3) 3_676 . ?
B1B B3 B4 59.6(3) 3_676 . ?
B1B B3 B5 57.8(3) 3_676 3_676 ?
B1B B3 B6 105.3(3) 3_676 . ?
B1B B3 Br3 124.8(3) 3_676 . ?
B2 B3 B1A 112.7(3) . 3_676 ?
B2 B3 B4 108.0(2) . . ?
B2 B3 Br3 122.9(2) . . ?
B4 B3 B1A 60.6(3) . 3_676 ?
B4 B3 Br3 120.4(2) . . ?
B5 B3 B1A 62.9(3) 3_676 3_676 ?
B5 B3 B2 60.11(19) 3_676 . ?
B5 B3 B4 107.9(2) 3_676 . ?
B5 B3 B6 108.0(2) 3_676 . ?
B5 B3 Br3 122.69(19) 3_676 . ?
B6 B3 B1A 111.3(3) . 3_676 ?
B6 B3 B2 59.92(19) . . ?
B6 B3 B4 60.06(18) . . ?
B6 B3 Br3 121.5(2) . . ?
B1A B4 Br4 115.2(3) 3_676 . ?
B1B B4 B2 59.5(3) 3_676 3_676 ?
B1B B4 B3 57.6(3) 3_676 . ?
B1B B4 B5 104.6(3) 3_676 . ?
B1B B4 B6 103.6(3) 3_676 . ?
B1B B4 Br4 125.2(4) 3_676 . ?
B2 B4 B1A 61.5(3) 3_676 3_676 ?
B2 B4 B3 108.0(2) 3_676 . ?
B2 B4 B5 60.02(18) 3_676 . ?
B2 B4 B6 107.9(2) 3_676 . ?
B2 B4 Br4 120.6(2) 3_676 . ?
B3 B4 B1A 62.8(3) . 3_676 ?
B3 B4 B5 107.7(2) . . ?
B3 B4 Br4 122.4(2) . . ?
B5 B4 B1A 112.3(3) . 3_676 ?
B5 B4 Br4 122.07(19) . . ?
B6 B4 B1A 113.0(3) . 3_676 ?
B6 B4 B3 59.80(18) . . ?
B6 B4 B5 59.88(19) . . ?
B6 B4 Br4 123.1(2) . . ?
B1A B5 Br5 116.8(3) . . ?
B1B B5 B2 105.2(3) . 3_676 ?
B1B B5 B3 58.8(3) . 3_676 ?
B1B B5 B4 105.4(3) . . ?
B1B B5 B6 59.1(3) . . ?
B1B B5 Br5 124.5(3) . . ?
B2 B5 B1A 112.0(3) 3_676 . ?
B2 B5 B4 59.69(19) 3_676 . ?
B2 B5 B6 107.8(2) 3_676 . ?
B2 B5 Br5 122.2(2) 3_676 . ?
B3 B5 B1A 61.8(3) 3_676 . ?
B3 B5 B2 60.25(19) 3_676 3_676 ?
B3 B5 B4 108.1(2) 3_676 . ?
B3 B5 B6 108.1(2) 3_676 . ?
B3 B5 Br5 121.55(19) 3_676 . ?
B4 B5 B1A 111.8(3) . . ?
B4 B5 Br5 122.0(2) . . ?
B6 B5 B1A 61.7(3) . . ?
B6 B5 B4 59.98(19) . . ?
B6 B5 Br5 121.5(2) . . ?
B1A B6 Br6 115.3(3) . . ?
B1B B6 B2 59.8(3) . . ?
B1B B6 B3 105.5(3) . . ?
B1B B6 B4 104.1(3) . . ?
B1B B6 B5 57.4(3) . . ?
B1B B6 Br6 124.0(3) . . ?
B2 B6 B1A 60.7(3) . . ?
B2 B6 B4 108.2(2) . . ?
B2 B6 B5 107.9(2) . . ?
B2 B6 Br6 120.1(2) . . ?
B3 B6 B1A 111.6(3) . . ?
B3 B6 B2 60.18(19) . . ?
B3 B6 B4 60.14(18) . . ?
B3 B6 B5 108.2(2) . . ?
B3 B6 Br6 122.2(2) . . ?
B4 B6 B1A 112.8(3) . . ?
B4 B6 Br6 123.5(2) . . ?
B5 B6 B1A 62.8(3) . . ?
B5 B6 B4 60.13(19) . . ?
B5 B6 Br6 122.27(19) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.3(4) . . . . ?
C2 C1 C6 C5 -3.6(4) . . . . ?
C2 C1 P1 C7 33.2(3) . . . . ?
C2 C1 P1 C13 -86.8(2) . . . . ?
C2 C1 P1 C19 152.0(2) . . . . ?
C2 C3 C4 C5 -3.2(4) . . . . ?
C3 C4 C5 C6 2.7(4) . . . . ?
C4 C5 C6 C1 0.7(4) . . . . ?
C6 C1 C2 C3 3.1(4) . . . . ?
C6 C1 P1 C7 -146.9(2) . . . . ?
C6 C1 P1 C13 93.1(2) . . . . ?
C6 C1 P1 C19 -28.1(3) . . . . ?
C7 C8 C9 C10 -0.5(5) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
C8 C7 P1 C1 42.4(3) . . . . ?
C8 C7 P1 C13 163.5(2) . . . . ?
C8 C7 P1 C19 -76.3(3) . . . . ?
C8 C9 C10 C11 0.6(6) . . . . ?
C9 C10 C11 C12 -0.4(6) . . . . ?
C10 C11 C12 C7 0.1(5) . . . . ?
C12 C7 C8 C9 0.2(5) . . . . ?
C12 C7 P1 C1 -136.5(2) . . . . ?
C12 C7 P1 C13 -15.4(3) . . . . ?
C12 C7 P1 C19 104.8(2) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C14 C13 C18 C17 -1.2(4) . . . . ?
C14 C13 P1 C1 44.5(3) . . . . ?
C14 C13 P1 C7 -73.6(2) . . . . ?
C14 C13 P1 C19 165.9(2) . . . . ?
C14 C15 C16 C17 -1.2(5) . . . . ?
C15 C16 C17 C18 0.6(5) . . . . ?
C16 C17 C18 C13 0.6(4) . . . . ?
C18 C13 C14 C15 0.6(4) . . . . ?
C18 C13 P1 C1 -135.9(2) . . . . ?
C18 C13 P1 C7 106.0(2) . . . . ?
C18 C13 P1 C19 -14.4(3) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C19 C24 C23 -0.5(4) . . . . ?
C20 C19 P1 C1 -106.5(2) . . . . ?
C20 C19 P1 C7 10.4(3) . . . . ?
C20 C19 P1 C13 131.0(2) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
C21 C22 C23 C24 1.4(5) . . . . ?
C22 C23 C24 C19 -0.8(4) . . . . ?
C24 C19 C20 C21 1.1(4) . . . . ?
C24 C19 P1 C1 71.7(2) . . . . ?
C24 C19 P1 C7 -171.4(2) . . . . ?
C24 C19 P1 C13 -50.8(2) . . . . ?
P1 C1 C2 C3 -177.0(2) . . . . ?
P1 C1 C6 C5 176.5(2) . . . . ?
P1 C7 C8 C9 -178.8(3) . . . . ?
P1 C7 C12 C11 178.9(2) . . . . ?
P1 C13 C14 C15 -179.7(2) . . . . ?
P1 C13 C18 C17 179.1(2) . . . . ?
P1 C19 C20 C21 179.3(2) . . . . ?
P1 C19 C24 C23 -178.7(2) . . . . ?
B1A B2 B3 B1A 67.5(5) . . . 3_676 ?
B1A B2 B3 B4 2.6(4) . . . . ?
B1A B2 B3 B5 103.4(3) . . . 3_676 ?
B1A B2 B3 B6 -34.8(3) . . . . ?
B1A B2 B3 Br3 -144.9(3) . . . . ?
B1A B2 B6 B3 144.0(4) . . . . ?
B1A B2 B6 B4 106.5(4) . . . . ?
B1A B2 B6 B5 42.8(4) . . . . ?
B1A B2 B6 Br6 -103.9(4) . . . . ?
B1A B3 B4 B2 -43.1(4) 3_676 . . 3_676 ?
B1A B3 B4 B5 -106.5(4) 3_676 . . . ?
B1A B3 B4 B6 -143.8(4) 3_676 . . . ?
B1A B3 B4 Br4 103.9(4) 3_676 . . . ?
B1A B3 B6 B1A -71.2(5) 3_676 . . . ?
B1A B3 B6 B2 -104.7(4) 3_676 . . . ?
B1A B3 B6 B4 33.5(3) 3_676 . . . ?
B1A B3 B6 B5 -4.0(4) 3_676 . . . ?
B1A B3 B6 Br6 146.5(3) 3_676 . . . ?
B1A B4 B5 B1A -69.7(5) 3_676 . . . ?
B1A B4 B5 B2 33.7(3) 3_676 . . 3_676 ?
B1A B4 B5 B3 -3.6(4) 3_676 . . 3_676 ?
B1A B4 B5 B6 -104.5(4) 3_676 . . . ?
B1A B4 B5 Br5 145.0(3) 3_676 . . . ?
B1A B4 B6 B1A 67.8(5) 3_676 . . . ?
B1A B4 B6 B2 2.7(4) 3_676 . . . ?
B1A B4 B6 B3 -34.8(3) 3_676 . . . ?
B1A B4 B6 B5 103.3(4) 3_676 . . . ?
B1A B4 B6 Br6 -145.7(3) 3_676 . . . ?
B1A B5 B6 B2 -41.8(3) . . . . ?
B1A B5 B6 B3 -105.5(4) . . . . ?
B1A B5 B6 B4 -143.0(3) . . . . ?
B1A B5 B6 Br6 104.1(4) . . . . ?
B1B B2 B3 B1B 60.3(5) . . . 3_676 ?
B1B B2 B3 B4 -1.9(4) . . . . ?
B1B B2 B3 B5 98.8(3) . . . 3_676 ?
B1B B2 B3 B6 -39.3(3) . . . . ?
B1B B2 B3 Br3 -149.4(3) . . . . ?
B1B B2 B6 B3 133.6(4) . . . . ?
B1B B2 B6 B4 96.1(4) . . . . ?
B1B B2 B6 B5 32.5(4) . . . . ?
B1B B2 B6 Br6 -114.3(4) . . . . ?
B1B B3 B4 B2 -33.0(4) 3_676 . . 3_676 ?
B1B B3 B4 B5 -96.4(4) 3_676 . . . ?
B1B B3 B4 B6 -133.7(4) 3_676 . . . ?
B1B B3 B4 Br4 114.0(4) 3_676 . . . ?
B1B B3 B6 B1B -57.4(6) 3_676 . . . ?
B1B B3 B6 B2 -97.9(4) 3_676 . . . ?
B1B B3 B6 B4 40.3(3) 3_676 . . . ?
B1B B3 B6 B5 2.7(4) 3_676 . . . ?
B1B B3 B6 Br6 153.2(3) 3_676 . . . ?
B1B B4 B5 B1B -58.1(5) 3_676 . . . ?
B1B B4 B5 B2 40.8(3) 3_676 . . 3_676 ?
B1B B4 B5 B3 3.5(4) 3_676 . . 3_676 ?
B1B B4 B5 B6 -97.4(3) 3_676 . . . ?
B1B B4 B5 Br5 152.0(3) 3_676 . . . ?
B1B B4 B6 B1B 61.0(5) 3_676 . . . ?
B1B B4 B6 B2 -1.4(4) 3_676 . . . ?
B1B B4 B6 B3 -38.9(3) 3_676 . . . ?
B1B B4 B6 B5 99.2(3) 3_676 . . . ?
B1B B4 B6 Br6 -149.8(3) 3_676 . . . ?
B1B B5 B6 B2 -33.4(4) . . . . ?
B1B B5 B6 B3 -97.1(4) . . . . ?
B1B B5 B6 B4 -134.6(4) . . . . ?
B1B B5 B6 Br6 112.5(4) . . . . ?
B2 B1B B5 B2 -65.6(5) . . . 3_676 ?
B2 B1B B5 B3 -105.6(5) . . . 3_676 ?
B2 B1B B5 B4 -3.5(5) . . . . ?
B2 B1B B5 B6 36.2(3) . . . . ?
B2 B1B B5 Br5 145.4(3) . . . . ?
B2 B1B B6 B3 -40.7(3) . . . . ?
B2 B1B B6 B4 -103.1(3) . . . . ?
B2 B1B B6 B5 -142.7(4) . . . . ?
B2 B1B B6 Br6 107.9(3) . . . . ?
B2 B3 B4 B1A 106.5(4) . . . 3_676 ?
B2 B3 B4 B1B 96.4(4) . . . 3_676 ?
B2 B3 B4 B2 63.4(3) . . . 3_676 ?
B2 B3 B4 B5 0.0(3) . . . . ?
B2 B3 B4 B6 -37.3(2) . . . . ?
B2 B3 B4 Br4 -149.6(2) . . . . ?
B2 B3 B6 B1A 33.5(3) . . . . ?
B2 B3 B6 B1B 40.5(3) . . . . ?
B2 B3 B6 B4 138.2(2) . . . . ?
B2 B3 B6 B5 100.6(2) . . . . ?
B2 B3 B6 Br6 -108.8(3) . . . . ?
B2 B4 B5 B1A -103.5(3) 3_676 . . . ?
B2 B4 B5 B1B -98.9(3) 3_676 . . . ?
B2 B4 B5 B3 -37.3(2) 3_676 . . 3_676 ?
B2 B4 B5 B6 -138.2(2) 3_676 . . . ?
B2 B4 B5 Br5 111.2(2) 3_676 . . . ?
B2 B4 B6 B1A 1.8(4) 3_676 . . . ?
B2 B4 B6 B1B -0.8(4) 3_676 . . . ?
B2 B4 B6 B2 -63.3(3) 3_676 . . . ?
B2 B4 B6 B3 -100.8(2) 3_676 . . . ?
B2 B4 B6 B5 37.3(2) 3_676 . . . ?
B2 B4 B6 Br6 148.3(2) 3_676 . . . ?
B2 B5 B6 B1A 105.9(4) 3_676 . . . ?
B2 B5 B6 B1B 97.5(4) 3_676 . . . ?
B2 B5 B6 B2 64.0(3) 3_676 . . . ?
B2 B5 B6 B3 0.4(3) 3_676 . . . ?
B2 B5 B6 B4 -37.1(2) 3_676 . . . ?
B2 B5 B6 Br6 -150.1(2) 3_676 . . . ?
B3 B1A B2 B3 -59.9(4) 3_676 . . . ?
B3 B1A B2 B4 38.8(3) 3_676 . . 3_676 ?
B3 B1A B2 B5 5.4(5) 3_676 . . 3_676 ?
B3 B1A B2 B6 -93.5(4) 3_676 . . . ?
B3 B1A B2 Br2 151.7(3) 3_676 . . . ?
B3 B1B B2 B3 -67.1(5) 3_676 . . . ?
B3 B1B B2 B4 35.9(4) 3_676 . . 3_676 ?
B3 B1B B2 B5 -5.3(5) 3_676 . . 3_676 ?
B3 B1B B2 B6 -107.3(6) 3_676 . . . ?
B3 B1B B2 Br2 143.7(4) 3_676 . . . ?
B3 B1B B5 B2 40.0(3) 3_676 . . 3_676 ?
B3 B1B B5 B4 102.1(3) 3_676 . . . ?
B3 B1B B5 B6 141.8(4) 3_676 . . . ?
B3 B1B B5 Br5 -109.0(3) 3_676 . . . ?
B3 B1B B6 B2 104.9(5) 3_676 . . . ?
B3 B1B B6 B3 64.2(5) 3_676 . . . ?
B3 B1B B6 B4 1.8(5) 3_676 . . . ?
B3 B1B B6 B5 -37.8(3) 3_676 . . . ?
B3 B1B B6 Br6 -147.2(3) 3_676 . . . ?
B3 B2 B6 B1A -144.0(4) . . . . ?
B3 B2 B6 B1B -133.6(4) . . . . ?
B3 B2 B6 B4 -37.5(2) . . . . ?
B3 B2 B6 B5 -101.1(3) . . . . ?
B3 B2 B6 Br6 112.1(2) . . . . ?
B3 B4 B5 B1A -2.5(4) . . . . ?
B3 B4 B5 B1B 2.0(4) . . . . ?
B3 B4 B5 B2 100.9(2) . . . 3_676 ?
B3 B4 B5 B3 63.6(3) . . . 3_676 ?
B3 B4 B5 B6 -37.3(2) . . . . ?
B3 B4 B5 Br5 -147.8(2) . . . . ?
B3 B4 B6 B1A 102.6(3) . . . . ?
B3 B4 B6 B1B 99.9(3) . . . . ?
B3 B4 B6 B2 37.5(2) . . . . ?
B3 B4 B6 B5 138.1(2) . . . . ?
B3 B4 B6 Br6 -110.9(2) . . . . ?
B3 B5 B6 B1A 42.2(4) 3_676 . . . ?
B3 B5 B6 B1B 33.8(4) 3_676 . . . ?
B3 B5 B6 B2 0.4(3) 3_676 . . . ?
B3 B5 B6 B3 -63.3(3) 3_676 . . . ?
B3 B5 B6 B4 -100.8(3) 3_676 . . . ?
B3 B5 B6 Br6 146.3(2) 3_676 . . . ?
B4 B1A B2 B3 -98.7(3) 3_676 . . . ?
B4 B1A B2 B5 -33.4(3) 3_676 . . 3_676 ?
B4 B1A B2 B6 -132.3(4) 3_676 . . . ?
B4 B1A B2 Br2 112.9(3) 3_676 . . . ?
B4 B1B B2 B3 -102.9(3) 3_676 . . . ?
B4 B1B B2 B5 -41.2(3) 3_676 . . 3_676 ?
B4 B1B B2 B6 -143.2(4) 3_676 . . . ?
B4 B1B B2 Br2 107.8(3) 3_676 . . . ?
B4 B1B B5 B2 3.1(5) 3_676 . . 3_676 ?
B4 B1B B5 B3 -36.9(3) 3_676 . . 3_676 ?
B4 B1B B5 B4 65.2(5) 3_676 . . . ?
B4 B1B B5 B6 104.9(5) 3_676 . . . ?
B4 B1B B5 Br5 -145.9(3) 3_676 . . . ?
B4 B1B B6 B2 35.1(4) 3_676 . . . ?
B4 B1B B6 B3 -5.6(5) 3_676 . . . ?
B4 B1B B6 B4 -68.0(5) 3_676 . . . ?
B4 B1B B6 B5 -107.6(5) 3_676 . . . ?
B4 B1B B6 Br6 143.0(4) 3_676 . . . ?
B4 B2 B3 B1A 1.5(4) 3_676 . . 3_676 ?
B4 B2 B3 B1B -1.2(3) 3_676 . . 3_676 ?
B4 B2 B3 B4 -63.4(3) 3_676 . . . ?
B4 B2 B3 B5 37.3(2) 3_676 . . 3_676 ?
B4 B2 B3 B6 -100.8(2) 3_676 . . . ?
B4 B2 B3 Br3 149.0(2) 3_676 . . . ?
B4 B2 B6 B1A -43.1(4) 3_676 . . . ?
B4 B2 B6 B1B -32.7(4) 3_676 . . . ?
B4 B2 B6 B3 100.8(3) 3_676 . . . ?
B4 B2 B6 B4 63.3(3) 3_676 . . . ?
B4 B2 B6 B5 -0.3(3) 3_676 . . . ?
B4 B2 B6 Br6 -147.0(2) 3_676 . . . ?
B4 B3 B6 B1A -104.7(4) . . . . ?
B4 B3 B6 B1B -97.7(4) . . . . ?
B4 B3 B6 B2 -138.2(2) . . . . ?
B4 B3 B6 B5 -37.6(2) . . . . ?
B4 B3 B6 Br6 113.0(3) . . . . ?
B4 B5 B6 B1A 143.0(3) . . . . ?
B4 B5 B6 B1B 134.6(4) . . . . ?
B4 B5 B6 B2 101.2(2) . . . . ?
B4 B5 B6 B3 37.6(2) . . . . ?
B4 B5 B6 Br6 -112.9(3) . . . . ?
B5 B1A B2 B3 -3.8(5) . . . . ?
B5 B1A B2 B4 94.9(4) . . . 3_676 ?
B5 B1A B2 B5 61.5(4) . . . 3_676 ?
B5 B1A B2 B6 -37.4(3) . . . . ?
B5 B1A B2 Br2 -152.2(3) . . . . ?
B5 B1B B2 B3 3.5(5) . . . . ?
B5 B1B B2 B4 106.4(5) . . . 3_676 ?
B5 B1B B2 B5 65.2(5) . . . 3_676 ?
B5 B1B B2 B6 -36.8(4) . . . . ?
B5 B1B B2 Br2 -145.8(4) . . . . ?
B5 B1B B6 B2 142.7(4) . . . . ?
B5 B1B B6 B3 102.0(3) . . . . ?
B5 B1B B6 B4 39.5(3) . . . . ?
B5 B1B B6 Br6 -109.4(3) . . . . ?
B5 B2 B3 B1A -35.9(3) 3_676 . . 3_676 ?
B5 B2 B3 B1B -38.5(3) 3_676 . . 3_676 ?
B5 B2 B3 B4 -100.8(2) 3_676 . . . ?
B5 B2 B3 B6 -138.2(2) 3_676 . . . ?
B5 B2 B3 Br3 111.7(2) 3_676 . . . ?
B5 B2 B6 B1A -106.8(4) 3_676 . . . ?
B5 B2 B6 B1B -96.4(4) 3_676 . . . ?
B5 B2 B6 B3 37.2(2) 3_676 . . . ?
B5 B2 B6 B4 -0.4(3) 3_676 . . . ?
B5 B2 B6 B5 -64.0(3) 3_676 . . . ?
B5 B2 B6 Br6 149.3(2) 3_676 . . . ?
B5 B3 B4 B1A 42.9(4) 3_676 . . 3_676 ?
B5 B3 B4 B1B 32.9(4) 3_676 . . 3_676 ?
B5 B3 B4 B2 -0.2(3) 3_676 . . 3_676 ?
B5 B3 B4 B5 -63.5(3) 3_676 . . . ?
B5 B3 B4 B6 -100.9(3) 3_676 . . . ?
B5 B3 B4 Br4 146.9(2) 3_676 . . . ?
B5 B3 B6 B1A -4.0(4) 3_676 . . . ?
B5 B3 B6 B1B 3.1(4) 3_676 . . . ?
B5 B3 B6 B2 -37.4(2) 3_676 . . . ?
B5 B3 B6 B4 100.7(2) 3_676 . . . ?
B5 B3 B6 B5 63.2(3) 3_676 . . . ?
B5 B3 B6 Br6 -146.3(2) 3_676 . . . ?
B5 B4 B6 B1A -35.5(3) . . . . ?
B5 B4 B6 B1B -38.2(3) . . . . ?
B5 B4 B6 B2 -100.6(2) . . . . ?
B5 B4 B6 B3 -138.1(2) . . . . ?
B5 B4 B6 Br6 111.0(2) . . . . ?
B6 B1A B2 B3 33.6(3) . . . . ?
B6 B1A B2 B4 132.3(4) . . . 3_676 ?
B6 B1A B2 B5 99.0(3) . . . 3_676 ?
B6 B1A B2 Br2 -114.8(3) . . . . ?
B6 B1B B2 B3 40.2(3) . . . . ?
B6 B1B B2 B4 143.2(4) . . . 3_676 ?
B6 B1B B2 B5 102.0(3) . . . 3_676 ?
B6 B1B B2 Br2 -109.0(3) . . . . ?
B6 B1B B5 B2 -101.9(3) . . . 3_676 ?
B6 B1B B5 B3 -141.8(4) . . . 3_676 ?
B6 B1B B5 B4 -39.7(3) . . . . ?
B6 B1B B5 Br5 109.2(3) . . . . ?
B6 B2 B3 B1A 102.3(3) . . . 3_676 ?
B6 B2 B3 B1B 99.6(3) . . . 3_676 ?
B6 B2 B3 B4 37.4(2) . . . . ?
B6 B2 B3 B5 138.2(2) . . . 3_676 ?
B6 B2 B3 Br3 -110.1(2) . . . . ?
B6 B3 B4 B1A 143.8(4) . . . 3_676 ?
B6 B3 B4 B1B 133.7(4) . . . 3_676 ?
B6 B3 B4 B2 100.7(3) . . . 3_676 ?
B6 B3 B4 B5 37.3(2) . . . . ?
B6 B3 B4 Br4 -112.3(3) . . . . ?
B6 B4 B5 B1A 34.8(3) . . . . ?
B6 B4 B5 B1B 39.3(3) . . . . ?
B6 B4 B5 B2 138.2(2) . . . 3_676 ?
B6 B4 B5 B3 100.9(2) . . . 3_676 ?
B6 B4 B5 Br5 -110.5(2) . . . . ?
O1 B1A B2 B3 149.8(7) . . . . ?
O1 B1A B2 B4 -111.5(8) . . . 3_676 ?
O1 B1A B2 B5 -144.8(7) . . . 3_676 ?
O1 B1A B2 B6 116.2(8) . . . . ?
O1 B1A B2 Br2 1.4(9) . . . . ?
Br1 B1B B2 B3 147.1(4) . . . . ?
Br1 B1B B2 B4 -110.0(5) . . . 3_676 ?
Br1 B1B B2 B5 -151.2(4) . . . 3_676 ?
Br1 B1B B2 B6 106.8(5) . . . . ?
Br1 B1B B2 Br2 -2.2(6) . . . . ?
Br1 B1B B5 B2 149.8(3) . . . 3_676 ?
Br1 B1B B5 B3 109.8(5) . . . 3_676 ?
Br1 B1B B5 B4 -148.1(3) . . . . ?
Br1 B1B B5 B6 -108.3(5) . . . . ?
Br1 B1B B5 Br5 0.8(6) . . . . ?
Br1 B1B B6 B2 -110.0(5) . . . . ?
Br1 B1B B6 B3 -150.7(4) . . . . ?
Br1 B1B B6 B4 146.9(4) . . . . ?
Br1 B1B B6 B5 107.4(5) . . . . ?
Br1 B1B B6 Br6 -2.1(6) . . . . ?
Br2 B2 B3 B1A -146.7(3) . . . 3_676 ?
Br2 B2 B3 B1B -149.4(3) . . . 3_676 ?
Br2 B2 B3 B4 148.4(2) . . . . ?
Br2 B2 B3 B5 -110.9(2) . . . 3_676 ?
Br2 B2 B3 B6 111.0(2) . . . . ?
Br2 B2 B3 Br3 0.8(3) . . . . ?
Br2 B2 B6 B1A 104.1(4) . . . . ?
Br2 B2 B6 B1B 114.4(4) . . . . ?
Br2 B2 B6 B3 -112.0(3) . . . . ?
Br2 B2 B6 B4 -149.5(2) . . . . ?
Br2 B2 B6 B5 146.9(2) . . . . ?
Br2 B2 B6 Br6 0.2(4) . . . . ?
Br3 B3 B4 B1A -105.0(4) . . . 3_676 ?
Br3 B3 B4 B1B -115.1(4) . . . 3_676 ?
Br3 B3 B4 B2 -148.1(2) . . . 3_676 ?
Br3 B3 B4 B5 148.5(2) . . . . ?
Br3 B3 B4 B6 111.2(2) . . . . ?
Br3 B3 B4 Br4 -1.1(4) . . . . ?
Br3 B3 B6 B1A 145.9(3) . . . . ?
Br3 B3 B6 B1B 153.0(3) . . . . ?
Br3 B3 B6 B2 112.5(3) . . . . ?
Br3 B3 B6 B4 -109.4(3) . . . . ?
Br3 B3 B6 B5 -146.9(2) . . . . ?
Br3 B3 B6 Br6 3.6(4) . . . . ?
Br4 B4 B5 B1A 147.2(3) . . . . ?
Br4 B4 B5 B1B 151.7(3) . . . . ?
Br4 B4 B5 B2 -109.3(2) . . . 3_676 ?
Br4 B4 B5 B3 -146.7(2) . . . 3_676 ?
Br4 B4 B5 B6 112.4(3) . . . . ?
Br4 B4 B5 Br5 1.9(4) . . . . ?
Br4 B4 B6 B1A -146.2(3) . . . . ?
Br4 B4 B6 B1B -148.9(3) . . . . ?
Br4 B4 B6 B2 148.6(2) . . . . ?
Br4 B4 B6 B3 111.1(2) . . . . ?
Br4 B4 B6 B5 -110.8(2) . . . . ?
Br4 B4 B6 Br6 0.2(3) . . . . ?
Br5 B5 B6 B1A -105.6(4) . . . . ?
Br5 B5 B6 B1B -114.0(4) . . . . ?
Br5 B5 B6 B2 -147.5(2) . . . . ?
Br5 B5 B6 B3 148.9(2) . . . . ?
Br5 B5 B6 B4 111.4(3) . . . . ?
Br5 B5 B6 Br6 -1.6(4) . . . . ?

_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_171pph4b2
_database_code_depnum_ccdc_archive 'CCDC 1057641'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-03-27
_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         'C3 H7 B12 Cl11 O, 2(C24 H20 P)'
_chemical_formula_sum            'C51 H47 B12 Cl11 O P2'
_chemical_formula_weight         1257.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         B12Cl11OC51H47P2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.27145(18)
_cell_length_b                   28.4714(5)
_cell_length_c                   30.0522(5)
_cell_angle_alpha                113.9658(17)
_cell_angle_beta                 90.7492(14)
_cell_angle_gamma                94.0845(13)
_cell_volume                     8781.0(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    26236
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      29.2630
_cell_measurement_theta_min      2.1310
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3828
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            91326
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.54
_diffrn_reflns_theta_min         1.94
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.824
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   28.00   54.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       -8.5000   57.0000  -30.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega   29.00   83.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  -60.0000 54

#__ type_ start__ end____ width___ exp.time_
  3 omega   54.00   82.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000 -180.0000 28

#__ type_ start__ end____ width___ exp.time_
  4 omega   -7.00   71.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000 -120.0000 78

#__ type_ start__ end____ width___ exp.time_
  5 omega    0.00   46.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000   30.0000 46

#__ type_ start__ end____ width___ exp.time_
  6 omega    0.00   82.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  150.0000 82

#__ type_ start__ end____ width___ exp.time_
  7 omega  -16.00   10.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       -8.5000   57.0000  -30.0000 26

#__ type_ start__ end____ width___ exp.time_
  8 omega  -34.00    6.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -57.0000 -120.0000 40

#__ type_ start__ end____ width___ exp.time_
  9 omega  -46.00   41.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -77.0000   30.0000 87

#__ type_ start__ end____ width___ exp.time_
 10 omega   17.00   48.00   1.0000  153.1550
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000   90.0000 31
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0048395000
_diffrn_orient_matrix_UB_12      0.0111927000
_diffrn_orient_matrix_UB_13      0.0256595000
_diffrn_orient_matrix_UB_21      0.0242832000
_diffrn_orient_matrix_UB_22      -0.0216308000
_diffrn_orient_matrix_UB_23      0.0015359000
_diffrn_orient_matrix_UB_31      0.0581000000
_diffrn_orient_matrix_UB_32      0.0124643000
_diffrn_orient_matrix_UB_33      0.0027908000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                30630
_reflns_number_total             40498
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXH-1997 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.656
_refine_diff_density_min         -1.868
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2083
_refine_ls_number_reflns         40498
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0661
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0497P)²+31.8295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1625
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O1) \\sim Ueq, Uanis(C145) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.2
Uanis(O1) \\sim Ueq, Uanis(C145) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.2
Uanis(O1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.2
3.a Secondary CH2 refined with riding coordinates:
 C145(H14A,H14B), C146(H14C,H14D), C148(H14H,H14I), C149(H14J,H14K), C151(H15D,
 H15E), C152(H15F,H15G)
3.b Aromatic/amide H refined with riding coordinates:
 C98(H98), C99(H99), C100(H100), C101(H101), C102(H102), C104(H104),
 C105(H105), C106(H106), C107(H107), C108(H108), C110(H110), C111(H111),
 C112(H112), C113(H113), C114(H114), C116(H116), C117(H117), C118(H118),
 C119(H119), C120(H120), C122(H122), C123(H123), C124(H124), C125(H125),
 C126(H126), C128(H128), C129(H129), C130(H130), C131(H131), C132(H132),
 C134(H134), C135(H135), C136(H136), C137(H137), C138(H138), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144), C26(H26), C27(H27), C28(H28),
 C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38),
  C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46),
 C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
  C57(H57), C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64),
 C65(H65), C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72), C2(H2),
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78),
 C80(H80), C81(H81), C82(H82), C83(H83), C84(H84), C86(H86), C87(H87), C88(H88),
  C89(H89), C90(H90), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96)
3.c Idealised Me refined as rotating group:
 C147(H14E,H14F,H14G), C150(H15A,H15B,H15C), C153(H15H,H15I,H15J)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
B1 B 0.6046(4) 0.11580(16) 0.37278(15) 0.0203(8) Uani 1 d . . . .
B2 B 0.7488(4) 0.09895(17) 0.38546(16) 0.0231(9) Uani 1 d . . . .
B3 B 0.7310(3) 0.12136(15) 0.33846(14) 0.0171(8) Uani 1 d . . . .
B4 B 0.5915(3) 0.09458(15) 0.30733(15) 0.0174(8) Uani 1 d . . . .
B5 B 0.5220(4) 0.05627(16) 0.33536(16) 0.0204(8) Uani 1 d . . . .
B6 B 0.6199(4) 0.05850(18) 0.38341(17) 0.0268(10) Uani 1 d . . . .
B7 B 0.7527(4) 0.03010(18) 0.35729(19) 0.0289(10) Uani 1 d . . . .
B8 B 0.8215(4) 0.06956(16) 0.32990(16) 0.0208(8) Uani 1 d . . . .
B9 B 0.7243(3) 0.06659(15) 0.28111(15) 0.0176(8) Uani 1 d . . . .
B10 B 0.5937(3) 0.02590(15) 0.27919(16) 0.0192(8) Uani 1 d . . . .
B11 B 0.6114(4) 0.00415(17) 0.32634(18) 0.0275(10) Uani 1 d . . . .
B12 B 0.7366(4) 0.01033(16) 0.29307(18) 0.0253(9) Uani 1 d . . . .
C145 C 0.5802(6) 0.2002(2) 0.4275(3) 0.070(2) Uani 1 d . . . U
H14A H 0.5598 0.2221 0.4114 0.084 Uiso 1 calc . . R .
H14B H 0.6660 0.1993 0.4279 0.084 Uiso 1 calc . . R .
C146 C 0.5385(5) 0.2245(2) 0.48242(19) 0.0515(14) Uani 1 d . . . .
H14C H 0.5699 0.2603 0.4979 0.062 Uiso 1 calc . . R .
H14D H 0.4523 0.2236 0.4819 0.062 Uiso 1 calc . . R .
C147 C 0.5801(5) 0.1958(2) 0.5132(2) 0.0541(14) Uani 1 d . . . .
H14E H 0.5521 0.1600 0.4974 0.081 Uiso 1 calc . . GR .
H14F H 0.5484 0.2106 0.5450 0.081 Uiso 1 calc . . GR .
H14G H 0.6655 0.1991 0.5162 0.081 Uiso 1 calc . . GR .
O1 O 0.5382(2) 0.16035(17) 0.40627(10) 0.0459(9) Uani 1 d . . . U
Cl1 Cl 0.79698(8) 0.18257(3) 0.34263(3) 0.02264(18) Uani 1 d . . . .
Cl2 Cl 0.83376(9) 0.13714(5) 0.44160(4) 0.0373(3) Uani 1 d . . . .
Cl3 Cl 0.56525(11) 0.05307(6) 0.43717(4) 0.0501(3) Uani 1 d . . . .
Cl4 Cl 0.36222(8) 0.04909(4) 0.33854(4) 0.0286(2) Uani 1 d . . . .
Cl5 Cl 0.50442(8) 0.12875(3) 0.28145(3) 0.02420(19) Uani 1 d . . . .
Cl6 Cl 0.51354(8) -0.01258(3) 0.22234(4) 0.0261(2) Uani 1 d . . . .
Cl7 Cl 0.54760(10) -0.05833(4) 0.32015(5) 0.0406(3) Uani 1 d . . . .
Cl8 Cl 0.84200(12) -0.00481(5) 0.38189(6) 0.0525(3) Uani 1 d . . . .
Cl9 Cl 0.98129(8) 0.07710(4) 0.32794(4) 0.0298(2) Uani 1 d . . . .
Cl10 Cl 0.78050(9) 0.07120(4) 0.22702(4) 0.0305(2) Uani 1 d . . . .
Cl11 Cl 0.80260(9) -0.04518(4) 0.25016(5) 0.0417(3) Uani 1 d . . . .
C97 C 0.6041(3) 0.20471(14) 0.71858(14) 0.0201(7) Uani 1 d . . . .
C98 C 0.6079(3) 0.15963(14) 0.67644(14) 0.0217(7) Uani 1 d . . . .
H98 H 0.6569 0.1345 0.6759 0.026 Uiso 1 calc . . R .
C99 C 0.5389(4) 0.15233(17) 0.63539(15) 0.0295(9) Uani 1 d . . . .
H99 H 0.5405 0.1219 0.6075 0.035 Uiso 1 calc . . R .
C100 C 0.4674(4) 0.18995(17) 0.63550(15) 0.0309(9) Uani 1 d . . . .
H100 H 0.4227 0.1851 0.6075 0.037 Uiso 1 calc . . R .
C101 C 0.4621(4) 0.23475(17) 0.67716(17) 0.0321(10) Uani 1 d . . . .
H101 H 0.4132 0.2598 0.6772 0.038 Uiso 1 calc . . R .
C102 C 0.5298(4) 0.24242(15) 0.71890(16) 0.0273(8) Uani 1 d . . . .
H102 H 0.5260 0.2724 0.7470 0.033 Uiso 1 calc . . R .
C103 C 0.5738(3) 0.21834(14) 0.81760(13) 0.0200(7) Uani 1 d . . . .
C104 C 0.4675(4) 0.18652(17) 0.80019(15) 0.0300(9) Uani 1 d . . . .
H104 H 0.4543 0.1663 0.7670 0.036 Uiso 1 calc . . R .
C105 C 0.3819(4) 0.18532(18) 0.83281(17) 0.0346(10) Uani 1 d . . . .
H105 H 0.3116 0.1642 0.8215 0.041 Uiso 1 calc . . R .
C106 C 0.4019(4) 0.21574(17) 0.88209(16) 0.0312(9) Uani 1 d . . . .
H106 H 0.3436 0.2159 0.9037 0.037 Uiso 1 calc . . R .
C107 C 0.5080(4) 0.24595(16) 0.89944(15) 0.0299(9) Uani 1 d . . . .
H107 H 0.5215 0.2653 0.9328 0.036 Uiso 1 calc . . R .
C108 C 0.5949(3) 0.24760(15) 0.86726(14) 0.0245(8) Uani 1 d . . . .
H108 H 0.6661 0.2680 0.8789 0.029 Uiso 1 calc . . R .
C109 C 0.7890(3) 0.27004(14) 0.79128(14) 0.0216(7) Uani 1 d . . . .
C110 C 0.8595(4) 0.28641(15) 0.83456(15) 0.0277(8) Uani 1 d . . . .
H110 H 0.8514 0.2689 0.8548 0.033 Uiso 1 calc . . R .
C111 C 0.9418(4) 0.32908(16) 0.84696(17) 0.0338(10) Uani 1 d . . . .
H111 H 0.9865 0.3410 0.8762 0.041 Uiso 1 calc . . R .
C112 C 0.9574(4) 0.35386(16) 0.81584(19) 0.0366(10) Uani 1 d . . . .
H112 H 1.0119 0.3826 0.8245 0.044 Uiso 1 calc . . R .
C113 C 0.8922(4) 0.33606(17) 0.77189(19) 0.0387(11) Uani 1 d . . . .
H113 H 0.9060 0.3517 0.7504 0.046 Uiso 1 calc . . R .
C114 C 0.8063(4) 0.29500(16) 0.75998(16) 0.0294(9) Uani 1 d . . . .
H114 H 0.7601 0.2840 0.7311 0.035 Uiso 1 calc . . R .
C115 C 0.7674(3) 0.15942(14) 0.76503(13) 0.0187(7) Uani 1 d . . . .
C116 C 0.7097(3) 0.11494(15) 0.76641(15) 0.0257(8) Uani 1 d . . . .
H116 H 0.6295 0.1138 0.7730 0.031 Uiso 1 calc . . R .
C117 C 0.7739(4) 0.07234(15) 0.75776(16) 0.0298(9) Uani 1 d . . . .
H117 H 0.7363 0.0426 0.7586 0.036 Uiso 1 calc . . R .
C118 C 0.8931(4) 0.07396(16) 0.74786(17) 0.0339(10) Uani 1 d . . . .
H118 H 0.9347 0.0450 0.7412 0.041 Uiso 1 calc . . R .
C119 C 0.9509(4) 0.11834(17) 0.74782(18) 0.0341(10) Uani 1 d . . . .
H119 H 1.0318 0.1195 0.7423 0.041 Uiso 1 calc . . R .
C120 C 0.8884(3) 0.16153(16) 0.75610(16) 0.0276(9) Uani 1 d . . . .
H120 H 0.9269 0.1913 0.7557 0.033 Uiso 1 calc . . R .
P5 P 0.68485(8) 0.21374(3) 0.77374(3) 0.01746(18) Uani 1 d . . . .
C121 C 0.9057(3) 0.21491(15) 0.59163(15) 0.0244(8) Uani 1 d . . . .
C122 C 0.9472(3) 0.24403(15) 0.56632(15) 0.0256(8) Uani 1 d . . . .
H122 H 1.0131 0.2350 0.5473 0.031 Uiso 1 calc . . R .
C123 C 0.8887(4) 0.28650(15) 0.57002(15) 0.0280(9) Uani 1 d . . . .
H123 H 0.9159 0.3061 0.5533 0.034 Uiso 1 calc . . R .
C124 C 0.7913(4) 0.30019(16) 0.59791(17) 0.0316(9) Uani 1 d . . . .
H124 H 0.7534 0.3290 0.6001 0.038 Uiso 1 calc . . R .
C125 C 0.7490(4) 0.27128(17) 0.62294(17) 0.0329(9) Uani 1 d . . . .
H125 H 0.6831 0.2807 0.6420 0.039 Uiso 1 calc . . R .
C126 C 0.8055(4) 0.22817(17) 0.61948(17) 0.0326(9) Uani 1 d . . . .
H126 H 0.7767 0.2083 0.6357 0.039 Uiso 1 calc . . R .
C127 C 0.8753(3) 0.11065(16) 0.58774(16) 0.0273(8) Uani 1 d . . . .
C128 C 0.7848(4) 0.09351(19) 0.55098(18) 0.0387(11) Uani 1 d . . . .
H128 H 0.7802 0.1085 0.5287 0.046 Uiso 1 calc . . R .
C129 C 0.7023(4) 0.0540(2) 0.5483(2) 0.0432(12) Uani 1 d . . . .
H129 H 0.6427 0.0421 0.5237 0.052 Uiso 1 calc . . R .
C130 C 0.7074(4) 0.03211(17) 0.58168(18) 0.0367(10) Uani 1 d . . . .
H130 H 0.6507 0.0058 0.5796 0.044 Uiso 1 calc . . R .
C131 C 0.7959(4) 0.04903(16) 0.61803(17) 0.0329(9) Uani 1 d . . . .
H131 H 0.7984 0.0344 0.6406 0.039 Uiso 1 calc . . R .
C132 C 0.8815(4) 0.08785(15) 0.62095(16) 0.0282(8) Uani 1 d . . . .
H132 H 0.9427 0.0986 0.6449 0.034 Uiso 1 calc . . R .
C133 C 1.0716(3) 0.18177(16) 0.64794(16) 0.0280(9) Uani 1 d . . . .
C134 C 1.0568(4) 0.22786(16) 0.68709(17) 0.0306(9) Uani 1 d . . . .
H134 H 1.0023 0.2497 0.6844 0.037 Uiso 1 calc . . R .
C135 C 1.1239(4) 0.24148(18) 0.73058(18) 0.0358(10) Uani 1 d . . . .
H135 H 1.1151 0.2727 0.7567 0.043 Uiso 1 calc . . R .
C136 C 1.2033(4) 0.2086(2) 0.73479(19) 0.0394(11) Uani 1 d . . . .
H136 H 1.2469 0.2175 0.7640 0.047 Uiso 1 calc . . R .
C137 C 1.2183(4) 0.1626(2) 0.69598(19) 0.0402(11) Uani 1 d . . . .
H137 H 1.2716 0.1406 0.6992 0.048 Uiso 1 calc . . R .
C138 C 1.1542(4) 0.14889(18) 0.65203(18) 0.0350(10) Uani 1 d . . . .
H138 H 1.1659 0.1182 0.6256 0.042 Uiso 1 calc . . R .
C139 C 1.0822(4) 0.14121(18) 0.54247(17) 0.0337(10) Uani 1 d . . . .
C140 C 1.0555(5) 0.0972(2) 0.5001(2) 0.0453(12) Uani 1 d . . . .
H140 H 0.9845 0.0770 0.4965 0.054 Uiso 1 calc . . R .
C141 C 1.1357(5) 0.0837(2) 0.4631(2) 0.0570(15) Uani 1 d . . . .
H141 H 1.1173 0.0545 0.4344 0.068 Uiso 1 calc . . R .
C142 C 1.2414(5) 0.1126(3) 0.4683(2) 0.0586(17) Uani 1 d . . . .
H142 H 1.2954 0.1025 0.4436 0.070 Uiso 1 calc . . R .
C143 C 1.2680(4) 0.1572(3) 0.5102(2) 0.0562(16) Uani 1 d . . . .
H143 H 1.3391 0.1772 0.5133 0.067 Uiso 1 calc . . R .
C144 C 1.1888(4) 0.1721(2) 0.54786(19) 0.0413(11) Uani 1 d . . . .
H144 H 1.2063 0.2020 0.5760 0.050 Uiso 1 calc . . R .
P6 P 0.98319(9) 0.16198(4) 0.59175(4) 0.0266(2) Uani 1 d . . . .
C25 C 0.2460(3) 0.34397(13) 0.24318(12) 0.0143(6) Uani 1 d . . . .
C26 C 0.1230(3) 0.33940(13) 0.24776(13) 0.0186(7) Uani 1 d . . . .
H26 H 0.0852 0.3088 0.2467 0.022 Uiso 1 calc . . R .
C27 C 0.0580(3) 0.38116(14) 0.25391(14) 0.0223(8) Uani 1 d . . . .
H27 H -0.0242 0.3782 0.2563 0.027 Uiso 1 calc . . R .
C28 C 0.1144(3) 0.42696(14) 0.25652(14) 0.0244(8) Uani 1 d . . . .
H28 H 0.0700 0.4547 0.2610 0.029 Uiso 1 calc . . R .
C29 C 0.2365(3) 0.43186(14) 0.25246(15) 0.0251(8) Uani 1 d . . . .
H29 H 0.2739 0.4628 0.2542 0.030 Uiso 1 calc . . R .
C30 C 0.3027(3) 0.39042(13) 0.24578(14) 0.0201(7) Uani 1 d . . . .
H30 H 0.3847 0.3935 0.2430 0.024 Uiso 1 calc . . R .
C31 C 0.4452(3) 0.28906(13) 0.19236(12) 0.0161(7) Uani 1 d . . . .
C32 C 0.4260(3) 0.26196(13) 0.14232(13) 0.0177(7) Uani 1 d . . . .
H32 H 0.3551 0.2417 0.1296 0.021 Uiso 1 calc . . R .
C33 C 0.5146(3) 0.26543(14) 0.11125(14) 0.0217(7) Uani 1 d . . . .
H33 H 0.5024 0.2475 0.0777 0.026 Uiso 1 calc . . R .
C34 C 0.6204(3) 0.29553(15) 0.13039(14) 0.0230(8) Uani 1 d . . . .
H34 H 0.6796 0.2971 0.1096 0.028 Uiso 1 calc . . R .
C35 C 0.6383(3) 0.32324(16) 0.18009(15) 0.0264(8) Uani 1 d . . . .
H35 H 0.7087 0.3439 0.1927 0.032 Uiso 1 calc . . R .
C36 C 0.5508(3) 0.32021(16) 0.21144(14) 0.0250(8) Uani 1 d . . . .
H36 H 0.5627 0.3389 0.2449 0.030 Uiso 1 calc . . R .
C37 C 0.4136(3) 0.30010(13) 0.29044(12) 0.0149(6) Uani 1 d . . . .
C38 C 0.4877(3) 0.26212(14) 0.28904(14) 0.0213(7) Uani 1 d . . . .
H38 H 0.4926 0.2328 0.2604 0.026 Uiso 1 calc . . R .
C39 C 0.5536(3) 0.26837(15) 0.33048(15) 0.0244(8) Uani 1 d . . . .
H39 H 0.6012 0.2428 0.3301 0.029 Uiso 1 calc . . R .
C40 C 0.5484(3) 0.31289(15) 0.37252(14) 0.0250(8) Uani 1 d . . . .
H40 H 0.5930 0.3171 0.4003 0.030 Uiso 1 calc . . R .
C41 C 0.4776(3) 0.35114(15) 0.37371(14) 0.0234(8) Uani 1 d . . . .
H41 H 0.4760 0.3811 0.4020 0.028 Uiso 1 calc . . R .
C42 C 0.4088(3) 0.34479(13) 0.33254(13) 0.0183(7) Uani 1 d . . . .
H42 H 0.3602 0.3701 0.3332 0.022 Uiso 1 calc . . R .
C43 C 0.2350(3) 0.23256(12) 0.21671(12) 0.0161(7) Uani 1 d . . . .
C44 C 0.1646(3) 0.21513(13) 0.17358(13) 0.0204(7) Uani 1 d . . . .
H44 H 0.1688 0.2332 0.1538 0.024 Uiso 1 calc . . R .
C45 C 0.0882(3) 0.17049(14) 0.16029(14) 0.0233(8) Uani 1 d . . . .
H45 H 0.0427 0.1583 0.1312 0.028 Uiso 1 calc . . R .
C46 C 0.0796(4) 0.14413(14) 0.19020(15) 0.0267(8) Uani 1 d . . . .
H46 H 0.0291 0.1141 0.1810 0.032 Uiso 1 calc . . R .
C47 C 0.1463(4) 0.16241(14) 0.23391(15) 0.0270(8) Uani 1 d . . . .
H47 H 0.1385 0.1452 0.2544 0.032 Uiso 1 calc . . R .
C48 C 0.2247(3) 0.20626(14) 0.24723(14) 0.0216(7) Uani 1 d . . . .
H48 H 0.2702 0.2181 0.2763 0.026 Uiso 1 calc . . R .
P2 P 0.33276(8) 0.29078(3) 0.23505(3) 0.01402(17) Uani 1 d . . . .
C49 C 0.1356(3) 0.38129(14) 0.41261(13) 0.0213(7) Uani 1 d . . . .
C50 C 0.1242(3) 0.40698(14) 0.38205(14) 0.0228(8) Uani 1 d . . . .
H50 H 0.0639 0.3959 0.3577 0.027 Uiso 1 calc . . R .
C51 C 0.2028(4) 0.44915(15) 0.38803(15) 0.0272(8) Uani 1 d . . . .
H51 H 0.1952 0.4662 0.3676 0.033 Uiso 1 calc . . R .
C52 C 0.2923(4) 0.46582(15) 0.42421(15) 0.0293(9) Uani 1 d . . . .
H52 H 0.3441 0.4944 0.4284 0.035 Uiso 1 calc . . R .
C53 C 0.3051(4) 0.44002(15) 0.45445(14) 0.0285(9) Uani 1 d . . . .
H53 H 0.3660 0.4512 0.4785 0.034 Uiso 1 calc . . R .
C54 C 0.2279(3) 0.39806(15) 0.44896(14) 0.0250(8) Uani 1 d . . . .
H54 H 0.2368 0.3809 0.4692 0.030 Uiso 1 calc . . R .
C55 C 0.1122(3) 0.27557(14) 0.40700(13) 0.0205(7) Uani 1 d . . . .
C56 C 0.2224(3) 0.26737(16) 0.38552(14) 0.0263(8) Uani 1 d . . . .
H56 H 0.2568 0.2906 0.3739 0.032 Uiso 1 calc . . R .
C57 C 0.2803(4) 0.22449(16) 0.38149(15) 0.0296(9) Uani 1 d . . . .
H57 H 0.3535 0.2190 0.3672 0.036 Uiso 1 calc . . R .
C58 C 0.2283(4) 0.18967(16) 0.39898(15) 0.0297(9) Uani 1 d . . . .
H58 H 0.2669 0.1609 0.3962 0.036 Uiso 1 calc . . R .
C59 C 0.1198(4) 0.19805(15) 0.42037(16) 0.0299(9) Uani 1 d . . . .
H59 H 0.0859 0.1748 0.4321 0.036 Uiso 1 calc . . R .
C60 C 0.0606(3) 0.24064(15) 0.42462(14) 0.0248(8) Uani 1 d . . . .
H60 H -0.0126 0.2459 0.4390 0.030 Uiso 1 calc . . R .
C61 C -0.0694(3) 0.34753(14) 0.45571(13) 0.0210(7) Uani 1 d . . . .
C62 C -0.1802(3) 0.31994(16) 0.44930(14) 0.0263(8) Uani 1 d . . . .
H62 H -0.2006 0.2912 0.4205 0.032 Uiso 1 calc . . R .
C63 C -0.2595(4) 0.33599(19) 0.48646(15) 0.0337(10) Uani 1 d . . . .
H63 H -0.3336 0.3178 0.4824 0.040 Uiso 1 calc . . R .
C64 C -0.2298(4) 0.37872(18) 0.52944(15) 0.0342(10) Uani 1 d . . . .
H64 H -0.2844 0.3895 0.5538 0.041 Uiso 1 calc . . R .
C65 C -0.1195(4) 0.40518(17) 0.53608(15) 0.0325(10) Uani 1 d . . . .
H65 H -0.0992 0.4335 0.5653 0.039 Uiso 1 calc . . R .
C66 C -0.0384(4) 0.39003(15) 0.49963(13) 0.0253(8) Uani 1 d . . . .
H66 H 0.0361 0.4080 0.5043 0.030 Uiso 1 calc . . R .
C67 C -0.0540(3) 0.30722(14) 0.35050(12) 0.0198(7) Uani 1 d . . . .
C68 C -0.1366(3) 0.33931(15) 0.34553(14) 0.0250(8) Uani 1 d . . . .
H68 H -0.1497 0.3699 0.3718 0.030 Uiso 1 calc . . R .
C69 C -0.1992(3) 0.32538(16) 0.30134(14) 0.0272(8) Uani 1 d . . . .
H69 H -0.2533 0.3469 0.2978 0.033 Uiso 1 calc . . R .
C70 C -0.1812(4) 0.27951(16) 0.26255(14) 0.0293(9) Uani 1 d . . . .
H70 H -0.2233 0.2704 0.2330 0.035 Uiso 1 calc . . R .
C71 C -0.1013(4) 0.24720(16) 0.26743(14) 0.0267(8) Uani 1 d . . . .
H71 H -0.0906 0.2161 0.2414 0.032 Uiso 1 calc . . R .
C72 C -0.0363(3) 0.26119(14) 0.31145(13) 0.0224(8) Uani 1 d . . . .
H72 H 0.0186 0.2397 0.3146 0.027 Uiso 1 calc . . R .
P3 P 0.03243(8) 0.32778(4) 0.40706(3) 0.01872(18) Uani 1 d . . . .
C1 C 0.4437(3) 0.45721(13) 0.08461(13) 0.0196(7) Uani 1 d . . . .
C2 C 0.5320(4) 0.44506(15) 0.05024(15) 0.0278(8) Uani 1 d . . . .
H2 H 0.5562 0.4680 0.0366 0.033 Uiso 1 calc . . R .
C3 C 0.5833(4) 0.39852(16) 0.03667(15) 0.0286(9) Uani 1 d . . . .
H3 H 0.6409 0.3899 0.0134 0.034 Uiso 1 calc . . R .
C4 C 0.5480(4) 0.36504(15) 0.05793(15) 0.0282(9) Uani 1 d . . . .
H4 H 0.5832 0.3341 0.0493 0.034 Uiso 1 calc . . R .
C5 C 0.4613(4) 0.37722(15) 0.09184(16) 0.0280(9) Uani 1 d . . . .
H5 H 0.4382 0.3544 0.1058 0.034 Uiso 1 calc . . R .
C6 C 0.4083(3) 0.42337(14) 0.10527(14) 0.0223(7) Uani 1 d . . . .
H6 H 0.3494 0.4314 0.1280 0.027 Uiso 1 calc . . R .
C7 C 0.2846(3) 0.52902(14) 0.15054(14) 0.0218(7) Uani 1 d . . . .
C8 C 0.1762(4) 0.49980(16) 0.14474(15) 0.0320(9) Uani 1 d . . . .
H8 H 0.1489 0.4756 0.1141 0.038 Uiso 1 calc . . R .
C9 C 0.1095(4) 0.50726(17) 0.18519(16) 0.0331(9) Uani 1 d . . . .
H9 H 0.0373 0.4879 0.1816 0.040 Uiso 1 calc . . R .
C10 C 0.1496(4) 0.54329(16) 0.23079(15) 0.0286(9) Uani 1 d . . . .
H10 H 0.1043 0.5479 0.2577 0.034 Uiso 1 calc . . R .
C11 C 0.2560(4) 0.57225(18) 0.23651(16) 0.0343(10) Uani 1 d . . . .
H11 H 0.2827 0.5965 0.2672 0.041 Uiso 1 calc . . R .
C12 C 0.3236(4) 0.56530(16) 0.19638(14) 0.0283(8) Uani 1 d . . . .
H12 H 0.3954 0.5851 0.2003 0.034 Uiso 1 calc . . R .
C13 C 0.4944(3) 0.56695(14) 0.11227(14) 0.0223(8) Uani 1 d . . . .
C14 C 0.4996(4) 0.60012(15) 0.08846(16) 0.0286(9) Uani 1 d . . . .
H14 H 0.4410 0.5965 0.0649 0.034 Uiso 1 calc . . R .
C15 C 0.5923(4) 0.63847(16) 0.09995(18) 0.0363(10) Uani 1 d . . . .
H15 H 0.5965 0.6602 0.0837 0.044 Uiso 1 calc . . R .
C16 C 0.6786(4) 0.64451(17) 0.13557(18) 0.0375(10) Uani 1 d . . . .
H16 H 0.7396 0.6708 0.1436 0.045 Uiso 1 calc . . R .
C17 C 0.6743(4) 0.61139(17) 0.15929(16) 0.0342(10) Uani 1 d . . . .
H17 H 0.7322 0.6156 0.1833 0.041 Uiso 1 calc . . R .
C18 C 0.5838(3) 0.57209(16) 0.14719(15) 0.0278(8) Uani 1 d . . . .
H18 H 0.5824 0.5492 0.1622 0.033 Uiso 1 calc . . R .
C19 C 0.2826(3) 0.51198(14) 0.04856(14) 0.0227(8) Uani 1 d . . . .
C20 C 0.2767(4) 0.46884(16) 0.00483(14) 0.0279(8) Uani 1 d . . . .
H20 H 0.3237 0.4420 0.0010 0.033 Uiso 1 calc . . R .
C21 C 0.2008(4) 0.4655(2) -0.03338(16) 0.0375(10) Uani 1 d . . . .
H21 H 0.1967 0.4365 -0.0627 0.045 Uiso 1 calc . . R .
C22 C 0.1317(4) 0.5055(2) -0.02757(19) 0.0430(12) Uani 1 d . . . .
H22 H 0.0815 0.5033 -0.0533 0.052 Uiso 1 calc . . R .
C23 C 0.1360(4) 0.54878(19) 0.0159(2) 0.0423(12) Uani 1 d . . . .
H23 H 0.0887 0.5754 0.0195 0.051 Uiso 1 calc . . R .
C24 C 0.2113(4) 0.55236(16) 0.05447(18) 0.0333(10) Uani 1 d . . . .
H24 H 0.2143 0.5813 0.0839 0.040 Uiso 1 calc . . R .
P1 P 0.37609(8) 0.51645(3) 0.09907(3) 0.01873(18) Uani 1 d . . . .
C73 C 0.2388(3) 0.02046(13) 0.13719(13) 0.0204(7) Uani 1 d . . . .
C74 C 0.1249(4) -0.00420(15) 0.12069(15) 0.0271(8) Uani 1 d . . . .
H74 H 0.1052 -0.0200 0.0874 0.032 Uiso 1 calc . . R .
C75 C 0.0414(4) -0.00515(16) 0.15385(16) 0.0312(9) Uani 1 d . . . .
H75 H -0.0344 -0.0214 0.1428 0.037 Uiso 1 calc . . R .
C76 C 0.0707(4) 0.01801(16) 0.20330(16) 0.0296(9) Uani 1 d . . . .
H76 H 0.0143 0.0175 0.2255 0.036 Uiso 1 calc . . R .
C77 C 0.1835(4) 0.04185(16) 0.21995(15) 0.0290(9) Uani 1 d . . . .
H77 H 0.2028 0.0569 0.2532 0.035 Uiso 1 calc . . R .
C78 C 0.2690(4) 0.04344(15) 0.18701(14) 0.0243(8) Uani 1 d . . . .
H78 H 0.3448 0.0596 0.1982 0.029 Uiso 1 calc . . R .
C79 C 0.4306(3) -0.03920(13) 0.08454(13) 0.0179(7) Uani 1 d . . . .
C80 C 0.3822(3) -0.07815(14) 0.09717(14) 0.0216(7) Uani 1 d . . . .
H80 H 0.3094 -0.0752 0.1119 0.026 Uiso 1 calc . . R .
C81 C 0.4439(3) -0.12167(14) 0.08762(15) 0.0263(8) Uani 1 d . . . .
H81 H 0.4124 -0.1478 0.0962 0.032 Uiso 1 calc . . R .
C82 C 0.5520(4) -0.12623(16) 0.06547(17) 0.0322(9) Uani 1 d . . . .
H82 H 0.5920 -0.1557 0.0587 0.039 Uiso 1 calc . . R .
C83 C 0.6004(4) -0.08729(17) 0.05349(18) 0.0364(10) Uani 1 d . . . .
H83 H 0.6735 -0.0903 0.0390 0.044 Uiso 1 calc . . R .
C84 C 0.5403(4) -0.04347(16) 0.06301(16) 0.0295(9) Uani 1 d . . . .
H84 H 0.5732 -0.0171 0.0551 0.035 Uiso 1 calc . . R .
C85 C 0.4520(3) 0.07130(14) 0.10943(14) 0.0227(8) Uani 1 d . . . .
C86 C 0.4608(4) 0.09881(14) 0.08001(15) 0.0266(8) Uani 1 d . . . .
H86 H 0.4111 0.0888 0.0522 0.032 Uiso 1 calc . . R .
C87 C 0.5439(4) 0.14114(15) 0.09233(17) 0.0344(10) Uani 1 d . . . .
H87 H 0.5508 0.1589 0.0723 0.041 Uiso 1 calc . . R .
C88 C 0.6160(4) 0.15680(16) 0.13389(17) 0.0350(10) Uani 1 d . . . .
H88 H 0.6697 0.1858 0.1425 0.042 Uiso 1 calc . . R .
C89 C 0.6087(4) 0.12938(17) 0.16312(17) 0.0353(10) Uani 1 d . . . .
H89 H 0.6574 0.1402 0.1913 0.042 Uiso 1 calc . . R .
C90 C 0.5288(4) 0.08584(16) 0.15044(15) 0.0307(9) Uani 1 d . . . .
H90 H 0.5267 0.0666 0.1692 0.037 Uiso 1 calc . . R .
C91 C 0.2696(3) 0.00481(14) 0.03660(14) 0.0208(7) Uani 1 d . . . .
C92 C 0.1938(4) 0.04149(16) 0.03537(16) 0.0287(9) Uani 1 d . . . .
H92 H 0.1844 0.0709 0.0634 0.034 Uiso 1 calc . . R .
C93 C 0.1334(4) 0.03358(18) -0.00764(17) 0.0349(10) Uani 1 d . . . .
H93 H 0.0836 0.0579 -0.0086 0.042 Uiso 1 calc . . R .
C94 C 0.1467(4) -0.01059(18) -0.04953(17) 0.0341(10) Uani 1 d . . . .
H94 H 0.1061 -0.0157 -0.0785 0.041 Uiso 1 calc . . R .
C95 C 0.2195(4) -0.04673(16) -0.04831(15) 0.0288(9) Uani 1 d . . . .
H95 H 0.2268 -0.0765 -0.0763 0.035 Uiso 1 calc . . R .
C96 C 0.2826(3) -0.03921(14) -0.00534(14) 0.0221(7) Uani 1 d . . . .
H96 H 0.3330 -0.0635 -0.0048 0.027 Uiso 1 calc . . R .
P4 P 0.34842(8) 0.01508(3) 0.09268(3) 0.01799(18) Uani 1 d . . . .
B13 B 0.7477(3) 0.54847(14) 0.38354(14) 0.0149(7) Uani 1 d . . . .
B14 B 0.8316(3) 0.57869(15) 0.35014(14) 0.0163(7) Uani 1 d . . . .
B15 B 0.7464(3) 0.51898(15) 0.31773(14) 0.0157(7) Uani 1 d . . . .
B16 B 0.6106(3) 0.51981(15) 0.34776(14) 0.0169(7) Uani 1 d . . . .
B17 B 0.6122(3) 0.58020(16) 0.39859(14) 0.0179(8) Uani 1 d . . . .
B18 B 0.7481(3) 0.61702(15) 0.40040(14) 0.0169(8) Uani 1 d . . . .
B19 B 0.7504(4) 0.62893(15) 0.34652(15) 0.0188(8) Uani 1 d . . . .
B20 B 0.7486(3) 0.56879(15) 0.29570(14) 0.0171(8) Uani 1 d . . . .
B21 B 0.6118(3) 0.53214(14) 0.29375(14) 0.0159(7) Uani 1 d . . . .
B22 B 0.5290(3) 0.56985(15) 0.34420(14) 0.0183(8) Uani 1 d . . . .
B23 B 0.6143(4) 0.62997(15) 0.37675(15) 0.0213(8) Uani 1 d . . . .
B24 B 0.6148(4) 0.59995(15) 0.31209(15) 0.0182(8) Uani 1 d . . . .
C148 C 0.8534(4) 0.49061(16) 0.40647(14) 0.0281(9) Uani 1 d . . . .
H14H H 0.9362 0.4981 0.4013 0.034 Uiso 1 calc . . R .
H14I H 0.8183 0.4643 0.3762 0.034 Uiso 1 calc . . R .
C149 C 0.8466(4) 0.47041(15) 0.44675(15) 0.0282(9) Uani 1 d . . . .
H14J H 0.9021 0.4442 0.4407 0.034 Uiso 1 calc . . R .
H14K H 0.8692 0.4984 0.4780 0.034 Uiso 1 calc . . R .
C150 C 0.7215(4) 0.44776(17) 0.44819(16) 0.0357(10) Uani 1 d . . . .
H15A H 0.7025 0.4177 0.4185 0.054 Uiso 1 calc . . GR .
H15B H 0.6659 0.4729 0.4515 0.054 Uiso 1 calc . . GR .
H15C H 0.7170 0.4384 0.4754 0.054 Uiso 1 calc . . GR .
O2 O 0.7971(2) 0.53251(11) 0.41834(9) 0.0269(6) Uani 1 d . . . .
Cl12 Cl 0.81241(9) 0.45972(4) 0.28337(3) 0.0264(2) Uani 1 d . . . .
Cl13 Cl 0.53793(9) 0.46127(4) 0.34716(3) 0.0273(2) Uani 1 d . . . .
Cl14 Cl 0.54116(8) 0.48736(3) 0.23652(3) 0.02128(18) Uani 1 d . . . .
Cl15 Cl 0.82246(8) 0.56180(4) 0.24067(3) 0.0267(2) Uani 1 d . . . .
Cl16 Cl 0.99205(8) 0.58266(4) 0.35187(3) 0.0263(2) Uani 1 d . . . .
Cl17 Cl 0.81782(8) 0.66332(3) 0.45717(3) 0.02473(19) Uani 1 d . . . .
Cl18 Cl 0.53849(8) 0.58715(4) 0.45357(3) 0.0299(2) Uani 1 d . . . .
Cl19 Cl 0.36847(8) 0.56500(4) 0.34272(3) 0.0289(2) Uani 1 d . . . .
Cl20 Cl 0.54635(10) 0.68929(4) 0.40649(4) 0.0372(2) Uani 1 d . . . .
Cl21 Cl 0.82248(10) 0.68618(4) 0.34496(4) 0.0328(2) Uani 1 d . . . .
Cl22 Cl 0.55030(9) 0.62956(4) 0.27591(4) 0.0313(2) Uani 1 d . . . .
B25 B -0.0689(3) 0.29921(14) 0.04885(14) 0.0145(7) Uani 1 d . . . .
B26 B -0.0495(3) 0.23945(14) 0.05382(14) 0.0149(7) Uani 1 d . . . .
B27 B -0.1472(3) 0.23963(14) 0.00688(13) 0.0142(7) Uani 1 d . . . .
B28 B -0.0805(3) 0.28352(14) -0.01571(13) 0.0127(7) Uani 1 d . . . .
B29 B 0.0574(3) 0.31031(14) 0.01672(14) 0.0143(7) Uani 1 d . . . .
B30 B 0.0770(3) 0.28315(14) 0.05998(14) 0.0143(7) Uani 1 d . . . .
B31 B 0.0856(3) 0.21515(14) 0.02655(14) 0.0143(7) Uani 1 d . . . .
B32 B -0.0532(3) 0.18862(14) -0.00580(14) 0.0151(7) Uani 1 d . . . .
B33 B -0.0728(3) 0.21587(14) -0.04906(14) 0.0148(7) Uani 1 d . . . .
B34 B 0.0546(3) 0.25940(14) -0.04322(14) 0.0144(7) Uani 1 d . . . .
B35 B 0.1521(3) 0.25910(14) 0.00386(14) 0.0149(7) Uani 1 d . . . .
B36 B 0.0716(3) 0.20049(14) -0.03715(13) 0.0135(7) Uani 1 d . . . .
C151 C -0.0954(3) 0.37380(14) 0.12725(13) 0.0221(7) Uani 1 d . . . .
H15D H -0.0152 0.3879 0.1260 0.026 Uiso 1 calc . . R .
H15E H -0.0940 0.3564 0.1491 0.026 Uiso 1 calc . . R .
C152 C -0.1785(4) 0.41659(14) 0.14519(14) 0.0243(8) Uani 1 d . . . .
H15F H -0.1569 0.4389 0.1790 0.029 Uiso 1 calc . . R .
H15G H -0.2593 0.4016 0.1437 0.029 Uiso 1 calc . . R .
C153 C -0.1742(4) 0.44874(16) 0.11515(16) 0.0344(10) Uani 1 d . . . .
H15H H -0.1906 0.4265 0.0814 0.052 Uiso 1 calc . . GR .
H15I H -0.0964 0.4665 0.1192 0.052 Uiso 1 calc . . GR .
H15J H -0.2327 0.4735 0.1260 0.052 Uiso 1 calc . . GR .
O3 O -0.1378(2) 0.33902(10) 0.08052(8) 0.0181(5) Uani 1 d . . . .
Cl23 Cl 0.11522(8) 0.37501(3) 0.02721(3) 0.02319(18) Uani 1 d . . . .
Cl24 Cl -0.17095(8) 0.32021(3) -0.03779(3) 0.02073(17) Uani 1 d . . . .
Cl25 Cl -0.30644(7) 0.22916(3) 0.00752(3) 0.02091(17) Uani 1 d . . . .
Cl26 Cl -0.10465(8) 0.22871(4) 0.10552(3) 0.02271(18) Uani 1 d . . . .
Cl27 Cl 0.16317(7) 0.31670(3) 0.11683(3) 0.01940(17) Uani 1 d . . . .
Cl28 Cl 0.31119(7) 0.26922(3) 0.00346(3) 0.02266(18) Uani 1 d . . . .
Cl29 Cl 0.11095(8) 0.27018(4) -0.09455(3) 0.02579(19) Uani 1 d . . . .
Cl30 Cl -0.15225(8) 0.18095(3) -0.10706(3) 0.02062(17) Uani 1 d . . . .
Cl31 Cl -0.11134(8) 0.12456(3) -0.01625(4) 0.02448(19) Uani 1 d . . . .
Cl32 Cl 0.17670(8) 0.17806(3) 0.04781(3) 0.02097(17) Uani 1 d . . . .
Cl33 Cl 0.14213(8) 0.14833(3) -0.08138(3) 0.02435(19) Uani 1 d . . . .


_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 B2 1.806(6) . ?
B1 B3 1.805(6) . ?
B1 B4 1.808(6) . ?
B1 B5 1.790(6) . ?
B1 B6 1.804(6) . ?
B1 O1 1.517(6) . ?
B2 B3 1.785(6) . ?
B2 B6 1.773(6) . ?
B2 B7 1.796(7) . ?
B2 B8 1.777(6) . ?
B2 Cl2 1.807(4) . ?
B3 B4 1.773(5) . ?
B3 B8 1.787(6) . ?
B3 B9 1.790(5) . ?
B3 Cl1 1.800(4) . ?
B4 B5 1.776(6) . ?
B4 B9 1.786(5) . ?
B4 B10 1.790(6) . ?
B4 Cl5 1.801(4) . ?
B5 B6 1.784(6) . ?
B5 B10 1.789(6) . ?
B5 B11 1.785(6) . ?
B5 Cl4 1.806(4) . ?
B6 B7 1.789(7) . ?
B6 B11 1.779(7) . ?
B6 Cl3 1.797(5) . ?
B7 B8 1.785(6) . ?
B7 B11 1.785(6) . ?
B7 B12 1.780(7) . ?
B7 Cl8 1.807(5) . ?
B8 B9 1.789(6) . ?
B8 B12 1.792(6) . ?
B8 Cl9 1.803(4) . ?
B9 B10 1.792(5) . ?
B9 B12 1.792(6) . ?
B9 Cl10 1.802(4) . ?
B10 B11 1.776(6) . ?
B10 B12 1.788(6) . ?
B10 Cl6 1.798(4) . ?
B11 B12 1.780(7) . ?
B11 Cl7 1.806(4) . ?
B12 Cl11 1.803(5) . ?
C145 H14A 0.9700 . ?
C145 H14B 0.9700 . ?
C145 C146 1.600(8) . ?
C145 O1 1.115(7) . ?
C146 H14C 0.9700 . ?
C146 H14D 0.9700 . ?
C146 C147 1.548(8) . ?
C147 H14E 0.9600 . ?
C147 H14F 0.9600 . ?
C147 H14G 0.9600 . ?
C97 C98 1.394(5) . ?
C97 C102 1.405(5) . ?
C97 P5 1.795(4) . ?
C98 H98 0.9300 . ?
C98 C99 1.383(5) . ?
C99 H99 0.9300 . ?
C99 C100 1.385(6) . ?
C100 H100 0.9300 . ?
C100 C101 1.383(6) . ?
C101 H101 0.9300 . ?
C101 C102 1.390(6) . ?
C102 H102 0.9300 . ?
C103 C104 1.405(5) . ?
C103 C108 1.389(5) . ?
C103 P5 1.802(4) . ?
C104 H104 0.9300 . ?
C104 C105 1.393(6) . ?
C105 H105 0.9300 . ?
C105 C106 1.384(6) . ?
C106 H106 0.9300 . ?
C106 C107 1.383(6) . ?
C107 H107 0.9300 . ?
C107 C108 1.398(6) . ?
C108 H108 0.9300 . ?
C109 C110 1.403(5) . ?
C109 C114 1.398(5) . ?
C109 P5 1.804(4) . ?
C110 H110 0.9300 . ?
C110 C111 1.392(6) . ?
C111 H111 0.9300 . ?
C111 C112 1.388(6) . ?
C112 H112 0.9300 . ?
C112 C113 1.385(7) . ?
C113 H113 0.9300 . ?
C113 C114 1.387(6) . ?
C114 H114 0.9300 . ?
C115 C116 1.398(5) . ?
C115 C120 1.395(5) . ?
C115 P5 1.791(4) . ?
C116 H116 0.9300 . ?
C116 C117 1.391(5) . ?
C117 H117 0.9300 . ?
C117 C118 1.382(6) . ?
C118 H118 0.9300 . ?
C118 C119 1.380(6) . ?
C119 H119 0.9300 . ?
C119 C120 1.397(5) . ?
C120 H120 0.9300 . ?
C121 C122 1.397(5) . ?
C121 C126 1.395(6) . ?
C121 P6 1.796(4) . ?
C122 H122 0.9300 . ?
C122 C123 1.384(6) . ?
C123 H123 0.9300 . ?
C123 C124 1.371(6) . ?
C124 H124 0.9300 . ?
C124 C125 1.388(6) . ?
C125 H125 0.9300 . ?
C125 C126 1.390(6) . ?
C126 H126 0.9300 . ?
C127 C128 1.401(6) . ?
C127 C132 1.397(6) . ?
C127 P6 1.797(4) . ?
C128 H128 0.9300 . ?
C128 C129 1.381(6) . ?
C129 H129 0.9300 . ?
C129 C130 1.383(7) . ?
C130 H130 0.9300 . ?
C130 C131 1.378(6) . ?
C131 H131 0.9300 . ?
C131 C132 1.388(6) . ?
C132 H132 0.9300 . ?
C133 C134 1.384(6) . ?
C133 C138 1.405(6) . ?
C133 P6 1.807(4) . ?
C134 H134 0.9300 . ?
C134 C135 1.397(6) . ?
C135 H135 0.9300 . ?
C135 C136 1.381(6) . ?
C136 H136 0.9300 . ?
C136 C137 1.377(7) . ?
C137 H137 0.9300 . ?
C137 C138 1.391(7) . ?
C138 H138 0.9300 . ?
C139 C140 1.385(7) . ?
C139 C144 1.405(6) . ?
C139 P6 1.793(4) . ?
C140 H140 0.9300 . ?
C140 C141 1.390(7) . ?
C141 H141 0.9300 . ?
C141 C142 1.369(9) . ?
C142 H142 0.9300 . ?
C142 C143 1.387(9) . ?
C143 H143 0.9300 . ?
C143 C144 1.395(7) . ?
C144 H144 0.9300 . ?
C25 C26 1.397(5) . ?
C25 C30 1.399(5) . ?
C25 P2 1.796(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.391(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.382(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.385(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.389(5) . ?
C31 C36 1.397(5) . ?
C31 P2 1.804(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.401(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.387(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.381(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.395(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.401(5) . ?
C37 C42 1.388(5) . ?
C37 P2 1.799(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.383(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.385(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.384(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.392(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.396(5) . ?
C43 C48 1.402(5) . ?
C43 P2 1.802(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.392(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.386(5) . ?
C46 H46 0.9300 . ?
C46 C47 1.387(6) . ?
C47 H47 0.9300 . ?
C47 C48 1.388(5) . ?
C48 H48 0.9300 . ?
C49 C50 1.397(5) . ?
C49 C54 1.407(5) . ?
C49 P3 1.799(4) . ?
C50 H50 0.9300 . ?
C50 C51 1.389(5) . ?
C51 H51 0.9300 . ?
C51 C52 1.381(6) . ?
C52 H52 0.9300 . ?
C52 C53 1.393(6) . ?
C53 H53 0.9300 . ?
C53 C54 1.378(5) . ?
C54 H54 0.9300 . ?
C55 C56 1.398(5) . ?
C55 C60 1.400(5) . ?
C55 P3 1.791(4) . ?
C56 H56 0.9300 . ?
C56 C57 1.388(6) . ?
C57 H57 0.9300 . ?
C57 C58 1.396(6) . ?
C58 H58 0.9300 . ?
C58 C59 1.380(6) . ?
C59 H59 0.9300 . ?
C59 C60 1.387(6) . ?
C60 H60 0.9300 . ?
C61 C62 1.394(5) . ?
C61 C66 1.399(5) . ?
C61 P3 1.800(4) . ?
C62 H62 0.9300 . ?
C62 C63 1.388(5) . ?
C63 H63 0.9300 . ?
C63 C64 1.384(6) . ?
C64 H64 0.9300 . ?
C64 C65 1.375(7) . ?
C65 H65 0.9300 . ?
C65 C66 1.386(6) . ?
C66 H66 0.9300 . ?
C67 C68 1.398(5) . ?
C67 C72 1.389(5) . ?
C67 P3 1.802(4) . ?
C68 H68 0.9300 . ?
C68 C69 1.387(5) . ?
C69 H69 0.9300 . ?
C69 C70 1.383(6) . ?
C70 H70 0.9300 . ?
C70 C71 1.380(6) . ?
C71 H71 0.9300 . ?
C71 C72 1.396(5) . ?
C72 H72 0.9300 . ?
C1 C2 1.401(5) . ?
C1 C6 1.383(5) . ?
C1 P1 1.792(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.379(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.396(5) . ?
C7 C12 1.386(5) . ?
C7 P1 1.797(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.387(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.382(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.373(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.388(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.396(5) . ?
C13 C18 1.401(5) . ?
C13 P1 1.804(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.387(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.393(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.386(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.384(6) . ?
C19 C24 1.404(5) . ?
C19 P1 1.792(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.391(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.378(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.391(6) . ?
C24 H24 0.9300 . ?
C73 C74 1.400(5) . ?
C73 C78 1.394(5) . ?
C73 P4 1.801(4) . ?
C74 H74 0.9300 . ?
C74 C75 1.387(6) . ?
C75 H75 0.9300 . ?
C75 C76 1.383(6) . ?
C76 H76 0.9300 . ?
C76 C77 1.382(6) . ?
C77 H77 0.9300 . ?
C77 C78 1.402(6) . ?
C78 H78 0.9300 . ?
C79 C80 1.390(5) . ?
C79 C84 1.394(5) . ?
C79 P4 1.791(3) . ?
C80 H80 0.9300 . ?
C80 C81 1.393(5) . ?
C81 H81 0.9300 . ?
C81 C82 1.385(6) . ?
C82 H82 0.9300 . ?
C82 C83 1.378(6) . ?
C83 H83 0.9300 . ?
C83 C84 1.390(6) . ?
C84 H84 0.9300 . ?
C85 C86 1.399(5) . ?
C85 C90 1.395(6) . ?
C85 P4 1.801(4) . ?
C86 H86 0.9300 . ?
C86 C87 1.391(6) . ?
C87 H87 0.9300 . ?
C87 C88 1.374(7) . ?
C88 H88 0.9300 . ?
C88 C89 1.392(6) . ?
C89 H89 0.9300 . ?
C89 C90 1.393(6) . ?
C90 H90 0.9300 . ?
C91 C92 1.408(5) . ?
C91 C96 1.389(5) . ?
C91 P4 1.800(4) . ?
C92 H92 0.9300 . ?
C92 C93 1.380(6) . ?
C93 H93 0.9300 . ?
C93 C94 1.391(7) . ?
C94 H94 0.9300 . ?
C94 C95 1.372(6) . ?
C95 H95 0.9300 . ?
C95 C96 1.396(5) . ?
C96 H96 0.9300 . ?
B13 B14 1.803(5) . ?
B13 B15 1.807(5) . ?
B13 B16 1.809(5) . ?
B13 B17 1.799(5) . ?
B13 B18 1.806(5) . ?
B13 O2 1.420(5) . ?
B14 B15 1.777(5) . ?
B14 B18 1.789(6) . ?
B14 B19 1.790(6) . ?
B14 B20 1.783(5) . ?
B14 Cl16 1.803(4) . ?
B15 B16 1.784(5) . ?
B15 B20 1.791(6) . ?
B15 B21 1.797(5) . ?
B15 Cl12 1.803(4) . ?
B16 B17 1.775(6) . ?
B16 B21 1.795(6) . ?
B16 B22 1.788(6) . ?
B16 Cl13 1.797(4) . ?
B17 B18 1.780(5) . ?
B17 B22 1.780(6) . ?
B17 B23 1.786(6) . ?
B17 Cl18 1.804(4) . ?
B18 B19 1.784(6) . ?
B18 B23 1.784(6) . ?
B18 Cl17 1.805(4) . ?
B19 B20 1.770(6) . ?
B19 B23 1.789(6) . ?
B19 B24 1.781(6) . ?
B19 Cl21 1.787(4) . ?
B20 B21 1.785(5) . ?
B20 B24 1.777(6) . ?
B20 Cl15 1.806(4) . ?
B21 B22 1.783(5) . ?
B21 B24 1.777(5) . ?
B21 Cl14 1.804(4) . ?
B22 B23 1.786(6) . ?
B22 B24 1.782(6) . ?
B22 Cl19 1.804(4) . ?
B23 B24 1.777(6) . ?
B23 Cl20 1.792(4) . ?
B24 Cl22 1.798(4) . ?
C148 H14H 0.9700 . ?
C148 H14I 0.9700 . ?
C148 C149 1.537(5) . ?
C148 O2 1.312(5) . ?
C149 H14J 0.9700 . ?
C149 H14K 0.9700 . ?
C149 C150 1.517(6) . ?
C150 H15A 0.9600 . ?
C150 H15B 0.9600 . ?
C150 H15C 0.9600 . ?
B25 B26 1.795(5) . ?
B25 B27 1.808(5) . ?
B25 B28 1.806(5) . ?
B25 B29 1.810(5) . ?
B25 B30 1.801(5) . ?
B25 O3 1.436(4) . ?
B26 B27 1.780(5) . ?
B26 B30 1.780(5) . ?
B26 B31 1.787(5) . ?
B26 B32 1.786(5) . ?
B26 Cl26 1.810(4) . ?
B27 B28 1.777(5) . ?
B27 B32 1.777(5) . ?
B27 B33 1.784(5) . ?
B27 Cl25 1.800(4) . ?
B28 B29 1.770(5) . ?
B28 B33 1.783(5) . ?
B28 B34 1.786(5) . ?
B28 Cl24 1.808(4) . ?
B29 B30 1.780(5) . ?
B29 B34 1.794(5) . ?
B29 B35 1.786(5) . ?
B29 Cl23 1.808(4) . ?
B30 B31 1.793(5) . ?
B30 B35 1.792(5) . ?
B30 Cl27 1.809(4) . ?
B31 B32 1.777(5) . ?
B31 B35 1.779(5) . ?
B31 B36 1.788(5) . ?
B31 Cl32 1.806(4) . ?
B32 B33 1.782(6) . ?
B32 B36 1.790(5) . ?
B32 Cl31 1.793(4) . ?
B33 B34 1.787(5) . ?
B33 B36 1.784(5) . ?
B33 Cl30 1.804(4) . ?
B34 B35 1.784(5) . ?
B34 B36 1.782(5) . ?
B34 Cl29 1.806(4) . ?
B35 B36 1.792(5) . ?
B35 Cl28 1.796(4) . ?
B36 Cl33 1.788(4) . ?
C151 H15D 0.9700 . ?
C151 H15E 0.9700 . ?
C151 C152 1.515(5) . ?
C151 O3 1.402(4) . ?
C152 H15F 0.9700 . ?
C152 H15G 0.9700 . ?
C152 C153 1.524(6) . ?
C153 H15H 0.9600 . ?
C153 H15I 0.9600 . ?
C153 H15J 0.9600 . ?

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 B4 105.7(3) . . ?
B3 B1 B2 59.3(2) . . ?
B3 B1 B4 58.8(2) . . ?
B5 B1 B2 106.1(3) . . ?
B5 B1 B3 105.9(3) . . ?
B5 B1 B4 59.2(2) . . ?
B5 B1 B6 59.5(2) . . ?
B6 B1 B2 58.8(2) . . ?
B6 B1 B3 105.8(3) . . ?
B6 B1 B4 106.0(3) . . ?
O1 B1 B2 126.6(3) . . ?
O1 B1 B3 125.4(3) . . ?
O1 B1 B4 121.0(3) . . ?
O1 B1 B5 119.0(3) . . ?
O1 B1 B6 122.6(3) . . ?
B1 B2 Cl2 121.5(3) . . ?
B3 B2 B1 60.4(2) . . ?
B3 B2 B7 108.2(3) . . ?
B3 B2 Cl2 121.8(3) . . ?
B6 B2 B1 60.5(2) . . ?
B6 B2 B3 108.0(3) . . ?
B6 B2 B7 60.1(3) . . ?
B6 B2 B8 108.1(3) . . ?
B6 B2 Cl2 122.2(3) . . ?
B7 B2 B1 109.3(3) . . ?
B7 B2 Cl2 120.8(3) . . ?
B8 B2 B1 109.2(3) . . ?
B8 B2 B3 60.2(2) . . ?
B8 B2 B7 59.9(3) . . ?
B8 B2 Cl2 120.6(3) . . ?
B2 B3 B1 60.4(2) . . ?
B2 B3 B8 59.7(2) . . ?
B2 B3 B9 107.9(3) . . ?
B2 B3 Cl1 123.2(3) . . ?
B4 B3 B1 60.7(2) . . ?
B4 B3 B2 108.1(3) . . ?
B4 B3 B8 108.0(3) . . ?
B4 B3 B9 60.2(2) . . ?
B4 B3 Cl1 121.5(3) . . ?
B8 B3 B1 108.8(3) . . ?
B8 B3 B9 60.0(2) . . ?
B8 B3 Cl1 120.5(3) . . ?
B9 B3 B1 109.3(3) . . ?
B9 B3 Cl1 119.4(3) . . ?
Cl1 B3 B1 122.6(3) . . ?
B3 B4 B1 60.5(2) . . ?
B3 B4 B5 107.9(3) . . ?
B3 B4 B9 60.4(2) . . ?
B3 B4 B10 108.4(3) . . ?
B3 B4 Cl5 121.9(3) . . ?
B5 B4 B1 59.9(2) . . ?
B5 B4 B9 108.3(3) . . ?
B5 B4 B10 60.2(2) . . ?
B5 B4 Cl5 120.9(3) . . ?
B9 B4 B1 109.4(3) . . ?
B9 B4 B10 60.2(2) . . ?
B9 B4 Cl5 122.5(3) . . ?
B10 B4 B1 108.9(3) . . ?
B10 B4 Cl5 121.9(3) . . ?
Cl5 B4 B1 119.7(3) . . ?
B1 B5 Cl4 120.3(3) . . ?
B4 B5 B1 60.9(2) . . ?
B4 B5 B6 108.2(3) . . ?
B4 B5 B10 60.3(2) . . ?
B4 B5 B11 107.8(3) . . ?
B4 B5 Cl4 121.9(3) . . ?
B6 B5 B1 60.6(2) . . ?
B6 B5 B10 107.8(3) . . ?
B6 B5 B11 59.8(3) . . ?
B6 B5 Cl4 121.6(3) . . ?
B10 B5 B1 109.8(3) . . ?
B10 B5 Cl4 121.5(3) . . ?
B11 B5 B1 109.2(3) . . ?
B11 B5 B10 59.6(2) . . ?
B11 B5 Cl4 121.5(3) . . ?
B2 B6 B1 60.6(2) . . ?
B2 B6 B5 107.7(3) . . ?
B2 B6 B7 60.6(3) . . ?
B2 B6 B11 108.2(3) . . ?
B2 B6 Cl3 122.0(3) . . ?
B5 B6 B1 59.9(2) . . ?
B5 B6 B7 108.3(3) . . ?
B5 B6 Cl3 121.9(3) . . ?
B7 B6 B1 109.8(3) . . ?
B7 B6 Cl3 120.7(3) . . ?
B11 B6 B1 108.8(3) . . ?
B11 B6 B5 60.1(2) . . ?
B11 B6 B7 60.0(3) . . ?
B11 B6 Cl3 121.0(3) . . ?
Cl3 B6 B1 121.3(3) . . ?
B2 B7 Cl8 123.0(3) . . ?
B6 B7 B2 59.3(3) . . ?
B6 B7 Cl8 124.2(3) . . ?
B8 B7 B2 59.5(2) . . ?
B8 B7 B6 107.0(3) . . ?
B8 B7 Cl8 120.5(3) . . ?
B11 B7 B2 106.9(3) . . ?
B11 B7 B6 59.7(3) . . ?
B11 B7 B8 107.6(3) . . ?
B11 B7 Cl8 122.7(3) . . ?
B12 B7 B2 107.7(3) . . ?
B12 B7 B6 107.7(3) . . ?
B12 B7 B8 60.4(3) . . ?
B12 B7 B11 59.9(3) . . ?
B12 B7 Cl8 119.9(3) . . ?
B2 B8 B3 60.1(2) . . ?
B2 B8 B7 60.6(3) . . ?
B2 B8 B9 108.3(3) . . ?
B2 B8 B12 108.1(3) . . ?
B2 B8 Cl9 121.1(3) . . ?
B3 B8 B9 60.1(2) . . ?
B3 B8 B12 108.0(3) . . ?
B3 B8 Cl9 121.9(3) . . ?
B7 B8 B3 108.6(3) . . ?
B7 B8 B9 108.2(3) . . ?
B7 B8 B12 59.7(3) . . ?
B7 B8 Cl9 120.8(3) . . ?
B9 B8 B12 60.1(2) . . ?
B9 B8 Cl9 122.2(3) . . ?
B12 B8 Cl9 121.9(3) . . ?
B3 B9 B10 107.5(3) . . ?
B3 B9 B12 107.9(3) . . ?
B3 B9 Cl10 121.7(3) . . ?
B4 B9 B3 59.4(2) . . ?
B4 B9 B8 107.4(3) . . ?
B4 B9 B10 60.0(2) . . ?
B4 B9 B12 107.8(3) . . ?
B4 B9 Cl10 121.9(3) . . ?
B8 B9 B3 59.9(2) . . ?
B8 B9 B10 107.7(3) . . ?
B8 B9 B12 60.1(2) . . ?
B8 B9 Cl10 121.9(3) . . ?
B10 B9 Cl10 122.1(3) . . ?
B12 B9 B10 59.8(2) . . ?
B12 B9 Cl10 122.0(3) . . ?
B4 B10 B9 59.8(2) . . ?
B4 B10 Cl6 121.8(3) . . ?
B5 B10 B4 59.5(2) . . ?
B5 B10 B9 107.5(3) . . ?
B5 B10 Cl6 123.0(3) . . ?
B9 B10 Cl6 120.7(3) . . ?
B11 B10 B4 107.6(3) . . ?
B11 B10 B5 60.1(3) . . ?
B11 B10 B9 107.8(3) . . ?
B11 B10 B12 59.9(3) . . ?
B11 B10 Cl6 122.7(3) . . ?
B12 B10 B4 107.8(3) . . ?
B12 B10 B5 107.9(3) . . ?
B12 B10 B9 60.1(2) . . ?
B12 B10 Cl6 121.2(3) . . ?
B5 B11 Cl7 122.0(3) . . ?
B6 B11 B5 60.1(3) . . ?
B6 B11 B7 60.3(3) . . ?
B6 B11 B12 108.2(3) . . ?
B6 B11 Cl7 121.5(3) . . ?
B7 B11 B5 108.5(3) . . ?
B7 B11 Cl7 120.8(3) . . ?
B10 B11 B5 60.3(2) . . ?
B10 B11 B6 108.6(3) . . ?
B10 B11 B7 108.7(3) . . ?
B10 B11 B12 60.4(2) . . ?
B10 B11 Cl7 121.6(3) . . ?
B12 B11 B5 108.4(3) . . ?
B12 B11 B7 59.9(3) . . ?
B12 B11 Cl7 121.3(3) . . ?
B7 B12 B8 60.0(2) . . ?
B7 B12 B9 108.3(3) . . ?
B7 B12 B10 108.3(3) . . ?
B7 B12 Cl11 122.7(3) . . ?
B8 B12 B9 59.9(2) . . ?
B8 B12 Cl11 123.1(3) . . ?
B9 B12 Cl11 120.9(3) . . ?
B10 B12 B8 107.8(3) . . ?
B10 B12 B9 60.1(2) . . ?
B10 B12 Cl11 120.3(3) . . ?
B11 B12 B7 60.2(3) . . ?
B11 B12 B8 107.5(3) . . ?
B11 B12 B9 107.7(3) . . ?
B11 B12 B10 59.7(2) . . ?
B11 B12 Cl11 121.9(3) . . ?
H14A C145 H14B 107.8 . . ?
C146 C145 H14A 109.1 . . ?
C146 C145 H14B 109.1 . . ?
O1 C145 H14A 109.1 . . ?
O1 C145 H14B 109.1 . . ?
O1 C145 C146 112.6(4) . . ?
C145 C146 H14C 109.0 . . ?
C145 C146 H14D 109.0 . . ?
H14C C146 H14D 107.8 . . ?
C147 C146 C145 113.1(4) . . ?
C147 C146 H14C 109.0 . . ?
C147 C146 H14D 109.0 . . ?
C146 C147 H14E 109.5 . . ?
C146 C147 H14F 109.5 . . ?
C146 C147 H14G 109.5 . . ?
H14E C147 H14F 109.5 . . ?
H14E C147 H14G 109.5 . . ?
H14F C147 H14G 109.5 . . ?
C145 O1 B1 124.2(4) . . ?
C98 C97 C102 119.5(3) . . ?
C98 C97 P5 121.2(3) . . ?
C102 C97 P5 119.2(3) . . ?
C97 C98 H98 120.0 . . ?
C99 C98 C97 120.0(4) . . ?
C99 C98 H98 120.0 . . ?
C98 C99 H99 119.8 . . ?
C98 C99 C100 120.5(4) . . ?
C100 C99 H99 119.8 . . ?
C99 C100 H100 119.9 . . ?
C101 C100 C99 120.2(4) . . ?
C101 C100 H100 119.9 . . ?
C100 C101 H101 120.0 . . ?
C100 C101 C102 120.0(4) . . ?
C102 C101 H101 120.0 . . ?
C97 C102 H102 120.1 . . ?
C101 C102 C97 119.9(4) . . ?
C101 C102 H102 120.1 . . ?
C104 C103 P5 116.9(3) . . ?
C108 C103 C104 120.2(3) . . ?
C108 C103 P5 122.5(3) . . ?
C103 C104 H104 120.1 . . ?
C105 C104 C103 119.8(4) . . ?
C105 C104 H104 120.1 . . ?
C104 C105 H105 120.1 . . ?
C106 C105 C104 119.7(4) . . ?
C106 C105 H105 120.1 . . ?
C105 C106 H106 119.7 . . ?
C107 C106 C105 120.6(4) . . ?
C107 C106 H106 119.7 . . ?
C106 C107 H107 119.8 . . ?
C106 C107 C108 120.5(4) . . ?
C108 C107 H107 119.8 . . ?
C103 C108 C107 119.2(4) . . ?
C103 C108 H108 120.4 . . ?
C107 C108 H108 120.4 . . ?
C110 C109 P5 119.9(3) . . ?
C114 C109 C110 119.8(4) . . ?
C114 C109 P5 120.0(3) . . ?
C109 C110 H110 120.3 . . ?
C111 C110 C109 119.3(4) . . ?
C111 C110 H110 120.3 . . ?
C110 C111 H111 119.8 . . ?
C112 C111 C110 120.3(4) . . ?
C112 C111 H111 119.8 . . ?
C111 C112 H112 119.8 . . ?
C113 C112 C111 120.4(4) . . ?
C113 C112 H112 119.8 . . ?
C112 C113 H113 120.0 . . ?
C112 C113 C114 120.0(4) . . ?
C114 C113 H113 120.0 . . ?
C109 C114 H114 120.0 . . ?
C113 C114 C109 120.1(4) . . ?
C113 C114 H114 120.0 . . ?
C116 C115 P5 119.8(3) . . ?
C120 C115 C116 120.5(3) . . ?
C120 C115 P5 119.7(3) . . ?
C115 C116 H116 120.4 . . ?
C117 C116 C115 119.2(4) . . ?
C117 C116 H116 120.4 . . ?
C116 C117 H117 119.8 . . ?
C118 C117 C116 120.4(4) . . ?
C118 C117 H117 119.8 . . ?
C117 C118 H118 119.8 . . ?
C119 C118 C117 120.4(4) . . ?
C119 C118 H118 119.8 . . ?
C118 C119 H119 119.9 . . ?
C118 C119 C120 120.2(4) . . ?
C120 C119 H119 119.9 . . ?
C115 C120 C119 119.2(4) . . ?
C115 C120 H120 120.4 . . ?
C119 C120 H120 120.4 . . ?
C97 P5 C103 105.77(17) . . ?
C97 P5 C109 109.16(17) . . ?
C103 P5 C109 114.16(18) . . ?
C115 P5 C97 110.96(17) . . ?
C115 P5 C103 108.74(17) . . ?
C115 P5 C109 108.07(17) . . ?
C122 C121 P6 121.3(3) . . ?
C126 C121 C122 120.2(4) . . ?
C126 C121 P6 118.5(3) . . ?
C121 C122 H122 120.5 . . ?
C123 C122 C121 119.0(4) . . ?
C123 C122 H122 120.5 . . ?
C122 C123 H123 119.4 . . ?
C124 C123 C122 121.1(4) . . ?
C124 C123 H123 119.4 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.3(4) . . ?
C125 C124 H124 119.9 . . ?
C124 C125 H125 120.1 . . ?
C124 C125 C126 119.8(4) . . ?
C126 C125 H125 120.1 . . ?
C121 C126 H126 120.2 . . ?
C125 C126 C121 119.7(4) . . ?
C125 C126 H126 120.2 . . ?
C128 C127 P6 119.5(3) . . ?
C132 C127 C128 120.1(4) . . ?
C132 C127 P6 120.4(3) . . ?
C127 C128 H128 120.5 . . ?
C129 C128 C127 119.0(4) . . ?
C129 C128 H128 120.5 . . ?
C128 C129 H129 119.6 . . ?
C128 C129 C130 120.9(5) . . ?
C130 C129 H129 119.6 . . ?
C129 C130 H130 119.8 . . ?
C131 C130 C129 120.3(4) . . ?
C131 C130 H130 119.8 . . ?
C130 C131 H131 120.0 . . ?
C130 C131 C132 120.0(4) . . ?
C132 C131 H131 120.0 . . ?
C127 C132 H132 120.2 . . ?
C131 C132 C127 119.7(4) . . ?
C131 C132 H132 120.2 . . ?
C134 C133 C138 119.9(4) . . ?
C134 C133 P6 121.1(3) . . ?
C138 C133 P6 119.0(4) . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 119.9(4) . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0(5) . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 119.8 . . ?
C137 C136 C135 120.3(5) . . ?
C137 C136 H136 119.8 . . ?
C136 C137 H137 119.7 . . ?
C136 C137 C138 120.5(4) . . ?
C138 C137 H137 119.7 . . ?
C133 C138 H138 120.4 . . ?
C137 C138 C133 119.3(5) . . ?
C137 C138 H138 120.4 . . ?
C140 C139 C144 120.4(4) . . ?
C140 C139 P6 122.4(4) . . ?
C144 C139 P6 117.2(4) . . ?
C139 C140 H140 120.3 . . ?
C139 C140 C141 119.4(5) . . ?
C141 C140 H140 120.3 . . ?
C140 C141 H141 119.5 . . ?
C142 C141 C140 120.9(6) . . ?
C142 C141 H141 119.5 . . ?
C141 C142 H142 120.0 . . ?
C141 C142 C143 120.1(5) . . ?
C143 C142 H142 120.0 . . ?
C142 C143 H143 119.8 . . ?
C142 C143 C144 120.4(5) . . ?
C144 C143 H143 119.8 . . ?
C139 C144 H144 120.6 . . ?
C143 C144 C139 118.8(5) . . ?
C143 C144 H144 120.6 . . ?
C121 P6 C127 108.61(18) . . ?
C121 P6 C133 110.1(2) . . ?
C127 P6 C133 108.46(19) . . ?
C139 P6 C121 110.50(19) . . ?
C139 P6 C127 111.5(2) . . ?
C139 P6 C133 107.7(2) . . ?
C26 C25 C30 120.1(3) . . ?
C26 C25 P2 120.3(2) . . ?
C30 C25 P2 119.6(3) . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.1(3) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.6(3) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.7(3) . . ?
C30 C29 H29 120.1 . . ?
C25 C30 H30 120.0 . . ?
C29 C30 C25 119.9(3) . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C36 120.3(3) . . ?
C32 C31 P2 122.6(3) . . ?
C36 C31 P2 116.8(3) . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.3(3) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.4(3) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.0(4) . . ?
C36 C35 H35 120.0 . . ?
C31 C36 H36 120.1 . . ?
C35 C36 C31 119.8(4) . . ?
C35 C36 H36 120.1 . . ?
C38 C37 P2 117.8(3) . . ?
C42 C37 C38 120.6(3) . . ?
C42 C37 P2 121.4(3) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 C37 119.7(3) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 120.2 . . ?
C38 C39 C40 119.6(3) . . ?
C40 C39 H39 120.2 . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 120.9(3) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0(3) . . ?
C42 C41 H41 120.0 . . ?
C37 C42 C41 119.1(3) . . ?
C37 C42 H42 120.5 . . ?
C41 C42 H42 120.5 . . ?
C44 C43 C48 119.8(3) . . ?
C44 C43 P2 120.3(3) . . ?
C48 C43 P2 119.8(3) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 C43 119.6(3) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.4(4) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C47 120.1(3) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 119.9 . . ?
C46 C47 C48 120.3(4) . . ?
C48 C47 H47 119.9 . . ?
C43 C48 H48 120.1 . . ?
C47 C48 C43 119.8(3) . . ?
C47 C48 H48 120.1 . . ?
C25 P2 C31 107.84(15) . . ?
C25 P2 C37 111.68(15) . . ?
C25 P2 C43 109.20(16) . . ?
C37 P2 C31 105.29(16) . . ?
C37 P2 C43 108.38(16) . . ?
C43 P2 C31 114.46(16) . . ?
C50 C49 C54 119.6(3) . . ?
C50 C49 P3 121.1(3) . . ?
C54 C49 P3 119.3(3) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.0(4) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.1(4) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 119.9 . . ?
C51 C52 C53 120.2(4) . . ?
C53 C52 H52 119.9 . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.4(4) . . ?
C54 C53 H53 119.8 . . ?
C49 C54 H54 120.1 . . ?
C53 C54 C49 119.7(4) . . ?
C53 C54 H54 120.1 . . ?
C56 C55 C60 120.0(4) . . ?
C56 C55 P3 119.4(3) . . ?
C60 C55 P3 120.4(3) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0(4) . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C56 C57 C58 119.9(4) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 120.0(4) . . ?
C59 C58 H58 120.0 . . ?
C58 C59 H59 119.5 . . ?
C58 C59 C60 120.9(4) . . ?
C60 C59 H59 119.5 . . ?
C55 C60 H60 120.3 . . ?
C59 C60 C55 119.3(4) . . ?
C59 C60 H60 120.3 . . ?
C62 C61 C66 120.0(4) . . ?
C62 C61 P3 119.3(3) . . ?
C66 C61 P3 120.7(3) . . ?
C61 C62 H62 120.4 . . ?
C63 C62 C61 119.1(4) . . ?
C63 C62 H62 120.4 . . ?
C62 C63 H63 119.6 . . ?
C64 C63 C62 120.9(4) . . ?
C64 C63 H63 119.6 . . ?
C63 C64 H64 120.1 . . ?
C65 C64 C63 119.9(4) . . ?
C65 C64 H64 120.1 . . ?
C64 C65 H65 119.7 . . ?
C64 C65 C66 120.5(4) . . ?
C66 C65 H65 119.7 . . ?
C61 C66 H66 120.2 . . ?
C65 C66 C61 119.6(4) . . ?
C65 C66 H66 120.2 . . ?
C68 C67 P3 119.1(3) . . ?
C72 C67 C68 119.8(3) . . ?
C72 C67 P3 121.0(3) . . ?
C67 C68 H68 120.1 . . ?
C69 C68 C67 119.8(4) . . ?
C69 C68 H68 120.1 . . ?
C68 C69 H69 119.9 . . ?
C70 C69 C68 120.2(4) . . ?
C70 C69 H69 119.9 . . ?
C69 C70 H70 119.8 . . ?
C71 C70 C69 120.4(4) . . ?
C71 C70 H70 119.8 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 120.0(4) . . ?
C72 C71 H71 120.0 . . ?
C67 C72 C71 119.8(4) . . ?
C67 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?
C49 P3 C61 110.22(17) . . ?
C49 P3 C67 108.61(17) . . ?
C55 P3 C49 109.84(17) . . ?
C55 P3 C61 111.13(17) . . ?
C55 P3 C67 109.46(17) . . ?
C61 P3 C67 107.51(17) . . ?
C2 C1 P1 118.0(3) . . ?
C6 C1 C2 120.3(3) . . ?
C6 C1 P1 121.7(3) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.6(4) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.5(4) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(4) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.5(4) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 P1 119.5(3) . . ?
C12 C7 C8 119.7(4) . . ?
C12 C7 P1 120.7(3) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 C7 119.3(4) . . ?
C9 C8 H8 120.4 . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.5(4) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(4) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 119.9(4) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 120.3(4) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C18 119.9(4) . . ?
C14 C13 P1 122.0(3) . . ?
C18 C13 P1 118.2(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(4) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.1(4) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 120.1 . . ?
C17 C18 C13 119.8(4) . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C24 119.9(4) . . ?
C20 C19 P1 121.2(3) . . ?
C24 C19 P1 118.9(3) . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(4) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.7(4) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 120.9(4) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(4) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 120.3 . . ?
C23 C24 C19 119.5(4) . . ?
C23 C24 H24 120.3 . . ?
C1 P1 C7 110.05(17) . . ?
C1 P1 C13 107.44(17) . . ?
C1 P1 C19 110.06(17) . . ?
C7 P1 C13 110.95(18) . . ?
C19 P1 C7 107.86(18) . . ?
C19 P1 C13 110.49(17) . . ?
C74 C73 P4 118.3(3) . . ?
C78 C73 C74 120.0(3) . . ?
C78 C73 P4 121.3(3) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.1(4) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.0(4) . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 119.8 . . ?
C77 C76 C75 120.3(4) . . ?
C77 C76 H76 119.8 . . ?
C76 C77 H77 119.8 . . ?
C76 C77 C78 120.5(4) . . ?
C78 C77 H77 119.8 . . ?
C73 C78 C77 119.0(4) . . ?
C73 C78 H78 120.5 . . ?
C77 C78 H78 120.5 . . ?
C80 C79 C84 120.2(3) . . ?
C80 C79 P4 120.2(3) . . ?
C84 C79 P4 119.5(3) . . ?
C79 C80 H80 120.3 . . ?
C79 C80 C81 119.4(4) . . ?
C81 C80 H80 120.3 . . ?
C80 C81 H81 119.9 . . ?
C82 C81 C80 120.3(4) . . ?
C82 C81 H81 119.9 . . ?
C81 C82 H82 119.9 . . ?
C83 C82 C81 120.2(4) . . ?
C83 C82 H82 119.9 . . ?
C82 C83 H83 119.9 . . ?
C82 C83 C84 120.2(4) . . ?
C84 C83 H83 119.9 . . ?
C79 C84 H84 120.2 . . ?
C83 C84 C79 119.7(4) . . ?
C83 C84 H84 120.2 . . ?
C86 C85 P4 120.4(3) . . ?
C90 C85 C86 119.6(4) . . ?
C90 C85 P4 119.8(3) . . ?
C85 C86 H86 120.0 . . ?
C87 C86 C85 120.0(4) . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 119.9 . . ?
C88 C87 C86 120.3(4) . . ?
C88 C87 H87 119.9 . . ?
C87 C88 H88 120.0 . . ?
C87 C88 C89 120.1(4) . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 119.8 . . ?
C88 C89 C90 120.4(4) . . ?
C90 C89 H89 119.8 . . ?
C85 C90 H90 120.3 . . ?
C89 C90 C85 119.5(4) . . ?
C89 C90 H90 120.3 . . ?
C92 C91 P4 119.7(3) . . ?
C96 C91 C92 119.8(4) . . ?
C96 C91 P4 120.4(3) . . ?
C91 C92 H92 120.1 . . ?
C93 C92 C91 119.7(4) . . ?
C93 C92 H92 120.1 . . ?
C92 C93 H93 119.9 . . ?
C92 C93 C94 120.2(4) . . ?
C94 C93 H93 119.9 . . ?
C93 C94 H94 119.9 . . ?
C95 C94 C93 120.3(4) . . ?
C95 C94 H94 119.9 . . ?
C94 C95 H95 119.7 . . ?
C94 C95 C96 120.5(4) . . ?
C96 C95 H95 119.7 . . ?
C91 C96 C95 119.5(4) . . ?
C91 C96 H96 120.3 . . ?
C95 C96 H96 120.3 . . ?
C79 P4 C73 108.43(17) . . ?
C79 P4 C85 108.44(17) . . ?
C79 P4 C91 110.06(17) . . ?
C85 P4 C73 113.82(17) . . ?
C91 P4 C73 107.34(17) . . ?
C91 P4 C85 108.72(18) . . ?
B14 B13 B15 59.0(2) . . ?
B14 B13 B16 106.0(3) . . ?
B14 B13 B18 59.4(2) . . ?
B15 B13 B16 59.1(2) . . ?
B17 B13 B14 106.2(3) . . ?
B17 B13 B15 105.7(3) . . ?
B17 B13 B16 58.9(2) . . ?
B17 B13 B18 59.2(2) . . ?
B18 B13 B15 106.0(3) . . ?
B18 B13 B16 106.0(3) . . ?
O2 B13 B14 125.1(3) . . ?
O2 B13 B15 130.2(3) . . ?
O2 B13 B16 124.5(3) . . ?
O2 B13 B17 116.9(3) . . ?
O2 B13 B18 117.2(3) . . ?
B15 B14 B13 60.6(2) . . ?
B15 B14 B18 108.0(3) . . ?
B15 B14 B19 108.0(3) . . ?
B15 B14 B20 60.4(2) . . ?
B15 B14 Cl16 121.0(3) . . ?
B18 B14 B13 60.4(2) . . ?
B18 B14 B19 59.8(2) . . ?
B18 B14 Cl16 123.1(2) . . ?
B19 B14 B13 108.9(3) . . ?
B19 B14 Cl16 121.8(3) . . ?
B20 B14 B13 109.2(3) . . ?
B20 B14 B18 107.3(3) . . ?
B20 B14 B19 59.4(2) . . ?
B20 B14 Cl16 120.8(2) . . ?
Cl16 B14 B13 121.3(3) . . ?
B14 B15 B13 60.4(2) . . ?
B14 B15 B16 108.2(3) . . ?
B14 B15 B20 60.0(2) . . ?
B14 B15 B21 108.0(3) . . ?
B14 B15 Cl12 123.1(3) . . ?
B16 B15 B13 60.5(2) . . ?
B16 B15 B20 107.8(3) . . ?
B16 B15 B21 60.2(2) . . ?
B16 B15 Cl12 121.8(2) . . ?
B20 B15 B13 108.7(3) . . ?
B20 B15 B21 59.7(2) . . ?
B20 B15 Cl12 120.0(2) . . ?
B21 B15 B13 109.0(3) . . ?
B21 B15 Cl12 119.0(2) . . ?
Cl12 B15 B13 123.6(2) . . ?
B15 B16 B13 60.4(2) . . ?
B15 B16 B21 60.3(2) . . ?
B15 B16 B22 108.1(3) . . ?
B15 B16 Cl13 120.7(3) . . ?
B17 B16 B13 60.2(2) . . ?
B17 B16 B15 107.7(3) . . ?
B17 B16 B21 107.6(3) . . ?
B17 B16 B22 59.9(2) . . ?
B17 B16 Cl13 123.1(3) . . ?
B21 B16 B13 109.0(3) . . ?
B21 B16 Cl13 120.9(2) . . ?
B22 B16 B13 108.9(3) . . ?
B22 B16 B21 59.7(2) . . ?
B22 B16 Cl13 122.1(3) . . ?
Cl13 B16 B13 120.9(3) . . ?
B13 B17 Cl18 120.9(3) . . ?
B16 B17 B13 60.8(2) . . ?
B16 B17 B18 108.6(3) . . ?
B16 B17 B22 60.4(2) . . ?
B16 B17 B23 108.5(3) . . ?
B16 B17 Cl18 121.9(3) . . ?
B18 B17 B13 60.6(2) . . ?
B18 B17 B23 60.0(2) . . ?
B18 B17 Cl18 121.4(3) . . ?
B22 B17 B13 109.8(3) . . ?
B22 B17 B18 108.3(3) . . ?
B22 B17 B23 60.1(2) . . ?
B22 B17 Cl18 121.0(3) . . ?
B23 B17 B13 109.4(3) . . ?
B23 B17 Cl18 120.7(3) . . ?
B14 B18 B13 60.2(2) . . ?
B14 B18 Cl17 122.7(3) . . ?
B17 B18 B13 60.2(2) . . ?
B17 B18 B14 107.5(3) . . ?
B17 B18 B19 108.0(3) . . ?
B17 B18 B23 60.2(2) . . ?
B17 B18 Cl17 121.6(3) . . ?
B19 B18 B13 109.0(3) . . ?
B19 B18 B14 60.1(2) . . ?
B19 B18 Cl17 121.2(2) . . ?
B23 B18 B13 109.2(3) . . ?
B23 B18 B14 108.3(3) . . ?
B23 B18 B19 60.2(2) . . ?
B23 B18 Cl17 120.3(3) . . ?
Cl17 B18 B13 121.5(3) . . ?
B18 B19 B14 60.1(2) . . ?
B18 B19 B23 59.9(2) . . ?
B18 B19 Cl21 122.7(3) . . ?
B20 B19 B14 60.1(2) . . ?
B20 B19 B18 108.1(3) . . ?
B20 B19 B23 107.9(3) . . ?
B20 B19 B24 60.1(2) . . ?
B20 B19 Cl21 121.2(3) . . ?
B23 B19 B14 108.0(3) . . ?
B24 B19 B14 108.0(3) . . ?
B24 B19 B18 107.6(3) . . ?
B24 B19 B23 59.7(2) . . ?
B24 B19 Cl21 120.9(3) . . ?
Cl21 B19 B14 122.4(3) . . ?
Cl21 B19 B23 121.6(3) . . ?
B14 B20 B15 59.6(2) . . ?
B14 B20 B21 108.3(3) . . ?
B14 B20 Cl15 121.1(3) . . ?
B15 B20 Cl15 120.8(3) . . ?
B19 B20 B14 60.5(2) . . ?
B19 B20 B15 108.3(3) . . ?
B19 B20 B21 108.4(3) . . ?
B19 B20 B24 60.3(2) . . ?
B19 B20 Cl15 122.0(3) . . ?
B21 B20 B15 60.3(2) . . ?
B21 B20 Cl15 121.4(2) . . ?
B24 B20 B14 108.5(3) . . ?
B24 B20 B15 108.1(3) . . ?
B24 B20 B21 59.8(2) . . ?
B24 B20 Cl15 122.5(3) . . ?
B15 B21 Cl14 121.6(2) . . ?
B16 B21 B15 59.5(2) . . ?
B16 B21 Cl14 122.5(2) . . ?
B20 B21 B15 60.0(2) . . ?
B20 B21 B16 107.5(3) . . ?
B20 B21 Cl14 121.1(3) . . ?
B22 B21 B15 107.6(3) . . ?
B22 B21 B16 59.9(2) . . ?
B22 B21 B20 107.8(3) . . ?
B22 B21 Cl14 122.4(2) . . ?
B24 B21 B15 107.8(3) . . ?
B24 B21 B16 107.8(3) . . ?
B24 B21 B20 59.9(2) . . ?
B24 B21 B22 60.1(2) . . ?
B24 B21 Cl14 121.7(3) . . ?
B16 B22 Cl19 121.1(3) . . ?
B17 B22 B16 59.7(2) . . ?
B17 B22 B21 107.9(3) . . ?
B17 B22 B23 60.1(2) . . ?
B17 B22 B24 107.6(3) . . ?
B17 B22 Cl19 120.5(3) . . ?
B21 B22 B16 60.3(2) . . ?
B21 B22 B23 107.9(3) . . ?
B21 B22 Cl19 122.8(2) . . ?
B23 B22 B16 108.0(3) . . ?
B23 B22 Cl19 121.4(3) . . ?
B24 B22 B16 107.9(3) . . ?
B24 B22 B21 59.8(2) . . ?
B24 B22 B23 59.7(2) . . ?
B24 B22 Cl19 123.3(3) . . ?
B17 B23 B19 107.5(3) . . ?
B17 B23 Cl20 124.1(3) . . ?
B18 B23 B17 59.8(2) . . ?
B18 B23 B19 59.9(2) . . ?
B18 B23 B22 107.9(3) . . ?
B18 B23 Cl20 122.3(3) . . ?
B19 B23 Cl20 120.2(3) . . ?
B22 B23 B17 59.8(2) . . ?
B22 B23 B19 107.9(3) . . ?
B22 B23 Cl20 122.4(3) . . ?
B24 B23 B17 107.5(3) . . ?
B24 B23 B18 107.8(3) . . ?
B24 B23 B19 59.9(2) . . ?
B24 B23 B22 60.0(2) . . ?
B24 B23 Cl20 120.3(3) . . ?
B19 B24 B22 108.5(3) . . ?
B19 B24 Cl22 118.9(3) . . ?
B20 B24 B19 59.7(2) . . ?
B20 B24 B22 108.2(3) . . ?
B20 B24 Cl22 121.1(3) . . ?
B21 B24 B19 108.3(3) . . ?
B21 B24 B20 60.3(2) . . ?
B21 B24 B22 60.1(2) . . ?
B21 B24 B23 108.5(3) . . ?
B21 B24 Cl22 123.7(3) . . ?
B22 B24 Cl22 123.5(3) . . ?
B23 B24 B19 60.4(2) . . ?
B23 B24 B20 108.1(3) . . ?
B23 B24 B22 60.2(2) . . ?
B23 B24 Cl22 120.3(3) . . ?
H14H C148 H14I 108.1 . . ?
C149 C148 H14H 109.5 . . ?
C149 C148 H14I 109.5 . . ?
O2 C148 H14H 109.5 . . ?
O2 C148 H14I 109.5 . . ?
O2 C148 C149 110.8(3) . . ?
C148 C149 H14J 109.5 . . ?
C148 C149 H14K 109.5 . . ?
H14J C149 H14K 108.1 . . ?
C150 C149 C148 110.6(3) . . ?
C150 C149 H14J 109.5 . . ?
C150 C149 H14K 109.5 . . ?
C149 C150 H15A 109.5 . . ?
C149 C150 H15B 109.5 . . ?
C149 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C148 O2 B13 123.4(3) . . ?
B26 B25 B27 59.2(2) . . ?
B26 B25 B28 105.7(3) . . ?
B26 B25 B29 105.9(3) . . ?
B26 B25 B30 59.3(2) . . ?
B27 B25 B29 105.5(3) . . ?
B28 B25 B27 58.9(2) . . ?
B28 B25 B29 58.6(2) . . ?
B30 B25 B27 106.1(3) . . ?
B30 B25 B28 105.5(3) . . ?
B30 B25 B29 59.1(2) . . ?
O3 B25 B26 125.0(3) . . ?
O3 B25 B27 118.2(3) . . ?
O3 B25 B28 118.0(3) . . ?
O3 B25 B29 124.4(3) . . ?
O3 B25 B30 129.1(3) . . ?
B25 B26 Cl26 120.2(2) . . ?
B27 B26 B25 60.7(2) . . ?
B27 B26 B31 107.5(3) . . ?
B27 B26 B32 59.8(2) . . ?
B27 B26 Cl26 121.8(2) . . ?
B30 B26 B25 60.5(2) . . ?
B30 B26 B27 108.1(3) . . ?
B30 B26 B31 60.4(2) . . ?
B30 B26 B32 108.2(3) . . ?
B30 B26 Cl26 121.5(2) . . ?
B31 B26 B25 109.2(3) . . ?
B31 B26 Cl26 121.9(2) . . ?
B32 B26 B25 109.3(3) . . ?
B32 B26 B31 59.7(2) . . ?
B32 B26 Cl26 121.8(2) . . ?
B26 B27 B25 60.1(2) . . ?
B26 B27 B33 108.3(3) . . ?
B26 B27 Cl25 122.5(2) . . ?
B28 B27 B25 60.5(2) . . ?
B28 B27 B26 107.6(3) . . ?
B28 B27 B32 107.9(3) . . ?
B28 B27 B33 60.1(2) . . ?
B28 B27 Cl25 121.4(2) . . ?
B32 B27 B25 109.1(3) . . ?
B32 B27 B26 60.3(2) . . ?
B32 B27 B33 60.1(2) . . ?
B32 B27 Cl25 121.8(2) . . ?
B33 B27 B25 109.5(3) . . ?
B33 B27 Cl25 120.8(2) . . ?
Cl25 B27 B25 120.7(2) . . ?
B25 B28 Cl24 119.5(2) . . ?
B27 B28 B25 60.6(2) . . ?
B27 B28 B33 60.1(2) . . ?
B27 B28 B34 108.4(3) . . ?
B27 B28 Cl24 120.8(2) . . ?
B29 B28 B25 60.8(2) . . ?
B29 B28 B27 108.6(3) . . ?
B29 B28 B33 108.7(3) . . ?
B29 B28 B34 60.6(2) . . ?
B29 B28 Cl24 121.6(2) . . ?
B33 B28 B25 109.6(3) . . ?
B33 B28 B34 60.1(2) . . ?
B33 B28 Cl24 121.6(2) . . ?
B34 B28 B25 109.9(3) . . ?
B34 B28 Cl24 122.1(2) . . ?
B28 B29 B25 60.6(2) . . ?
B28 B29 B30 107.9(3) . . ?
B28 B29 B34 60.2(2) . . ?
B28 B29 B35 107.8(3) . . ?
B28 B29 Cl23 120.9(2) . . ?
B30 B29 B25 60.2(2) . . ?
B30 B29 B34 108.3(3) . . ?
B30 B29 B35 60.3(2) . . ?
B30 B29 Cl23 122.9(2) . . ?
B34 B29 B25 109.4(2) . . ?
B34 B29 Cl23 120.3(2) . . ?
B35 B29 B25 109.0(3) . . ?
B35 B29 B34 59.8(2) . . ?
B35 B29 Cl23 121.9(2) . . ?
Cl23 B29 B25 121.1(2) . . ?
B25 B30 Cl27 123.5(2) . . ?
B26 B30 B25 60.2(2) . . ?
B26 B30 B29 107.8(3) . . ?
B26 B30 B31 60.0(2) . . ?
B26 B30 B35 107.7(3) . . ?
B26 B30 Cl27 122.6(2) . . ?
B29 B30 B25 60.7(2) . . ?
B29 B30 B31 107.4(3) . . ?
B29 B30 B35 60.0(2) . . ?
B29 B30 Cl27 122.8(2) . . ?
B31 B30 B25 108.7(3) . . ?
B31 B30 Cl27 119.5(2) . . ?
B35 B30 B25 109.2(3) . . ?
B35 B30 B31 59.5(2) . . ?
B35 B30 Cl27 119.4(2) . . ?
B26 B31 B30 59.6(2) . . ?
B26 B31 B36 108.5(3) . . ?
B26 B31 Cl32 123.1(2) . . ?
B30 B31 Cl32 122.4(2) . . ?
B32 B31 B26 60.1(2) . . ?
B32 B31 B30 108.0(3) . . ?
B32 B31 B35 108.3(3) . . ?
B32 B31 B36 60.3(2) . . ?
B32 B31 Cl32 121.7(2) . . ?
B35 B31 B26 108.0(3) . . ?
B35 B31 B30 60.2(2) . . ?
B35 B31 B36 60.3(2) . . ?
B35 B31 Cl32 120.6(2) . . ?
B36 B31 B30 108.6(3) . . ?
B36 B31 Cl32 119.9(2) . . ?
B26 B32 B36 108.4(3) . . ?
B26 B32 Cl31 120.6(3) . . ?
B27 B32 B26 59.9(2) . . ?
B27 B32 B31 108.1(3) . . ?
B27 B32 B33 60.1(2) . . ?
B27 B32 B36 108.2(3) . . ?
B27 B32 Cl31 121.8(2) . . ?
B31 B32 B26 60.2(2) . . ?
B31 B32 B33 108.0(3) . . ?
B31 B32 B36 60.2(2) . . ?
B31 B32 Cl31 121.0(2) . . ?
B33 B32 B26 108.1(3) . . ?
B33 B32 B36 59.9(2) . . ?
B33 B32 Cl31 122.8(2) . . ?
B36 B32 Cl31 122.0(2) . . ?
B27 B33 B34 108.1(3) . . ?
B27 B33 B36 108.2(3) . . ?
B27 B33 Cl30 122.1(2) . . ?
B28 B33 B27 59.8(2) . . ?
B28 B33 B34 60.1(2) . . ?
B28 B33 B36 107.8(2) . . ?
B28 B33 Cl30 121.7(2) . . ?
B32 B33 B27 59.8(2) . . ?
B32 B33 B28 107.4(3) . . ?
B32 B33 B34 107.9(3) . . ?
B32 B33 B36 60.3(2) . . ?
B32 B33 Cl30 122.6(2) . . ?
B34 B33 Cl30 121.0(2) . . ?
B36 B33 B34 59.9(2) . . ?
B36 B33 Cl30 121.5(2) . . ?
B28 B34 B29 59.3(2) . . ?
B28 B34 B33 59.9(2) . . ?
B28 B34 Cl29 122.6(2) . . ?
B29 B34 Cl29 121.9(2) . . ?
B33 B34 B29 107.5(3) . . ?
B33 B34 Cl29 122.2(2) . . ?
B35 B34 B28 107.2(3) . . ?
B35 B34 B29 59.9(2) . . ?
B35 B34 B33 107.9(3) . . ?
B35 B34 Cl29 121.5(2) . . ?
B36 B34 B28 107.7(3) . . ?
B36 B34 B29 108.2(3) . . ?
B36 B34 B33 60.0(2) . . ?
B36 B34 B35 60.3(2) . . ?
B36 B34 Cl29 121.3(2) . . ?
B29 B35 B30 59.7(2) . . ?
B29 B35 B36 108.1(3) . . ?
B29 B35 Cl28 122.2(2) . . ?
B30 B35 B36 108.4(3) . . ?
B30 B35 Cl28 120.7(2) . . ?
B31 B35 B29 107.8(3) . . ?
B31 B35 B30 60.3(2) . . ?
B31 B35 B34 107.9(3) . . ?
B31 B35 B36 60.1(2) . . ?
B31 B35 Cl28 120.9(2) . . ?
B34 B35 B29 60.3(2) . . ?
B34 B35 B30 108.2(3) . . ?
B34 B35 B36 59.8(2) . . ?
B34 B35 Cl28 122.7(2) . . ?
B36 B35 Cl28 121.8(2) . . ?
B31 B36 B32 59.6(2) . . ?
B31 B36 B35 59.6(2) . . ?
B32 B36 B35 107.2(3) . . ?
B33 B36 B31 107.4(3) . . ?
B33 B36 B32 59.8(2) . . ?
B33 B36 B35 107.6(3) . . ?
B33 B36 Cl33 121.6(2) . . ?
B34 B36 B31 107.5(2) . . ?
B34 B36 B32 107.8(3) . . ?
B34 B36 B33 60.1(2) . . ?
B34 B36 B35 59.9(2) . . ?
B34 B36 Cl33 122.7(2) . . ?
Cl33 B36 B31 121.7(2) . . ?
Cl33 B36 B32 121.0(2) . . ?
Cl33 B36 B35 123.0(2) . . ?
H15D C151 H15E 108.5 . . ?
C152 C151 H15D 110.2 . . ?
C152 C151 H15E 110.2 . . ?
O3 C151 H15D 110.2 . . ?
O3 C151 H15E 110.2 . . ?
O3 C151 C152 107.6(3) . . ?
C151 C152 H15F 109.2 . . ?
C151 C152 H15G 109.2 . . ?
C151 C152 C153 112.3(3) . . ?
H15F C152 H15G 107.9 . . ?
C153 C152 H15F 109.2 . . ?
C153 C152 H15G 109.2 . . ?
C152 C153 H15H 109.5 . . ?
C152 C153 H15I 109.5 . . ?
C152 C153 H15J 109.5 . . ?
H15H C153 H15I 109.5 . . ?
H15H C153 H15J 109.5 . . ?
H15I C153 H15J 109.5 . . ?
C151 O3 B25 122.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 B2 B3 B4 -38.9(3) . . . . ?
B1 B2 B3 B8 -139.7(3) . . . . ?
B1 B2 B3 B9 -102.5(3) . . . . ?
B1 B2 B3 Cl1 111.6(3) . . . . ?
B1 B2 B6 B5 38.3(3) . . . . ?
B1 B2 B6 B7 139.7(3) . . . . ?
B1 B2 B6 B11 101.8(3) . . . . ?
B1 B2 B6 Cl3 -110.5(4) . . . . ?
B1 B2 B7 B6 -36.6(3) . . . . ?
B1 B2 B7 B8 101.5(3) . . . . ?
B1 B2 B7 B11 0.8(4) . . . . ?
B1 B2 B7 B12 63.8(4) . . . . ?
B1 B2 B7 Cl8 -149.8(3) . . . . ?
B1 B2 B8 B3 36.6(3) . . . . ?
B1 B2 B8 B7 -101.7(3) . . . . ?
B1 B2 B8 B9 -0.7(4) . . . . ?
B1 B2 B8 B12 -64.2(4) . . . . ?
B1 B2 B8 Cl9 148.0(3) . . . . ?
B1 B3 B4 B5 -38.1(3) . . . . ?
B1 B3 B4 B9 -139.4(3) . . . . ?
B1 B3 B4 B10 -101.8(3) . . . . ?
B1 B3 B4 Cl5 108.6(3) . . . . ?
B1 B3 B8 B2 -36.5(3) . . . . ?
B1 B3 B8 B7 1.2(4) . . . . ?
B1 B3 B8 B9 102.0(3) . . . . ?
B1 B3 B8 B12 64.4(4) . . . . ?
B1 B3 B8 Cl9 -146.6(3) . . . . ?
B1 B3 B9 B4 37.0(3) . . . . ?
B1 B3 B9 B8 -101.1(3) . . . . ?
B1 B3 B9 B10 -0.4(4) . . . . ?
B1 B3 B9 B12 -63.5(3) . . . . ?
B1 B3 B9 Cl10 147.8(3) . . . . ?
B1 B4 B5 B6 -39.3(3) . . . . ?
B1 B4 B5 B10 -139.8(3) . . . . ?
B1 B4 B5 B11 -102.5(3) . . . . ?
B1 B4 B5 Cl4 109.6(3) . . . . ?
B1 B4 B9 B3 -36.9(3) . . . . ?
B1 B4 B9 B8 0.4(4) . . . . ?
B1 B4 B9 B10 101.2(3) . . . . ?
B1 B4 B9 B12 63.8(3) . . . . ?
B1 B4 B9 Cl10 -147.4(3) . . . . ?
B1 B4 B10 B5 36.2(3) . . . . ?
B1 B4 B10 B9 -102.0(3) . . . . ?
B1 B4 B10 B11 -1.2(4) . . . . ?
B1 B4 B10 B12 -64.5(4) . . . . ?
B1 B4 B10 Cl6 148.5(3) . . . . ?
B1 B5 B6 B2 -38.6(3) . . . . ?
B1 B5 B6 B7 -102.7(3) . . . . ?
B1 B5 B6 B11 -139.8(3) . . . . ?
B1 B5 B6 Cl3 110.2(4) . . . . ?
B1 B5 B10 B4 -36.9(3) . . . . ?
B1 B5 B10 B9 0.3(4) . . . . ?
B1 B5 B10 B11 101.2(3) . . . . ?
B1 B5 B10 B12 63.7(4) . . . . ?
B1 B5 B10 Cl6 -147.2(3) . . . . ?
B1 B5 B11 B6 36.5(3) . . . . ?
B1 B5 B11 B7 -0.8(4) . . . . ?
B1 B5 B11 B10 -102.2(3) . . . . ?
B1 B5 B11 B12 -64.3(4) . . . . ?
B1 B5 B11 Cl7 147.0(3) . . . . ?
B1 B6 B7 B2 36.8(3) . . . . ?
B1 B6 B7 B8 -0.1(4) . . . . ?
B1 B6 B7 B11 -100.9(3) . . . . ?
B1 B6 B7 B12 -63.7(4) . . . . ?
B1 B6 B7 Cl8 148.0(3) . . . . ?
B1 B6 B11 B5 -36.1(3) . . . . ?
B1 B6 B11 B7 102.4(3) . . . . ?
B1 B6 B11 B10 1.1(4) . . . . ?
B1 B6 B11 B12 65.1(4) . . . . ?
B1 B6 B11 Cl7 -147.5(3) . . . . ?
B2 B1 B3 B4 136.8(3) . . . . ?
B2 B1 B3 B8 36.2(3) . . . . ?
B2 B1 B3 B9 100.1(3) . . . . ?
B2 B1 B3 Cl1 -112.6(3) . . . . ?
B2 B1 B4 B3 -37.7(3) . . . . ?
B2 B1 B4 B5 99.6(3) . . . . ?
B2 B1 B4 B9 -0.8(4) . . . . ?
B2 B1 B4 B10 63.3(3) . . . . ?
B2 B1 B4 Cl5 -149.7(3) . . . . ?
B2 B1 B5 B4 -99.0(3) . . . . ?
B2 B1 B5 B6 37.4(3) . . . . ?
B2 B1 B5 B10 -62.4(4) . . . . ?
B2 B1 B5 B11 1.2(4) . . . . ?
B2 B1 B5 Cl4 149.0(3) . . . . ?
B2 B1 B6 B5 -137.0(3) . . . . ?
B2 B1 B6 B7 -36.8(3) . . . . ?
B2 B1 B6 B11 -100.8(3) . . . . ?
B2 B1 B6 Cl3 111.7(3) . . . . ?
B2 B1 O1 C145 44.0(7) . . . . ?
B2 B3 B4 B1 38.8(3) . . . . ?
B2 B3 B4 B5 0.7(4) . . . . ?
B2 B3 B4 B9 -100.7(3) . . . . ?
B2 B3 B4 B10 -63.0(4) . . . . ?
B2 B3 B4 Cl5 147.4(3) . . . . ?
B2 B3 B8 B7 37.7(3) . . . . ?
B2 B3 B8 B9 138.5(3) . . . . ?
B2 B3 B8 B12 100.9(3) . . . . ?
B2 B3 B8 Cl9 -110.1(3) . . . . ?
B2 B3 B9 B4 101.0(3) . . . . ?
B2 B3 B9 B8 -37.0(3) . . . . ?
B2 B3 B9 B10 63.7(3) . . . . ?
B2 B3 B9 B12 0.6(4) . . . . ?
B2 B3 B9 Cl10 -148.1(3) . . . . ?
B2 B6 B7 B8 -36.9(3) . . . . ?
B2 B6 B7 B11 -137.7(3) . . . . ?
B2 B6 B7 B12 -100.5(3) . . . . ?
B2 B6 B7 Cl8 111.2(4) . . . . ?
B2 B6 B11 B5 -100.4(3) . . . . ?
B2 B6 B11 B7 38.1(3) . . . . ?
B2 B6 B11 B10 -63.2(4) . . . . ?
B2 B6 B11 B12 0.8(4) . . . . ?
B2 B6 B11 Cl7 148.1(3) . . . . ?
B2 B7 B8 B3 -37.5(3) . . . . ?
B2 B7 B8 B9 -101.2(3) . . . . ?
B2 B7 B8 B12 -137.9(3) . . . . ?
B2 B7 B8 Cl9 110.7(3) . . . . ?
B2 B7 B11 B5 0.0(4) . . . . ?
B2 B7 B11 B6 -37.2(3) . . . . ?
B2 B7 B11 B10 64.0(4) . . . . ?
B2 B7 B11 B12 101.0(3) . . . . ?
B2 B7 B11 Cl7 -148.3(3) . . . . ?
B2 B7 B12 B8 37.3(3) . . . . ?
B2 B7 B12 B9 0.6(4) . . . . ?
B2 B7 B12 B10 -63.0(4) . . . . ?
B2 B7 B12 B11 -99.7(3) . . . . ?
B2 B7 B12 Cl11 149.5(3) . . . . ?
B2 B8 B9 B3 37.3(3) . . . . ?
B2 B8 B9 B4 0.1(4) . . . . ?
B2 B8 B9 B10 -63.2(3) . . . . ?
B2 B8 B9 B12 -100.7(3) . . . . ?
B2 B8 B9 Cl10 148.0(3) . . . . ?
B2 B8 B12 B7 -37.9(3) . . . . ?
B2 B8 B12 B9 101.1(3) . . . . ?
B2 B8 B12 B10 63.4(4) . . . . ?
B2 B8 B12 B11 0.5(4) . . . . ?
B2 B8 B12 Cl11 -149.5(3) . . . . ?
B3 B1 B2 B6 -136.9(3) . . . . ?
B3 B1 B2 B7 -100.4(3) . . . . ?
B3 B1 B2 B8 -36.5(3) . . . . ?
B3 B1 B2 Cl2 111.3(3) . . . . ?
B3 B1 B4 B5 137.3(3) . . . . ?
B3 B1 B4 B9 36.8(3) . . . . ?
B3 B1 B4 B10 100.9(3) . . . . ?
B3 B1 B4 Cl5 -112.1(3) . . . . ?
B3 B1 B5 B4 -37.1(3) . . . . ?
B3 B1 B5 B6 99.3(3) . . . . ?
B3 B1 B5 B10 -0.5(4) . . . . ?
B3 B1 B5 B11 63.1(4) . . . . ?
B3 B1 B5 Cl4 -149.2(3) . . . . ?
B3 B1 B6 B2 37.6(3) . . . . ?
B3 B1 B6 B5 -99.4(3) . . . . ?
B3 B1 B6 B7 0.8(4) . . . . ?
B3 B1 B6 B11 -63.2(4) . . . . ?
B3 B1 B6 Cl3 149.3(3) . . . . ?
B3 B1 O1 C145 -31.3(7) . . . . ?
B3 B2 B6 B1 -38.6(3) . . . . ?
B3 B2 B6 B5 -0.4(4) . . . . ?
B3 B2 B6 B7 101.1(3) . . . . ?
B3 B2 B6 B11 63.2(4) . . . . ?
B3 B2 B6 Cl3 -149.2(3) . . . . ?
B3 B2 B7 B6 -100.8(3) . . . . ?
B3 B2 B7 B8 37.4(3) . . . . ?
B3 B2 B7 B11 -63.3(4) . . . . ?
B3 B2 B7 B12 -0.3(4) . . . . ?
B3 B2 B7 Cl8 146.1(3) . . . . ?
B3 B2 B8 B7 -138.3(3) . . . . ?
B3 B2 B8 B9 -37.2(3) . . . . ?
B3 B2 B8 B12 -100.8(3) . . . . ?
B3 B2 B8 Cl9 111.4(3) . . . . ?
B3 B4 B5 B1 38.4(3) . . . . ?
B3 B4 B5 B6 -0.9(4) . . . . ?
B3 B4 B5 B10 -101.4(3) . . . . ?
B3 B4 B5 B11 -64.2(3) . . . . ?
B3 B4 B5 Cl4 147.9(3) . . . . ?
B3 B4 B9 B8 37.3(3) . . . . ?
B3 B4 B9 B10 138.1(3) . . . . ?
B3 B4 B9 B12 100.7(3) . . . . ?
B3 B4 B9 Cl10 -110.6(3) . . . . ?
B3 B4 B10 B5 100.5(3) . . . . ?
B3 B4 B10 B9 -37.7(3) . . . . ?
B3 B4 B10 B11 63.1(3) . . . . ?
B3 B4 B10 B12 -0.2(4) . . . . ?
B3 B4 B10 Cl6 -147.2(3) . . . . ?
B3 B8 B9 B4 -37.1(3) . . . . ?
B3 B8 B9 B10 -100.4(3) . . . . ?
B3 B8 B9 B12 -138.0(3) . . . . ?
B3 B8 B9 Cl10 110.8(3) . . . . ?
B3 B8 B12 B7 -101.4(3) . . . . ?
B3 B8 B12 B9 37.6(3) . . . . ?
B3 B8 B12 B10 -0.1(4) . . . . ?
B3 B8 B12 B11 -63.1(4) . . . . ?
B3 B8 B12 Cl11 147.0(3) . . . . ?
B3 B9 B10 B4 37.1(3) . . . . ?
B3 B9 B10 B5 0.1(4) . . . . ?
B3 B9 B10 B11 -63.3(4) . . . . ?
B3 B9 B10 B12 -100.9(3) . . . . ?
B3 B9 B10 Cl6 148.4(3) . . . . ?
B3 B9 B12 B7 -0.7(4) . . . . ?
B3 B9 B12 B8 -37.5(3) . . . . ?
B3 B9 B12 B10 100.3(3) . . . . ?
B3 B9 B12 B11 62.9(4) . . . . ?
B3 B9 B12 Cl11 -150.3(3) . . . . ?
B4 B1 B2 B3 37.4(3) . . . . ?
B4 B1 B2 B6 -99.5(3) . . . . ?
B4 B1 B2 B7 -63.0(4) . . . . ?
B4 B1 B2 B8 0.9(4) . . . . ?
B4 B1 B2 Cl2 148.7(3) . . . . ?
B4 B1 B3 B2 -136.8(3) . . . . ?
B4 B1 B3 B8 -100.6(3) . . . . ?
B4 B1 B3 B9 -36.7(3) . . . . ?
B4 B1 B3 Cl1 110.6(3) . . . . ?
B4 B1 B5 B6 136.4(3) . . . . ?
B4 B1 B5 B10 36.6(3) . . . . ?
B4 B1 B5 B11 100.2(3) . . . . ?
B4 B1 B5 Cl4 -112.1(3) . . . . ?
B4 B1 B6 B2 98.9(3) . . . . ?
B4 B1 B6 B5 -38.0(3) . . . . ?
B4 B1 B6 B7 62.2(4) . . . . ?
B4 B1 B6 B11 -1.8(4) . . . . ?
B4 B1 B6 Cl3 -149.3(3) . . . . ?
B4 B1 O1 C145 -102.9(6) . . . . ?
B4 B3 B8 B2 -100.9(3) . . . . ?
B4 B3 B8 B7 -63.2(4) . . . . ?
B4 B3 B8 B9 37.6(3) . . . . ?
B4 B3 B8 B12 0.0(4) . . . . ?
B4 B3 B8 Cl9 149.0(3) . . . . ?
B4 B3 B9 B8 -138.0(3) . . . . ?
B4 B3 B9 B10 -37.3(3) . . . . ?
B4 B3 B9 B12 -100.5(3) . . . . ?
B4 B3 B9 Cl10 110.9(3) . . . . ?
B4 B5 B6 B1 39.4(3) . . . . ?
B4 B5 B6 B2 0.8(4) . . . . ?
B4 B5 B6 B7 -63.2(4) . . . . ?
B4 B5 B6 B11 -100.4(3) . . . . ?
B4 B5 B6 Cl3 149.6(3) . . . . ?
B4 B5 B10 B9 37.1(3) . . . . ?
B4 B5 B10 B11 138.1(3) . . . . ?
B4 B5 B10 B12 100.5(3) . . . . ?
B4 B5 B10 Cl6 -110.3(3) . . . . ?
B4 B5 B11 B6 101.2(3) . . . . ?
B4 B5 B11 B7 63.9(4) . . . . ?
B4 B5 B11 B10 -37.6(3) . . . . ?
B4 B5 B11 B12 0.3(4) . . . . ?
B4 B5 B11 Cl7 -148.3(3) . . . . ?
B4 B9 B10 B5 -37.0(3) . . . . ?
B4 B9 B10 B11 -100.4(3) . . . . ?
B4 B9 B10 B12 -138.0(3) . . . . ?
B4 B9 B10 Cl6 111.3(3) . . . . ?
B4 B9 B12 B7 -63.5(4) . . . . ?
B4 B9 B12 B8 -100.2(3) . . . . ?
B4 B9 B12 B10 37.5(3) . . . . ?
B4 B9 B12 B11 0.1(4) . . . . ?
B4 B9 B12 Cl11 147.0(3) . . . . ?
B4 B10 B11 B5 37.2(3) . . . . ?
B4 B10 B11 B6 0.1(4) . . . . ?
B4 B10 B11 B7 -63.9(4) . . . . ?
B4 B10 B11 B12 -100.7(3) . . . . ?
B4 B10 B11 Cl7 148.7(3) . . . . ?
B4 B10 B12 B7 63.6(4) . . . . ?
B4 B10 B12 B8 0.2(4) . . . . ?
B4 B10 B12 B9 -37.4(3) . . . . ?
B4 B10 B12 B11 100.5(3) . . . . ?
B4 B10 B12 Cl11 -148.0(3) . . . . ?
B5 B1 B2 B3 99.2(3) . . . . ?
B5 B1 B2 B6 -37.7(3) . . . . ?
B5 B1 B2 B7 -1.2(4) . . . . ?
B5 B1 B2 B8 62.7(4) . . . . ?
B5 B1 B2 Cl2 -149.5(3) . . . . ?
B5 B1 B3 B2 -99.5(3) . . . . ?
B5 B1 B3 B4 37.3(3) . . . . ?
B5 B1 B3 B8 -63.3(3) . . . . ?
B5 B1 B3 B9 0.6(4) . . . . ?
B5 B1 B3 Cl1 147.9(3) . . . . ?
B5 B1 B4 B3 -137.3(3) . . . . ?
B5 B1 B4 B9 -100.4(3) . . . . ?
B5 B1 B4 B10 -36.3(3) . . . . ?
B5 B1 B4 Cl5 110.6(3) . . . . ?
B5 B1 B6 B2 137.0(3) . . . . ?
B5 B1 B6 B7 100.2(3) . . . . ?
B5 B1 B6 B11 36.2(3) . . . . ?
B5 B1 B6 Cl3 -111.3(3) . . . . ?
B5 B1 O1 C145 -172.3(5) . . . . ?
B5 B4 B9 B3 -100.6(3) . . . . ?
B5 B4 B9 B8 -63.2(3) . . . . ?
B5 B4 B9 B10 37.5(3) . . . . ?
B5 B4 B9 B12 0.1(4) . . . . ?
B5 B4 B9 Cl10 148.9(3) . . . . ?
B5 B4 B10 B9 -138.2(3) . . . . ?
B5 B4 B10 B11 -37.4(3) . . . . ?
B5 B4 B10 B12 -100.7(3) . . . . ?
B5 B4 B10 Cl6 112.3(3) . . . . ?
B5 B6 B7 B2 100.5(3) . . . . ?
B5 B6 B7 B8 63.6(4) . . . . ?
B5 B6 B7 B11 -37.2(3) . . . . ?
B5 B6 B7 B12 0.0(4) . . . . ?
B5 B6 B7 Cl8 -148.3(3) . . . . ?
B5 B6 B11 B7 138.5(3) . . . . ?
B5 B6 B11 B10 37.2(3) . . . . ?
B5 B6 B11 B12 101.2(3) . . . . ?
B5 B6 B11 Cl7 -111.4(4) . . . . ?
B5 B10 B11 B6 -37.1(3) . . . . ?
B5 B10 B11 B7 -101.1(3) . . . . ?
B5 B10 B11 B12 -137.9(3) . . . . ?
B5 B10 B11 Cl7 111.5(4) . . . . ?
B5 B10 B12 B7 0.7(4) . . . . ?
B5 B10 B12 B8 -62.7(4) . . . . ?
B5 B10 B12 B9 -100.3(3) . . . . ?
B5 B10 B12 B11 37.6(3) . . . . ?
B5 B10 B12 Cl11 149.2(3) . . . . ?
B5 B11 B12 B7 101.1(3) . . . . ?
B5 B11 B12 B8 62.9(4) . . . . ?
B5 B11 B12 B9 -0.3(4) . . . . ?
B5 B11 B12 B10 -37.9(3) . . . . ?
B5 B11 B12 Cl11 -146.8(3) . . . . ?
B6 B1 B2 B3 136.9(3) . . . . ?
B6 B1 B2 B7 36.5(3) . . . . ?
B6 B1 B2 B8 100.4(3) . . . . ?
B6 B1 B2 Cl2 -111.8(3) . . . . ?
B6 B1 B3 B2 -37.4(3) . . . . ?
B6 B1 B3 B4 99.4(3) . . . . ?
B6 B1 B3 B8 -1.2(4) . . . . ?
B6 B1 B3 B9 62.7(3) . . . . ?
B6 B1 B3 Cl1 -150.0(3) . . . . ?
B6 B1 B4 B3 -99.1(3) . . . . ?
B6 B1 B4 B5 38.2(3) . . . . ?
B6 B1 B4 B9 -62.2(3) . . . . ?
B6 B1 B4 B10 1.9(4) . . . . ?
B6 B1 B4 Cl5 148.9(3) . . . . ?
B6 B1 B5 B4 -136.4(3) . . . . ?
B6 B1 B5 B10 -99.8(3) . . . . ?
B6 B1 B5 B11 -36.2(3) . . . . ?
B6 B1 B5 Cl4 111.6(3) . . . . ?
B6 B1 O1 C145 117.2(6) . . . . ?
B6 B2 B3 B1 38.7(3) . . . . ?
B6 B2 B3 B4 -0.2(4) . . . . ?
B6 B2 B3 B8 -100.9(3) . . . . ?
B6 B2 B3 B9 -63.8(4) . . . . ?
B6 B2 B3 Cl1 150.4(3) . . . . ?
B6 B2 B7 B8 138.2(3) . . . . ?
B6 B2 B7 B11 37.4(3) . . . . ?
B6 B2 B7 B12 100.5(3) . . . . ?
B6 B2 B7 Cl8 -113.2(4) . . . . ?
B6 B2 B8 B3 100.8(3) . . . . ?
B6 B2 B8 B7 -37.5(3) . . . . ?
B6 B2 B8 B9 63.6(4) . . . . ?
B6 B2 B8 B12 0.0(4) . . . . ?
B6 B2 B8 Cl9 -147.7(3) . . . . ?
B6 B5 B10 B4 -101.3(3) . . . . ?
B6 B5 B10 B9 -64.1(3) . . . . ?
B6 B5 B10 B11 36.8(3) . . . . ?
B6 B5 B10 B12 -0.7(4) . . . . ?
B6 B5 B10 Cl6 148.4(3) . . . . ?
B6 B5 B11 B7 -37.3(3) . . . . ?
B6 B5 B11 B10 -138.7(3) . . . . ?
B6 B5 B11 B12 -100.8(3) . . . . ?
B6 B5 B11 Cl7 110.5(4) . . . . ?
B6 B7 B8 B2 36.8(3) . . . . ?
B6 B7 B8 B3 -0.6(4) . . . . ?
B6 B7 B8 B9 -64.3(4) . . . . ?
B6 B7 B8 B12 -101.1(3) . . . . ?
B6 B7 B8 Cl9 147.5(3) . . . . ?
B6 B7 B11 B5 37.2(3) . . . . ?
B6 B7 B11 B10 101.2(3) . . . . ?
B6 B7 B11 B12 138.3(3) . . . . ?
B6 B7 B11 Cl7 -111.1(4) . . . . ?
B6 B7 B12 B8 99.9(3) . . . . ?
B6 B7 B12 B9 63.2(4) . . . . ?
B6 B7 B12 B10 -0.5(4) . . . . ?
B6 B7 B12 B11 -37.1(3) . . . . ?
B6 B7 B12 Cl11 -147.9(3) . . . . ?
B6 B11 B12 B7 37.5(3) . . . . ?
B6 B11 B12 B8 -0.8(4) . . . . ?
B6 B11 B12 B9 -63.9(4) . . . . ?
B6 B11 B12 B10 -101.5(3) . . . . ?
B6 B11 B12 Cl11 149.6(3) . . . . ?
B7 B2 B3 B1 102.4(3) . . . . ?
B7 B2 B3 B4 63.4(4) . . . . ?
B7 B2 B3 B8 -37.3(3) . . . . ?
B7 B2 B3 B9 -0.2(4) . . . . ?
B7 B2 B3 Cl1 -146.0(3) . . . . ?
B7 B2 B6 B1 -139.7(3) . . . . ?
B7 B2 B6 B5 -101.4(4) . . . . ?
B7 B2 B6 B11 -37.9(3) . . . . ?
B7 B2 B6 Cl3 109.8(4) . . . . ?
B7 B2 B8 B3 138.3(3) . . . . ?
B7 B2 B8 B9 101.1(3) . . . . ?
B7 B2 B8 B12 37.5(3) . . . . ?
B7 B2 B8 Cl9 -110.3(3) . . . . ?
B7 B6 B11 B5 -138.5(3) . . . . ?
B7 B6 B11 B10 -101.3(3) . . . . ?
B7 B6 B11 B12 -37.3(3) . . . . ?
B7 B6 B11 Cl7 110.0(4) . . . . ?
B7 B8 B9 B3 101.4(3) . . . . ?
B7 B8 B9 B4 64.3(4) . . . . ?
B7 B8 B9 B10 1.0(4) . . . . ?
B7 B8 B9 B12 -36.6(3) . . . . ?
B7 B8 B9 Cl10 -147.8(3) . . . . ?
B7 B8 B12 B9 139.0(3) . . . . ?
B7 B8 B12 B10 101.3(4) . . . . ?
B7 B8 B12 B11 38.3(3) . . . . ?
B7 B8 B12 Cl11 -111.6(4) . . . . ?
B7 B11 B12 B8 -38.2(3) . . . . ?
B7 B11 B12 B9 -101.4(3) . . . . ?
B7 B11 B12 B10 -139.0(3) . . . . ?
B7 B11 B12 Cl11 112.1(4) . . . . ?
B8 B2 B3 B1 139.7(3) . . . . ?
B8 B2 B3 B4 100.7(3) . . . . ?
B8 B2 B3 B9 37.1(3) . . . . ?
B8 B2 B3 Cl1 -108.7(3) . . . . ?
B8 B2 B6 B1 -102.3(3) . . . . ?
B8 B2 B6 B5 -64.1(4) . . . . ?
B8 B2 B6 B7 37.4(3) . . . . ?
B8 B2 B6 B11 -0.5(4) . . . . ?
B8 B2 B6 Cl3 147.2(3) . . . . ?
B8 B2 B7 B6 -138.2(3) . . . . ?
B8 B2 B7 B11 -100.8(3) . . . . ?
B8 B2 B7 B12 -37.7(3) . . . . ?
B8 B2 B7 Cl8 108.6(4) . . . . ?
B8 B3 B4 B1 101.9(3) . . . . ?
B8 B3 B4 B5 63.8(3) . . . . ?
B8 B3 B4 B9 -37.5(3) . . . . ?
B8 B3 B4 B10 0.1(4) . . . . ?
B8 B3 B4 Cl5 -149.5(3) . . . . ?
B8 B3 B9 B4 138.0(3) . . . . ?
B8 B3 B9 B10 100.7(3) . . . . ?
B8 B3 B9 B12 37.5(3) . . . . ?
B8 B3 B9 Cl10 -111.1(3) . . . . ?
B8 B7 B11 B5 -62.6(4) . . . . ?
B8 B7 B11 B6 -99.8(3) . . . . ?
B8 B7 B11 B10 1.4(4) . . . . ?
B8 B7 B11 B12 38.4(3) . . . . ?
B8 B7 B11 Cl7 149.1(3) . . . . ?
B8 B7 B12 B9 -36.7(3) . . . . ?
B8 B7 B12 B10 -100.3(3) . . . . ?
B8 B7 B12 B11 -137.0(3) . . . . ?
B8 B7 B12 Cl11 112.2(3) . . . . ?
B8 B9 B10 B4 100.3(3) . . . . ?
B8 B9 B10 B5 63.3(3) . . . . ?
B8 B9 B10 B11 -0.1(4) . . . . ?
B8 B9 B10 B12 -37.7(3) . . . . ?
B8 B9 B10 Cl6 -148.4(3) . . . . ?
B8 B9 B12 B7 36.7(3) . . . . ?
B8 B9 B12 B10 137.8(3) . . . . ?
B8 B9 B12 B11 100.3(3) . . . . ?
B8 B9 B12 Cl11 -112.8(3) . . . . ?
B9 B3 B4 B1 139.4(3) . . . . ?
B9 B3 B4 B5 101.4(3) . . . . ?
B9 B3 B4 B10 37.6(3) . . . . ?
B9 B3 B4 Cl5 -112.0(3) . . . . ?
B9 B3 B8 B2 -138.5(3) . . . . ?
B9 B3 B8 B7 -100.8(3) . . . . ?
B9 B3 B8 B12 -37.6(3) . . . . ?
B9 B3 B8 Cl9 111.4(3) . . . . ?
B9 B4 B5 B1 102.3(3) . . . . ?
B9 B4 B5 B6 63.0(4) . . . . ?
B9 B4 B5 B10 -37.5(3) . . . . ?
B9 B4 B5 B11 -0.3(4) . . . . ?
B9 B4 B5 Cl4 -148.2(3) . . . . ?
B9 B4 B10 B5 138.2(3) . . . . ?
B9 B4 B10 B11 100.8(3) . . . . ?
B9 B4 B10 B12 37.6(3) . . . . ?
B9 B4 B10 Cl6 -109.5(3) . . . . ?
B9 B8 B12 B7 -139.0(3) . . . . ?
B9 B8 B12 B10 -37.7(3) . . . . ?
B9 B8 B12 B11 -100.7(3) . . . . ?
B9 B8 B12 Cl11 109.4(4) . . . . ?
B9 B10 B11 B5 100.3(3) . . . . ?
B9 B10 B11 B6 63.2(4) . . . . ?
B9 B10 B11 B7 -0.8(4) . . . . ?
B9 B10 B11 B12 -37.6(3) . . . . ?
B9 B10 B11 Cl7 -148.2(3) . . . . ?
B9 B10 B12 B7 101.0(3) . . . . ?
B9 B10 B12 B8 37.6(3) . . . . ?
B9 B10 B12 B11 137.9(3) . . . . ?
B9 B10 B12 Cl11 -110.6(4) . . . . ?
B10 B4 B5 B1 139.8(3) . . . . ?
B10 B4 B5 B6 100.5(3) . . . . ?
B10 B4 B5 B11 37.3(3) . . . . ?
B10 B4 B5 Cl4 -110.7(3) . . . . ?
B10 B4 B9 B3 -138.1(3) . . . . ?
B10 B4 B9 B8 -100.8(3) . . . . ?
B10 B4 B9 B12 -37.4(3) . . . . ?
B10 B4 B9 Cl10 111.3(3) . . . . ?
B10 B5 B6 B1 103.1(3) . . . . ?
B10 B5 B6 B2 64.5(4) . . . . ?
B10 B5 B6 B7 0.5(4) . . . . ?
B10 B5 B6 B11 -36.7(3) . . . . ?
B10 B5 B6 Cl3 -146.7(3) . . . . ?
B10 B5 B11 B6 138.7(3) . . . . ?
B10 B5 B11 B7 101.4(3) . . . . ?
B10 B5 B11 B12 37.9(3) . . . . ?
B10 B5 B11 Cl7 -110.8(4) . . . . ?
B10 B9 B12 B7 -101.0(3) . . . . ?
B10 B9 B12 B8 -137.8(3) . . . . ?
B10 B9 B12 B11 -37.4(3) . . . . ?
B10 B9 B12 Cl11 109.4(3) . . . . ?
B10 B11 B12 B7 139.0(3) . . . . ?
B10 B11 B12 B8 100.7(3) . . . . ?
B10 B11 B12 B9 37.6(3) . . . . ?
B10 B11 B12 Cl11 -108.9(4) . . . . ?
B11 B5 B6 B1 139.8(3) . . . . ?
B11 B5 B6 B2 101.2(4) . . . . ?
B11 B5 B6 B7 37.2(3) . . . . ?
B11 B5 B6 Cl3 -110.0(4) . . . . ?
B11 B5 B10 B4 -138.1(3) . . . . ?
B11 B5 B10 B9 -100.9(3) . . . . ?
B11 B5 B10 B12 -37.5(3) . . . . ?
B11 B5 B10 Cl6 111.6(3) . . . . ?
B11 B6 B7 B2 137.7(3) . . . . ?
B11 B6 B7 B8 100.8(3) . . . . ?
B11 B6 B7 B12 37.2(3) . . . . ?
B11 B6 B7 Cl8 -111.1(4) . . . . ?
B11 B7 B8 B2 99.7(4) . . . . ?
B11 B7 B8 B3 62.2(4) . . . . ?
B11 B7 B8 B9 -1.5(4) . . . . ?
B11 B7 B8 B12 -38.2(3) . . . . ?
B11 B7 B8 Cl9 -149.6(3) . . . . ?
B11 B7 B12 B8 137.0(3) . . . . ?
B11 B7 B12 B9 100.3(3) . . . . ?
B11 B7 B12 B10 36.7(3) . . . . ?
B11 B7 B12 Cl11 -110.8(4) . . . . ?
B11 B10 B12 B7 -36.9(3) . . . . ?
B11 B10 B12 B8 -100.3(4) . . . . ?
B11 B10 B12 B9 -137.9(3) . . . . ?
B11 B10 B12 Cl11 111.6(4) . . . . ?
B12 B7 B8 B2 137.9(3) . . . . ?
B12 B7 B8 B3 100.4(3) . . . . ?
B12 B7 B8 B9 36.8(3) . . . . ?
B12 B7 B8 Cl9 -111.4(3) . . . . ?
B12 B7 B11 B5 -101.0(3) . . . . ?
B12 B7 B11 B6 -138.3(3) . . . . ?
B12 B7 B11 B10 -37.0(3) . . . . ?
B12 B7 B11 Cl7 110.7(4) . . . . ?
B12 B8 B9 B3 138.0(3) . . . . ?
B12 B8 B9 B4 100.9(3) . . . . ?
B12 B8 B9 B10 37.6(3) . . . . ?
B12 B8 B9 Cl10 -111.2(3) . . . . ?
B12 B9 B10 B4 138.0(3) . . . . ?
B12 B9 B10 B5 100.9(3) . . . . ?
B12 B9 B10 B11 37.6(3) . . . . ?
B12 B9 B10 Cl6 -110.7(3) . . . . ?
B12 B10 B11 B5 137.9(3) . . . . ?
B12 B10 B11 B6 100.8(3) . . . . ?
B12 B10 B11 B7 36.8(3) . . . . ?
B12 B10 B11 Cl7 -110.6(4) . . . . ?
C146 C145 O1 B1 -136.1(4) . . . . ?
O1 B1 B2 B3 -113.5(4) . . . . ?
O1 B1 B2 B6 109.6(4) . . . . ?
O1 B1 B2 B7 146.1(4) . . . . ?
O1 B1 B2 B8 -150.0(4) . . . . ?
O1 B1 B2 Cl2 -2.2(5) . . . . ?
O1 B1 B3 B2 115.3(4) . . . . ?
O1 B1 B3 B4 -107.9(4) . . . . ?
O1 B1 B3 B8 151.5(3) . . . . ?
O1 B1 B3 B9 -144.6(3) . . . . ?
O1 B1 B3 Cl1 2.8(5) . . . . ?
O1 B1 B4 B3 115.2(4) . . . . ?
O1 B1 B4 B5 -107.5(4) . . . . ?
O1 B1 B4 B9 152.1(3) . . . . ?
O1 B1 B4 B10 -143.8(3) . . . . ?
O1 B1 B4 Cl5 3.2(5) . . . . ?
O1 B1 B5 B4 110.7(4) . . . . ?
O1 B1 B5 B6 -112.9(4) . . . . ?
O1 B1 B5 B10 147.3(3) . . . . ?
O1 B1 B5 B11 -149.1(3) . . . . ?
O1 B1 B5 Cl4 -1.3(5) . . . . ?
O1 B1 B6 B2 -116.1(4) . . . . ?
O1 B1 B6 B5 106.9(4) . . . . ?
O1 B1 B6 B7 -152.8(3) . . . . ?
O1 B1 B6 B11 143.1(3) . . . . ?
O1 B1 B6 Cl3 -4.4(5) . . . . ?
O1 C145 C146 C147 65.5(8) . . . . ?
Cl1 B3 B4 B1 -112.4(3) . . . . ?
Cl1 B3 B4 B5 -150.5(3) . . . . ?
Cl1 B3 B4 B9 108.2(3) . . . . ?
Cl1 B3 B4 B10 145.8(3) . . . . ?
Cl1 B3 B4 Cl5 -3.8(4) . . . . ?
Cl1 B3 B8 B2 113.0(3) . . . . ?
Cl1 B3 B8 B7 150.7(3) . . . . ?
Cl1 B3 B8 B9 -108.5(3) . . . . ?
Cl1 B3 B8 B12 -146.1(3) . . . . ?
Cl1 B3 B8 Cl9 2.9(5) . . . . ?
Cl1 B3 B9 B4 -111.6(3) . . . . ?
Cl1 B3 B9 B8 110.4(3) . . . . ?
Cl1 B3 B9 B10 -148.9(3) . . . . ?
Cl1 B3 B9 B12 147.9(3) . . . . ?
Cl1 B3 B9 Cl10 -0.7(4) . . . . ?
Cl2 B2 B3 B1 -110.7(4) . . . . ?
Cl2 B2 B3 B4 -149.7(3) . . . . ?
Cl2 B2 B3 B8 109.6(3) . . . . ?
Cl2 B2 B3 B9 146.7(3) . . . . ?
Cl2 B2 B3 Cl1 0.9(5) . . . . ?
Cl2 B2 B6 B1 110.7(4) . . . . ?
Cl2 B2 B6 B5 148.9(3) . . . . ?
Cl2 B2 B6 B7 -109.6(4) . . . . ?
Cl2 B2 B6 B11 -147.5(3) . . . . ?
Cl2 B2 B6 Cl3 0.2(5) . . . . ?
Cl2 B2 B7 B6 111.9(3) . . . . ?
Cl2 B2 B7 B8 -109.9(3) . . . . ?
Cl2 B2 B7 B11 149.3(3) . . . . ?
Cl2 B2 B7 B12 -147.6(3) . . . . ?
Cl2 B2 B7 Cl8 -1.2(5) . . . . ?
Cl2 B2 B8 B3 -111.5(3) . . . . ?
Cl2 B2 B8 B7 110.2(3) . . . . ?
Cl2 B2 B8 B9 -148.8(3) . . . . ?
Cl2 B2 B8 B12 147.6(3) . . . . ?
Cl2 B2 B8 Cl9 -0.1(5) . . . . ?
Cl3 B6 B7 B2 -111.9(3) . . . . ?
Cl3 B6 B7 B8 -148.8(3) . . . . ?
Cl3 B6 B7 B11 110.4(4) . . . . ?
Cl3 B6 B7 B12 147.6(3) . . . . ?
Cl3 B6 B7 Cl8 -0.7(5) . . . . ?
Cl3 B6 B11 B5 111.5(4) . . . . ?
Cl3 B6 B11 B7 -109.9(4) . . . . ?
Cl3 B6 B11 B10 148.7(3) . . . . ?
Cl3 B6 B11 B12 -147.3(3) . . . . ?
Cl3 B6 B11 Cl7 0.1(5) . . . . ?
Cl4 B5 B6 B1 -109.5(3) . . . . ?
Cl4 B5 B6 B2 -148.2(3) . . . . ?
Cl4 B5 B6 B7 147.8(3) . . . . ?
Cl4 B5 B6 B11 110.6(3) . . . . ?
Cl4 B5 B6 Cl3 0.7(5) . . . . ?
Cl4 B5 B10 B4 111.4(3) . . . . ?
Cl4 B5 B10 B9 148.5(3) . . . . ?
Cl4 B5 B10 B11 -110.6(3) . . . . ?
Cl4 B5 B10 B12 -148.1(3) . . . . ?
Cl4 B5 B10 Cl6 1.1(5) . . . . ?
Cl4 B5 B11 B6 -110.8(3) . . . . ?
Cl4 B5 B11 B7 -148.1(3) . . . . ?
Cl4 B5 B11 B10 110.5(3) . . . . ?
Cl4 B5 B11 B12 148.4(3) . . . . ?
Cl4 B5 B11 Cl7 -0.2(5) . . . . ?
Cl5 B4 B5 B1 -108.7(3) . . . . ?
Cl5 B4 B5 B6 -148.0(3) . . . . ?
Cl5 B4 B5 B10 111.5(3) . . . . ?
Cl5 B4 B5 B11 148.8(3) . . . . ?
Cl5 B4 B5 Cl4 0.8(4) . . . . ?
Cl5 B4 B9 B3 111.0(3) . . . . ?
Cl5 B4 B9 B8 148.3(3) . . . . ?
Cl5 B4 B9 B10 -110.9(3) . . . . ?
Cl5 B4 B9 B12 -148.3(3) . . . . ?
Cl5 B4 B9 Cl10 0.4(4) . . . . ?
Cl5 B4 B10 B5 -109.9(3) . . . . ?
Cl5 B4 B10 B9 111.8(3) . . . . ?
Cl5 B4 B10 B11 -147.4(3) . . . . ?
Cl5 B4 B10 B12 149.4(3) . . . . ?
Cl5 B4 B10 Cl6 2.3(4) . . . . ?
Cl6 B10 B11 B5 -112.2(3) . . . . ?
Cl6 B10 B11 B6 -149.3(3) . . . . ?
Cl6 B10 B11 B7 146.7(3) . . . . ?
Cl6 B10 B11 B12 109.9(3) . . . . ?
Cl6 B10 B11 Cl7 -0.7(5) . . . . ?
Cl6 B10 B12 B7 -149.1(3) . . . . ?
Cl6 B10 B12 B8 147.5(3) . . . . ?
Cl6 B10 B12 B9 109.9(3) . . . . ?
Cl6 B10 B12 B11 -112.2(3) . . . . ?
Cl6 B10 B12 Cl11 -0.7(5) . . . . ?
Cl7 B11 B12 B7 -110.0(4) . . . . ?
Cl7 B11 B12 B8 -148.2(3) . . . . ?
Cl7 B11 B12 B9 148.7(3) . . . . ?
Cl7 B11 B12 B10 111.1(4) . . . . ?
Cl7 B11 B12 Cl11 2.2(5) . . . . ?
Cl8 B7 B8 B2 -112.7(4) . . . . ?
Cl8 B7 B8 B3 -150.2(3) . . . . ?
Cl8 B7 B8 B9 146.1(3) . . . . ?
Cl8 B7 B8 B12 109.3(4) . . . . ?
Cl8 B7 B8 Cl9 -2.0(5) . . . . ?
Cl8 B7 B11 B5 150.7(3) . . . . ?
Cl8 B7 B11 B6 113.5(4) . . . . ?
Cl8 B7 B11 B10 -145.3(3) . . . . ?
Cl8 B7 B11 B12 -108.3(4) . . . . ?
Cl8 B7 B11 Cl7 2.4(6) . . . . ?
Cl8 B7 B12 B8 -110.2(3) . . . . ?
Cl8 B7 B12 B9 -146.9(3) . . . . ?
Cl8 B7 B12 B10 149.4(3) . . . . ?
Cl8 B7 B12 B11 112.8(3) . . . . ?
Cl8 B7 B12 Cl11 1.9(5) . . . . ?
Cl9 B8 B9 B3 -111.0(3) . . . . ?
Cl9 B8 B9 B4 -148.1(3) . . . . ?
Cl9 B8 B9 B10 148.6(3) . . . . ?
Cl9 B8 B9 B12 111.0(3) . . . . ?
Cl9 B8 B9 Cl10 -0.2(4) . . . . ?
Cl9 B8 B12 B7 109.6(4) . . . . ?
Cl9 B8 B12 B9 -111.4(3) . . . . ?
Cl9 B8 B12 B10 -149.1(3) . . . . ?
Cl9 B8 B12 B11 147.9(3) . . . . ?
Cl9 B8 B12 Cl11 -2.0(5) . . . . ?
Cl10 B9 B10 B4 -111.0(3) . . . . ?
Cl10 B9 B10 B5 -148.0(3) . . . . ?
Cl10 B9 B10 B11 148.6(3) . . . . ?
Cl10 B9 B10 B12 111.1(3) . . . . ?
Cl10 B9 B10 Cl6 0.3(4) . . . . ?
Cl10 B9 B12 B7 147.8(3) . . . . ?
Cl10 B9 B12 B8 111.0(3) . . . . ?
Cl10 B9 B12 B10 -111.2(3) . . . . ?
Cl10 B9 B12 B11 -148.6(3) . . . . ?
Cl10 B9 B12 Cl11 -1.8(4) . . . . ?
C97 C98 C99 C100 1.2(6) . . . . ?
C98 C97 C102 C101 -0.7(6) . . . . ?
C98 C97 P5 C103 -116.4(3) . . . . ?
C98 C97 P5 C109 120.3(3) . . . . ?
C98 C97 P5 C115 1.3(4) . . . . ?
C98 C99 C100 C101 -1.6(6) . . . . ?
C99 C100 C101 C102 0.8(6) . . . . ?
C100 C101 C102 C97 0.4(6) . . . . ?
C102 C97 C98 C99 0.0(5) . . . . ?
C102 C97 P5 C103 59.5(3) . . . . ?
C102 C97 P5 C109 -63.8(3) . . . . ?
C102 C97 P5 C115 177.3(3) . . . . ?
C103 C104 C105 C106 0.4(7) . . . . ?
C104 C103 C108 C107 -1.6(6) . . . . ?
C104 C103 P5 C97 37.2(3) . . . . ?
C104 C103 P5 C109 157.2(3) . . . . ?
C104 C103 P5 C115 -82.0(3) . . . . ?
C104 C105 C106 C107 -2.3(7) . . . . ?
C105 C106 C107 C108 2.2(6) . . . . ?
C106 C107 C108 C103 -0.3(6) . . . . ?
C108 C103 C104 C105 1.5(6) . . . . ?
C108 C103 P5 C97 -149.4(3) . . . . ?
C108 C103 P5 C109 -29.4(4) . . . . ?
C108 C103 P5 C115 91.4(3) . . . . ?
C109 C110 C111 C112 -2.7(6) . . . . ?
C110 C109 C114 C113 -0.5(6) . . . . ?
C110 C109 P5 C97 177.4(3) . . . . ?
C110 C109 P5 C103 59.3(4) . . . . ?
C110 C109 P5 C115 -61.8(3) . . . . ?
C110 C111 C112 C113 -0.7(7) . . . . ?
C111 C112 C113 C114 3.5(7) . . . . ?
C112 C113 C114 C109 -2.9(7) . . . . ?
C114 C109 C110 C111 3.3(6) . . . . ?
C114 C109 P5 C97 -7.6(4) . . . . ?
C114 C109 P5 C103 -125.7(3) . . . . ?
C114 C109 P5 C115 113.2(3) . . . . ?
C115 C116 C117 C118 -0.1(6) . . . . ?
C116 C115 C120 C119 1.0(6) . . . . ?
C116 C115 P5 C97 -80.4(3) . . . . ?
C116 C115 P5 C103 35.5(4) . . . . ?
C116 C115 P5 C109 159.9(3) . . . . ?
C116 C117 C118 C119 1.9(7) . . . . ?
C117 C118 C119 C120 -2.3(7) . . . . ?
C118 C119 C120 C115 0.8(7) . . . . ?
C120 C115 C116 C117 -1.3(6) . . . . ?
C120 C115 P5 C97 98.5(3) . . . . ?
C120 C115 P5 C103 -145.6(3) . . . . ?
C120 C115 P5 C109 -21.1(4) . . . . ?
P5 C97 C98 C99 175.9(3) . . . . ?
P5 C97 C102 C101 -176.7(3) . . . . ?
P5 C103 C104 C105 175.1(3) . . . . ?
P5 C103 C108 C107 -174.8(3) . . . . ?
P5 C109 C110 C111 178.3(3) . . . . ?
P5 C109 C114 C113 -175.5(3) . . . . ?
P5 C115 C116 C117 177.6(3) . . . . ?
P5 C115 C120 C119 -178.0(3) . . . . ?
C121 C122 C123 C124 -0.1(6) . . . . ?
C122 C121 C126 C125 -1.7(7) . . . . ?
C122 C121 P6 C127 -140.8(3) . . . . ?
C122 C121 P6 C133 100.6(4) . . . . ?
C122 C121 P6 C139 -18.2(4) . . . . ?
C122 C123 C124 C125 -0.3(7) . . . . ?
C123 C124 C125 C126 -0.3(7) . . . . ?
C124 C125 C126 C121 1.3(7) . . . . ?
C126 C121 C122 C123 1.1(6) . . . . ?
C126 C121 P6 C127 42.3(4) . . . . ?
C126 C121 P6 C133 -76.3(4) . . . . ?
C126 C121 P6 C139 164.9(3) . . . . ?
C127 C128 C129 C130 1.0(8) . . . . ?
C128 C127 C132 C131 -1.5(6) . . . . ?
C128 C127 P6 C121 51.3(4) . . . . ?
C128 C127 P6 C133 170.9(4) . . . . ?
C128 C127 P6 C139 -70.7(4) . . . . ?
C128 C129 C130 C131 -0.7(8) . . . . ?
C129 C130 C131 C132 -0.8(7) . . . . ?
C130 C131 C132 C127 1.9(6) . . . . ?
C132 C127 C128 C129 0.1(7) . . . . ?
C132 C127 P6 C121 -128.8(3) . . . . ?
C132 C127 P6 C133 -9.2(4) . . . . ?
C132 C127 P6 C139 109.2(4) . . . . ?
C133 C134 C135 C136 -1.2(6) . . . . ?
C134 C133 C138 C137 1.5(6) . . . . ?
C134 C133 P6 C121 12.2(4) . . . . ?
C134 C133 P6 C127 -106.5(3) . . . . ?
C134 C133 P6 C139 132.8(3) . . . . ?
C134 C135 C136 C137 1.1(7) . . . . ?
C135 C136 C137 C138 0.3(7) . . . . ?
C136 C137 C138 C133 -1.6(6) . . . . ?
C138 C133 C134 C135 -0.1(6) . . . . ?
C138 C133 P6 C121 -169.5(3) . . . . ?
C138 C133 P6 C127 71.8(4) . . . . ?
C138 C133 P6 C139 -49.0(4) . . . . ?
C139 C140 C141 C142 1.2(8) . . . . ?
C140 C139 C144 C143 -1.2(7) . . . . ?
C140 C139 P6 C121 -102.8(4) . . . . ?
C140 C139 P6 C127 18.1(5) . . . . ?
C140 C139 P6 C133 137.0(4) . . . . ?
C140 C141 C142 C143 -2.2(8) . . . . ?
C141 C142 C143 C144 1.4(8) . . . . ?
C142 C143 C144 C139 0.2(8) . . . . ?
C144 C139 C140 C141 0.5(7) . . . . ?
C144 C139 P6 C121 76.0(4) . . . . ?
C144 C139 P6 C127 -163.2(3) . . . . ?
C144 C139 P6 C133 -44.3(4) . . . . ?
P6 C121 C122 C123 -175.8(3) . . . . ?
P6 C121 C126 C125 175.3(3) . . . . ?
P6 C127 C128 C129 -180.0(4) . . . . ?
P6 C127 C132 C131 178.6(3) . . . . ?
P6 C133 C134 C135 178.1(3) . . . . ?
P6 C133 C138 C137 -176.8(3) . . . . ?
P6 C139 C140 C141 179.3(4) . . . . ?
P6 C139 C144 C143 180.0(4) . . . . ?
C25 C26 C27 C28 -1.4(6) . . . . ?
C26 C25 C30 C29 -0.6(5) . . . . ?
C26 C25 P2 C31 141.5(3) . . . . ?
C26 C25 P2 C37 -103.3(3) . . . . ?
C26 C25 P2 C43 16.6(3) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
C27 C28 C29 C30 -0.1(6) . . . . ?
C28 C29 C30 C25 0.0(6) . . . . ?
C30 C25 C26 C27 1.3(5) . . . . ?
C30 C25 P2 C31 -39.6(3) . . . . ?
C30 C25 P2 C37 75.6(3) . . . . ?
C30 C25 P2 C43 -164.6(3) . . . . ?
C31 C32 C33 C34 0.2(5) . . . . ?
C32 C31 C36 C35 -1.3(6) . . . . ?
C32 C31 P2 C25 -88.8(3) . . . . ?
C32 C31 P2 C37 151.8(3) . . . . ?
C32 C31 P2 C43 32.9(3) . . . . ?
C32 C33 C34 C35 -1.5(5) . . . . ?
C33 C34 C35 C36 1.4(6) . . . . ?
C34 C35 C36 C31 0.0(6) . . . . ?
C36 C31 C32 C33 1.2(5) . . . . ?
C36 C31 P2 C25 85.6(3) . . . . ?
C36 C31 P2 C37 -33.7(3) . . . . ?
C36 C31 P2 C43 -152.6(3) . . . . ?
C37 C38 C39 C40 -1.9(6) . . . . ?
C38 C37 C42 C41 -0.8(5) . . . . ?
C38 C37 P2 C25 -178.3(3) . . . . ?
C38 C37 P2 C31 -61.5(3) . . . . ?
C38 C37 P2 C43 61.4(3) . . . . ?
C38 C39 C40 C41 0.3(6) . . . . ?
C39 C40 C41 C42 1.1(6) . . . . ?
C40 C41 C42 C37 -0.9(5) . . . . ?
C42 C37 C38 C39 2.2(5) . . . . ?
C42 C37 P2 C25 -2.1(3) . . . . ?
C42 C37 P2 C31 114.6(3) . . . . ?
C42 C37 P2 C43 -122.5(3) . . . . ?
C43 C44 C45 C46 1.6(6) . . . . ?
C44 C43 C48 C47 1.3(5) . . . . ?
C44 C43 P2 C25 60.5(3) . . . . ?
C44 C43 P2 C31 -60.5(3) . . . . ?
C44 C43 P2 C37 -177.6(3) . . . . ?
C44 C45 C46 C47 0.7(6) . . . . ?
C45 C46 C47 C48 -2.0(6) . . . . ?
C46 C47 C48 C43 1.0(6) . . . . ?
C48 C43 C44 C45 -2.6(5) . . . . ?
C48 C43 P2 C25 -116.0(3) . . . . ?
C48 C43 P2 C31 123.1(3) . . . . ?
C48 C43 P2 C37 5.9(3) . . . . ?
P2 C25 C26 C27 -179.9(3) . . . . ?
P2 C25 C30 C29 -179.5(3) . . . . ?
P2 C31 C32 C33 175.5(3) . . . . ?
P2 C31 C36 C35 -175.9(3) . . . . ?
P2 C37 C38 C39 178.4(3) . . . . ?
P2 C37 C42 C41 -176.9(3) . . . . ?
P2 C43 C44 C45 -179.0(3) . . . . ?
P2 C43 C48 C47 177.8(3) . . . . ?
C49 C50 C51 C52 -0.1(6) . . . . ?
C50 C49 C54 C53 0.8(6) . . . . ?
C50 C49 P3 C55 132.7(3) . . . . ?
C50 C49 P3 C61 -104.5(3) . . . . ?
C50 C49 P3 C67 13.1(4) . . . . ?
C50 C51 C52 C53 0.9(6) . . . . ?
C51 C52 C53 C54 -0.8(6) . . . . ?
C52 C53 C54 C49 -0.1(6) . . . . ?
C54 C49 C50 C51 -0.7(6) . . . . ?
C54 C49 P3 C55 -48.5(3) . . . . ?
C54 C49 P3 C61 74.3(3) . . . . ?
C54 C49 P3 C67 -168.2(3) . . . . ?
C55 C56 C57 C58 -0.1(6) . . . . ?
C56 C55 C60 C59 -0.1(6) . . . . ?
C56 C55 P3 C49 -34.1(3) . . . . ?
C56 C55 P3 C61 -156.3(3) . . . . ?
C56 C55 P3 C67 85.1(3) . . . . ?
C56 C57 C58 C59 -0.2(6) . . . . ?
C57 C58 C59 C60 0.4(6) . . . . ?
C58 C59 C60 C55 -0.2(6) . . . . ?
C60 C55 C56 C57 0.3(6) . . . . ?
C60 C55 P3 C49 151.2(3) . . . . ?
C60 C55 P3 C61 29.0(4) . . . . ?
C60 C55 P3 C67 -89.6(3) . . . . ?
C61 C62 C63 C64 -0.1(6) . . . . ?
C62 C61 C66 C65 -1.6(6) . . . . ?
C62 C61 P3 C49 156.2(3) . . . . ?
C62 C61 P3 C55 -81.8(3) . . . . ?
C62 C61 P3 C67 37.9(4) . . . . ?
C62 C63 C64 C65 -1.4(6) . . . . ?
C63 C64 C65 C66 1.3(6) . . . . ?
C64 C65 C66 C61 0.2(6) . . . . ?
C66 C61 C62 C63 1.5(6) . . . . ?
C66 C61 P3 C49 -23.9(4) . . . . ?
C66 C61 P3 C55 98.1(3) . . . . ?
C66 C61 P3 C67 -142.1(3) . . . . ?
C67 C68 C69 C70 1.0(6) . . . . ?
C68 C67 C72 C71 0.0(5) . . . . ?
C68 C67 P3 C49 -69.4(3) . . . . ?
C68 C67 P3 C55 170.7(3) . . . . ?
C68 C67 P3 C61 49.9(3) . . . . ?
C68 C69 C70 C71 0.1(6) . . . . ?
C69 C70 C71 C72 -1.2(6) . . . . ?
C70 C71 C72 C67 1.1(6) . . . . ?
C72 C67 C68 C69 -1.0(5) . . . . ?
C72 C67 P3 C49 108.1(3) . . . . ?
C72 C67 P3 C55 -11.8(3) . . . . ?
C72 C67 P3 C61 -132.7(3) . . . . ?
P3 C49 C50 C51 178.1(3) . . . . ?
P3 C49 C54 C53 -178.0(3) . . . . ?
P3 C55 C56 C57 -174.5(3) . . . . ?
P3 C55 C60 C59 174.5(3) . . . . ?
P3 C61 C62 C63 -178.5(3) . . . . ?
P3 C61 C66 C65 178.5(3) . . . . ?
P3 C67 C68 C69 176.5(3) . . . . ?
P3 C67 C72 C71 -177.5(3) . . . . ?
C1 C2 C3 C4 -1.2(6) . . . . ?
C2 C1 C6 C5 0.3(6) . . . . ?
C2 C1 P1 C7 -170.6(3) . . . . ?
C2 C1 P1 C13 -49.7(4) . . . . ?
C2 C1 P1 C19 70.7(3) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C4 C5 C6 C1 -0.5(6) . . . . ?
C6 C1 C2 C3 0.5(6) . . . . ?
C6 C1 P1 C7 11.4(4) . . . . ?
C6 C1 P1 C13 132.3(3) . . . . ?
C6 C1 P1 C19 -107.3(3) . . . . ?
C7 C8 C9 C10 0.1(7) . . . . ?
C8 C7 C12 C11 0.7(6) . . . . ?
C8 C7 P1 C1 -73.0(4) . . . . ?
C8 C7 P1 C13 168.2(3) . . . . ?
C8 C7 P1 C19 47.0(4) . . . . ?
C8 C9 C10 C11 0.2(7) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C10 C11 C12 C7 -0.4(6) . . . . ?
C12 C7 C8 C9 -0.6(6) . . . . ?
C12 C7 P1 C1 103.2(3) . . . . ?
C12 C7 P1 C13 -15.5(4) . . . . ?
C12 C7 P1 C19 -136.7(3) . . . . ?
C13 C14 C15 C16 -1.1(7) . . . . ?
C14 C13 C18 C17 2.5(6) . . . . ?
C14 C13 P1 C1 126.4(3) . . . . ?
C14 C13 P1 C7 -113.3(3) . . . . ?
C14 C13 P1 C19 6.3(4) . . . . ?
C14 C15 C16 C17 1.4(7) . . . . ?
C15 C16 C17 C18 0.3(7) . . . . ?
C16 C17 C18 C13 -2.3(7) . . . . ?
C18 C13 C14 C15 -0.9(6) . . . . ?
C18 C13 P1 C1 -52.9(4) . . . . ?
C18 C13 P1 C7 67.4(3) . . . . ?
C18 C13 P1 C19 -173.0(3) . . . . ?
C19 C20 C21 C22 0.2(6) . . . . ?
C20 C19 C24 C23 -0.7(6) . . . . ?
C20 C19 P1 C1 -4.6(4) . . . . ?
C20 C19 P1 C7 -124.6(3) . . . . ?
C20 C19 P1 C13 113.9(3) . . . . ?
C20 C21 C22 C23 -0.5(7) . . . . ?
C21 C22 C23 C24 0.2(7) . . . . ?
C22 C23 C24 C19 0.3(7) . . . . ?
C24 C19 C20 C21 0.4(6) . . . . ?
C24 C19 P1 C1 173.1(3) . . . . ?
C24 C19 P1 C7 53.0(4) . . . . ?
C24 C19 P1 C13 -68.4(4) . . . . ?
P1 C1 C2 C3 -177.5(3) . . . . ?
P1 C1 C6 C5 178.3(3) . . . . ?
P1 C7 C8 C9 175.7(3) . . . . ?
P1 C7 C12 C11 -175.6(3) . . . . ?
P1 C13 C14 C15 179.8(3) . . . . ?
P1 C13 C18 C17 -178.1(3) . . . . ?
P1 C19 C20 C21 178.0(3) . . . . ?
P1 C19 C24 C23 -178.3(3) . . . . ?
C73 C74 C75 C76 -0.4(6) . . . . ?
C74 C73 C78 C77 -0.6(5) . . . . ?
C74 C73 P4 C79 -92.2(3) . . . . ?
C74 C73 P4 C85 147.0(3) . . . . ?
C74 C73 P4 C91 26.7(3) . . . . ?
C74 C75 C76 C77 -0.5(6) . . . . ?
C75 C76 C77 C78 0.8(6) . . . . ?
C76 C77 C78 C73 -0.2(6) . . . . ?
C78 C73 C74 C75 1.0(6) . . . . ?
C78 C73 P4 C79 80.6(3) . . . . ?
C78 C73 P4 C85 -40.2(4) . . . . ?
C78 C73 P4 C91 -160.5(3) . . . . ?
C79 C80 C81 C82 -0.4(6) . . . . ?
C80 C79 C84 C83 1.1(6) . . . . ?
C80 C79 P4 C73 21.4(4) . . . . ?
C80 C79 P4 C85 145.4(3) . . . . ?
C80 C79 P4 C91 -95.8(3) . . . . ?
C80 C81 C82 C83 1.2(7) . . . . ?
C81 C82 C83 C84 -0.8(7) . . . . ?
C82 C83 C84 C79 -0.3(7) . . . . ?
C84 C79 C80 C81 -0.7(6) . . . . ?
C84 C79 P4 C73 -162.1(3) . . . . ?
C84 C79 P4 C85 -38.0(4) . . . . ?
C84 C79 P4 C91 80.8(3) . . . . ?
C85 C86 C87 C88 -1.4(6) . . . . ?
C86 C85 C90 C89 3.7(6) . . . . ?
C86 C85 P4 C73 -119.8(3) . . . . ?
C86 C85 P4 C79 119.4(3) . . . . ?
C86 C85 P4 C91 -0.2(4) . . . . ?
C86 C87 C88 C89 2.0(7) . . . . ?
C87 C88 C89 C90 0.3(7) . . . . ?
C88 C89 C90 C85 -3.1(7) . . . . ?
C90 C85 C86 C87 -1.5(6) . . . . ?
C90 C85 P4 C73 63.9(4) . . . . ?
C90 C85 P4 C79 -56.9(4) . . . . ?
C90 C85 P4 C91 -176.5(3) . . . . ?
C91 C92 C93 C94 0.4(6) . . . . ?
C92 C91 C96 C95 -0.4(5) . . . . ?
C92 C91 P4 C73 58.7(3) . . . . ?
C92 C91 P4 C79 176.5(3) . . . . ?
C92 C91 P4 C85 -64.9(3) . . . . ?
C92 C93 C94 C95 0.4(6) . . . . ?
C93 C94 C95 C96 -1.2(6) . . . . ?
C94 C95 C96 C91 1.2(6) . . . . ?
C96 C91 C92 C93 -0.4(6) . . . . ?
C96 C91 P4 C73 -120.9(3) . . . . ?
C96 C91 P4 C79 -3.1(4) . . . . ?
C96 C91 P4 C85 115.6(3) . . . . ?
P4 C73 C74 C75 173.9(3) . . . . ?
P4 C73 C78 C77 -173.4(3) . . . . ?
P4 C79 C80 C81 175.8(3) . . . . ?
P4 C79 C84 C83 -175.5(4) . . . . ?
P4 C85 C86 C87 -177.8(3) . . . . ?
P4 C85 C90 C89 180.0(3) . . . . ?
P4 C91 C92 C93 -180.0(3) . . . . ?
P4 C91 C96 C95 179.2(3) . . . . ?
B13 B14 B15 B16 38.5(3) . . . . ?
B13 B14 B15 B20 138.9(3) . . . . ?
B13 B14 B15 B21 102.1(3) . . . . ?
B13 B14 B15 Cl12 -112.9(3) . . . . ?
B13 B14 B18 B17 -38.6(3) . . . . ?
B13 B14 B18 B19 -139.7(3) . . . . ?
B13 B14 B18 B23 -102.1(3) . . . . ?
B13 B14 B18 Cl17 110.3(3) . . . . ?
B13 B14 B19 B18 36.5(3) . . . . ?
B13 B14 B19 B20 -101.6(3) . . . . ?
B13 B14 B19 B23 -0.8(4) . . . . ?
B13 B14 B19 B24 -63.9(3) . . . . ?
B13 B14 B19 Cl21 148.4(3) . . . . ?
B13 B14 B20 B15 -37.3(3) . . . . ?
B13 B14 B20 B19 101.1(3) . . . . ?
B13 B14 B20 B21 -0.2(4) . . . . ?
B13 B14 B20 B24 63.2(3) . . . . ?
B13 B14 B20 Cl15 -147.2(3) . . . . ?
B13 B15 B16 B17 38.6(3) . . . . ?
B13 B15 B16 B21 139.1(3) . . . . ?
B13 B15 B16 B22 101.9(3) . . . . ?
B13 B15 B16 Cl13 -110.4(3) . . . . ?
B13 B15 B20 B14 37.1(2) . . . . ?
B13 B15 B20 B19 -0.3(4) . . . . ?
B13 B15 B20 B21 -101.6(3) . . . . ?
B13 B15 B20 B24 -64.1(3) . . . . ?
B13 B15 B20 Cl15 147.4(3) . . . . ?
B13 B15 B21 B16 -37.0(2) . . . . ?
B13 B15 B21 B20 101.0(3) . . . . ?
B13 B15 B21 B22 0.1(4) . . . . ?
B13 B15 B21 B24 63.5(3) . . . . ?
B13 B15 B21 Cl14 -148.8(3) . . . . ?
B13 B16 B17 B18 38.7(3) . . . . ?
B13 B16 B17 B22 139.7(3) . . . . ?
B13 B16 B17 B23 102.4(3) . . . . ?
B13 B16 B17 Cl18 -110.2(3) . . . . ?
B13 B16 B21 B15 37.0(3) . . . . ?
B13 B16 B21 B20 -0.4(4) . . . . ?
B13 B16 B21 B22 -101.3(3) . . . . ?
B13 B16 B21 B24 -63.6(3) . . . . ?
B13 B16 B21 Cl14 147.2(3) . . . . ?
B13 B16 B22 B17 -36.4(3) . . . . ?
B13 B16 B22 B21 101.5(3) . . . . ?
B13 B16 B22 B23 0.8(4) . . . . ?
B13 B16 B22 B24 63.9(3) . . . . ?
B13 B16 B22 Cl19 -145.9(3) . . . . ?
B13 B17 B18 B14 38.6(3) . . . . ?
B13 B17 B18 B19 102.1(3) . . . . ?
B13 B17 B18 B23 140.0(3) . . . . ?
B13 B17 B18 Cl17 -110.7(3) . . . . ?
B13 B17 B22 B16 36.9(3) . . . . ?
B13 B17 B22 B21 -0.9(4) . . . . ?
B13 B17 B22 B23 -101.6(3) . . . . ?
B13 B17 B22 B24 -64.0(3) . . . . ?
B13 B17 B22 Cl19 147.3(3) . . . . ?
B13 B17 B23 B18 -36.4(3) . . . . ?
B13 B17 B23 B19 1.2(4) . . . . ?
B13 B17 B23 B22 102.2(3) . . . . ?
B13 B17 B23 B24 64.4(3) . . . . ?
B13 B17 B23 Cl20 -147.1(3) . . . . ?
B13 B18 B19 B14 -36.5(3) . . . . ?
B13 B18 B19 B20 1.1(4) . . . . ?
B13 B18 B19 B23 101.7(3) . . . . ?
B13 B18 B19 B24 64.5(3) . . . . ?
B13 B18 B19 Cl21 -147.9(3) . . . . ?
B13 B18 B23 B17 36.2(3) . . . . ?
B13 B18 B23 B19 -101.5(3) . . . . ?
B13 B18 B23 B22 -0.7(4) . . . . ?
B13 B18 B23 B24 -64.1(4) . . . . ?
B13 B18 B23 Cl20 149.7(3) . . . . ?
B14 B13 B15 B16 -137.2(3) . . . . ?
B14 B13 B15 B20 -36.9(3) . . . . ?
B14 B13 B15 B21 -100.3(3) . . . . ?
B14 B13 B15 Cl12 112.1(3) . . . . ?
B14 B13 B16 B15 37.3(2) . . . . ?
B14 B13 B16 B17 -99.5(3) . . . . ?
B14 B13 B16 B21 0.3(3) . . . . ?
B14 B13 B16 B22 -63.2(3) . . . . ?
B14 B13 B16 Cl13 147.4(3) . . . . ?
B14 B13 B17 B16 99.2(3) . . . . ?
B14 B13 B17 B18 -37.9(2) . . . . ?
B14 B13 B17 B22 62.5(3) . . . . ?
B14 B13 B17 B23 -1.7(3) . . . . ?
B14 B13 B17 Cl18 -149.1(3) . . . . ?
B14 B13 B18 B17 136.7(3) . . . . ?
B14 B13 B18 B19 36.4(3) . . . . ?
B14 B13 B18 B23 100.5(3) . . . . ?
B14 B13 B18 Cl17 -112.3(3) . . . . ?
B14 B13 O2 C148 -76.6(5) . . . . ?
B14 B15 B16 B13 -38.4(3) . . . . ?
B14 B15 B16 B17 0.2(4) . . . . ?
B14 B15 B16 B21 100.7(3) . . . . ?
B14 B15 B16 B22 63.5(3) . . . . ?
B14 B15 B16 Cl13 -148.8(3) . . . . ?
B14 B15 B20 B19 -37.5(3) . . . . ?
B14 B15 B20 B21 -138.7(3) . . . . ?
B14 B15 B20 B24 -101.2(3) . . . . ?
B14 B15 B20 Cl15 110.3(3) . . . . ?
B14 B15 B21 B16 -101.1(3) . . . . ?
B14 B15 B21 B20 36.9(3) . . . . ?
B14 B15 B21 B22 -63.9(3) . . . . ?
B14 B15 B21 B24 -0.5(4) . . . . ?
B14 B15 B21 Cl14 147.1(3) . . . . ?
B14 B18 B19 B20 37.5(3) . . . . ?
B14 B18 B19 B23 138.2(3) . . . . ?
B14 B18 B19 B24 101.0(3) . . . . ?
B14 B18 B19 Cl21 -111.5(3) . . . . ?
B14 B18 B23 B17 100.2(3) . . . . ?
B14 B18 B23 B19 -37.5(3) . . . . ?
B14 B18 B23 B22 63.3(4) . . . . ?
B14 B18 B23 B24 -0.1(4) . . . . ?
B14 B18 B23 Cl20 -146.3(3) . . . . ?
B14 B19 B20 B15 37.1(3) . . . . ?
B14 B19 B20 B21 101.0(3) . . . . ?
B14 B19 B20 B24 137.9(3) . . . . ?
B14 B19 B20 Cl15 -110.2(3) . . . . ?
B14 B19 B23 B17 -0.2(4) . . . . ?
B14 B19 B23 B18 37.4(3) . . . . ?
B14 B19 B23 B22 -63.3(3) . . . . ?
B14 B19 B23 B24 -100.7(3) . . . . ?
B14 B19 B23 Cl20 149.6(3) . . . . ?
B14 B19 B24 B20 -37.7(3) . . . . ?
B14 B19 B24 B21 -0.6(4) . . . . ?
B14 B19 B24 B22 63.1(3) . . . . ?
B14 B19 B24 B23 100.7(3) . . . . ?
B14 B19 B24 Cl22 -148.8(3) . . . . ?
B14 B20 B21 B15 -36.8(3) . . . . ?
B14 B20 B21 B16 0.4(4) . . . . ?
B14 B20 B21 B22 63.6(3) . . . . ?
B14 B20 B21 B24 101.2(3) . . . . ?
B14 B20 B21 Cl14 -147.8(3) . . . . ?
B14 B20 B24 B19 38.0(3) . . . . ?
B14 B20 B24 B21 -100.9(3) . . . . ?
B14 B20 B24 B22 -63.2(3) . . . . ?
B14 B20 B24 B23 0.6(4) . . . . ?
B14 B20 B24 Cl22 145.5(3) . . . . ?
B15 B13 B14 B18 136.7(3) . . . . ?
B15 B13 B14 B19 100.5(3) . . . . ?
B15 B13 B14 B20 37.2(3) . . . . ?
B15 B13 B14 Cl16 -110.4(3) . . . . ?
B15 B13 B16 B17 -136.8(3) . . . . ?
B15 B13 B16 B21 -37.0(3) . . . . ?
B15 B13 B16 B22 -100.5(3) . . . . ?
B15 B13 B16 Cl13 110.2(3) . . . . ?
B15 B13 B17 B16 37.6(2) . . . . ?
B15 B13 B17 B18 -99.5(3) . . . . ?
B15 B13 B17 B22 0.9(4) . . . . ?
B15 B13 B17 B23 -63.3(3) . . . . ?
B15 B13 B17 Cl18 149.4(3) . . . . ?
B15 B13 B18 B14 -37.7(2) . . . . ?
B15 B13 B18 B17 99.0(3) . . . . ?
B15 B13 B18 B19 -1.3(3) . . . . ?
B15 B13 B18 B23 62.8(3) . . . . ?
B15 B13 B18 Cl17 -150.0(3) . . . . ?
B15 B13 O2 C148 0.1(6) . . . . ?
B15 B14 B18 B13 38.9(3) . . . . ?
B15 B14 B18 B17 0.3(4) . . . . ?
B15 B14 B18 B19 -100.7(3) . . . . ?
B15 B14 B18 B23 -63.2(3) . . . . ?
B15 B14 B18 Cl17 149.3(3) . . . . ?
B15 B14 B19 B18 100.7(3) . . . . ?
B15 B14 B19 B20 -37.3(3) . . . . ?
B15 B14 B19 B23 63.4(3) . . . . ?
B15 B14 B19 B24 0.3(4) . . . . ?
B15 B14 B19 Cl21 -147.4(3) . . . . ?
B15 B14 B20 B19 138.4(3) . . . . ?
B15 B14 B20 B21 37.1(3) . . . . ?
B15 B14 B20 B24 100.6(3) . . . . ?
B15 B14 B20 Cl15 -109.9(3) . . . . ?
B15 B16 B17 B13 -38.7(3) . . . . ?
B15 B16 B17 B18 0.0(4) . . . . ?
B15 B16 B17 B22 101.0(3) . . . . ?
B15 B16 B17 B23 63.7(3) . . . . ?
B15 B16 B17 Cl18 -148.9(3) . . . . ?
B15 B16 B21 B20 -37.4(3) . . . . ?
B15 B16 B21 B22 -138.3(3) . . . . ?
B15 B16 B21 B24 -100.6(3) . . . . ?
B15 B16 B21 Cl14 110.3(3) . . . . ?
B15 B16 B22 B17 -100.4(3) . . . . ?
B15 B16 B22 B21 37.5(2) . . . . ?
B15 B16 B22 B23 -63.3(3) . . . . ?
B15 B16 B22 B24 -0.1(3) . . . . ?
B15 B16 B22 Cl19 150.1(3) . . . . ?
B15 B20 B21 B16 37.2(3) . . . . ?
B15 B20 B21 B22 100.5(3) . . . . ?
B15 B20 B21 B24 138.0(3) . . . . ?
B15 B20 B21 Cl14 -111.0(3) . . . . ?
B15 B20 B24 B19 101.1(3) . . . . ?
B15 B20 B24 B21 -37.7(3) . . . . ?
B15 B20 B24 B22 0.0(4) . . . . ?
B15 B20 B24 B23 63.7(3) . . . . ?
B15 B20 B24 Cl22 -151.4(3) . . . . ?
B15 B21 B22 B16 -37.0(2) . . . . ?
B15 B21 B22 B17 0.4(4) . . . . ?
B15 B21 B22 B23 63.9(3) . . . . ?
B15 B21 B22 B24 100.8(3) . . . . ?
B15 B21 B22 Cl19 -146.8(3) . . . . ?
B15 B21 B24 B19 0.7(4) . . . . ?
B15 B21 B24 B20 37.5(3) . . . . ?
B15 B21 B24 B22 -100.5(3) . . . . ?
B15 B21 B24 B23 -63.3(3) . . . . ?
B15 B21 B24 Cl22 147.0(3) . . . . ?
B16 B13 B14 B15 -37.3(2) . . . . ?
B16 B13 B14 B18 99.4(3) . . . . ?
B16 B13 B14 B19 63.2(3) . . . . ?
B16 B13 B14 B20 -0.1(3) . . . . ?
B16 B13 B14 Cl16 -147.7(3) . . . . ?
B16 B13 B15 B14 137.2(3) . . . . ?
B16 B13 B15 B20 100.3(3) . . . . ?
B16 B13 B15 B21 36.9(3) . . . . ?
B16 B13 B15 Cl12 -110.6(3) . . . . ?
B16 B13 B17 B18 -137.1(3) . . . . ?
B16 B13 B17 B22 -36.7(3) . . . . ?
B16 B13 B17 B23 -100.9(3) . . . . ?
B16 B13 B17 Cl18 111.7(3) . . . . ?
B16 B13 B18 B14 -99.4(3) . . . . ?
B16 B13 B18 B17 37.3(2) . . . . ?
B16 B13 B18 B19 -63.0(3) . . . . ?
B16 B13 B18 B23 1.1(4) . . . . ?
B16 B13 B18 Cl17 148.3(3) . . . . ?
B16 B13 O2 C148 76.5(5) . . . . ?
B16 B15 B20 B14 101.2(3) . . . . ?
B16 B15 B20 B19 63.7(3) . . . . ?
B16 B15 B20 B21 -37.5(3) . . . . ?
B16 B15 B20 B24 -0.1(3) . . . . ?
B16 B15 B20 Cl15 -148.5(3) . . . . ?
B16 B15 B21 B20 138.0(3) . . . . ?
B16 B15 B21 B22 37.2(3) . . . . ?
B16 B15 B21 B24 100.6(3) . . . . ?
B16 B15 B21 Cl14 -111.8(3) . . . . ?
B16 B17 B18 B13 -38.8(3) . . . . ?
B16 B17 B18 B14 -0.2(4) . . . . ?
B16 B17 B18 B19 63.3(3) . . . . ?
B16 B17 B18 B23 101.2(3) . . . . ?
B16 B17 B18 Cl17 -149.6(3) . . . . ?
B16 B17 B22 B21 -37.7(3) . . . . ?
B16 B17 B22 B23 -138.5(3) . . . . ?
B16 B17 B22 B24 -100.8(3) . . . . ?
B16 B17 B22 Cl19 110.4(3) . . . . ?
B16 B17 B23 B18 -101.2(3) . . . . ?
B16 B17 B23 B19 -63.5(3) . . . . ?
B16 B17 B23 B22 37.4(3) . . . . ?
B16 B17 B23 B24 -0.3(4) . . . . ?
B16 B17 B23 Cl20 148.1(3) . . . . ?
B16 B21 B22 B17 37.5(3) . . . . ?
B16 B21 B22 B23 101.0(3) . . . . ?
B16 B21 B22 B24 137.8(3) . . . . ?
B16 B21 B22 Cl19 -109.8(3) . . . . ?
B16 B21 B24 B19 63.6(3) . . . . ?
B16 B21 B24 B20 100.3(3) . . . . ?
B16 B21 B24 B22 -37.6(3) . . . . ?
B16 B21 B24 B23 -0.4(4) . . . . ?
B16 B21 B24 Cl22 -150.1(3) . . . . ?
B16 B22 B23 B17 -37.0(3) . . . . ?
B16 B22 B23 B18 -0.1(4) . . . . ?
B16 B22 B23 B19 63.3(4) . . . . ?
B16 B22 B23 B24 100.6(3) . . . . ?
B16 B22 B23 Cl20 -150.4(3) . . . . ?
B16 B22 B24 B19 -63.1(3) . . . . ?
B16 B22 B24 B20 0.1(4) . . . . ?
B16 B22 B24 B21 37.8(3) . . . . ?
B16 B22 B24 B23 -100.8(3) . . . . ?
B16 B22 B24 Cl22 150.6(3) . . . . ?
B17 B13 B14 B15 -98.9(3) . . . . ?
B17 B13 B14 B18 37.8(2) . . . . ?
B17 B13 B14 B19 1.6(3) . . . . ?
B17 B13 B14 B20 -61.7(3) . . . . ?
B17 B13 B14 Cl16 150.7(3) . . . . ?
B17 B13 B15 B14 99.7(3) . . . . ?
B17 B13 B15 B16 -37.5(2) . . . . ?
B17 B13 B15 B20 62.8(3) . . . . ?
B17 B13 B15 B21 -0.7(3) . . . . ?
B17 B13 B15 Cl12 -148.2(3) . . . . ?
B17 B13 B16 B15 136.8(3) . . . . ?
B17 B13 B16 B21 99.8(3) . . . . ?
B17 B13 B16 B22 36.3(3) . . . . ?
B17 B13 B16 Cl13 -113.0(3) . . . . ?
B17 B13 B18 B14 -136.7(3) . . . . ?
B17 B13 B18 B19 -100.3(3) . . . . ?
B17 B13 B18 B23 -36.2(3) . . . . ?
B17 B13 B18 Cl17 111.0(3) . . . . ?
B17 B13 O2 C148 145.7(3) . . . . ?
B17 B16 B21 B15 100.8(3) . . . . ?
B17 B16 B21 B20 63.4(3) . . . . ?
B17 B16 B21 B22 -37.5(3) . . . . ?
B17 B16 B21 B24 0.2(4) . . . . ?
B17 B16 B21 Cl14 -149.0(3) . . . . ?
B17 B16 B22 B21 137.9(3) . . . . ?
B17 B16 B22 B23 37.2(3) . . . . ?
B17 B16 B22 B24 100.3(3) . . . . ?
B17 B16 B22 Cl19 -109.5(3) . . . . ?
B17 B18 B19 B14 -100.3(3) . . . . ?
B17 B18 B19 B20 -62.8(3) . . . . ?
B17 B18 B19 B23 37.9(3) . . . . ?
B17 B18 B19 B24 0.7(4) . . . . ?
B17 B18 B19 Cl21 148.2(3) . . . . ?
B17 B18 B23 B19 -137.7(3) . . . . ?
B17 B18 B23 B22 -36.9(3) . . . . ?
B17 B18 B23 B24 -100.3(3) . . . . ?
B17 B18 B23 Cl20 113.5(4) . . . . ?
B17 B22 B23 B18 36.9(3) . . . . ?
B17 B22 B23 B19 100.2(3) . . . . ?
B17 B22 B23 B24 137.6(3) . . . . ?
B17 B22 B23 Cl20 -113.5(4) . . . . ?
B17 B22 B24 B19 -0.1(4) . . . . ?
B17 B22 B24 B20 63.1(3) . . . . ?
B17 B22 B24 B21 100.8(3) . . . . ?
B17 B22 B24 B23 -37.8(3) . . . . ?
B17 B22 B24 Cl22 -146.4(3) . . . . ?
B17 B23 B24 B19 -100.5(3) . . . . ?
B17 B23 B24 B20 -63.4(3) . . . . ?
B17 B23 B24 B21 0.5(4) . . . . ?
B17 B23 B24 B22 37.6(3) . . . . ?
B17 B23 B24 Cl22 151.4(3) . . . . ?
B18 B13 B14 B15 -136.7(3) . . . . ?
B18 B13 B14 B19 -36.2(3) . . . . ?
B18 B13 B14 B20 -99.5(3) . . . . ?
B18 B13 B14 Cl16 112.9(3) . . . . ?
B18 B13 B15 B14 37.9(2) . . . . ?
B18 B13 B15 B16 -99.3(3) . . . . ?
B18 B13 B15 B20 1.0(3) . . . . ?
B18 B13 B15 B21 -62.4(3) . . . . ?
B18 B13 B15 Cl12 150.0(3) . . . . ?
B18 B13 B16 B15 99.3(3) . . . . ?
B18 B13 B16 B17 -37.4(3) . . . . ?
B18 B13 B16 B21 62.4(3) . . . . ?
B18 B13 B16 B22 -1.2(4) . . . . ?
B18 B13 B16 Cl13 -150.5(3) . . . . ?
B18 B13 B17 B16 137.1(3) . . . . ?
B18 B13 B17 B22 100.4(3) . . . . ?
B18 B13 B17 B23 36.2(3) . . . . ?
B18 B13 B17 Cl18 -111.1(3) . . . . ?
B18 B13 O2 C148 -146.9(3) . . . . ?
B18 B14 B15 B13 -38.8(3) . . . . ?
B18 B14 B15 B16 -0.3(4) . . . . ?
B18 B14 B15 B20 100.1(3) . . . . ?
B18 B14 B15 B21 63.3(3) . . . . ?
B18 B14 B15 Cl12 -151.7(3) . . . . ?
B18 B14 B19 B20 -138.1(3) . . . . ?
B18 B14 B19 B23 -37.3(3) . . . . ?
B18 B14 B19 B24 -100.4(3) . . . . ?
B18 B14 B19 Cl21 111.9(3) . . . . ?
B18 B14 B20 B15 -101.2(3) . . . . ?
B18 B14 B20 B19 37.2(3) . . . . ?
B18 B14 B20 B21 -64.1(3) . . . . ?
B18 B14 B20 B24 -0.7(4) . . . . ?
B18 B14 B20 Cl15 148.9(3) . . . . ?
B18 B17 B22 B16 101.4(3) . . . . ?
B18 B17 B22 B21 63.6(3) . . . . ?
B18 B17 B22 B23 -37.1(3) . . . . ?
B18 B17 B22 B24 0.5(4) . . . . ?
B18 B17 B22 Cl19 -148.2(3) . . . . ?
B18 B17 B23 B19 37.7(3) . . . . ?
B18 B17 B23 B22 138.6(3) . . . . ?
B18 B17 B23 B24 100.8(3) . . . . ?
B18 B17 B23 Cl20 -110.7(3) . . . . ?
B18 B19 B20 B14 -37.5(3) . . . . ?
B18 B19 B20 B15 -0.5(4) . . . . ?
B18 B19 B20 B21 63.5(3) . . . . ?
B18 B19 B20 B24 100.4(3) . . . . ?
B18 B19 B20 Cl15 -147.8(3) . . . . ?
B18 B19 B23 B17 -37.6(3) . . . . ?
B18 B19 B23 B22 -100.7(3) . . . . ?
B18 B19 B23 B24 -138.1(3) . . . . ?
B18 B19 B23 Cl20 112.2(3) . . . . ?
B18 B19 B24 B20 -101.1(3) . . . . ?
B18 B19 B24 B21 -64.1(3) . . . . ?
B18 B19 B24 B22 -0.3(4) . . . . ?
B18 B19 B24 B23 37.3(3) . . . . ?
B18 B19 B24 Cl22 147.8(3) . . . . ?
B18 B23 B24 B19 -37.4(3) . . . . ?
B18 B23 B24 B20 -0.3(4) . . . . ?
B18 B23 B24 B21 63.6(3) . . . . ?
B18 B23 B24 B22 100.8(3) . . . . ?
B18 B23 B24 Cl22 -145.5(3) . . . . ?
B19 B14 B15 B13 -102.0(3) . . . . ?
B19 B14 B15 B16 -63.5(3) . . . . ?
B19 B14 B15 B20 36.9(3) . . . . ?
B19 B14 B15 B21 0.1(4) . . . . ?
B19 B14 B15 Cl12 145.1(3) . . . . ?
B19 B14 B18 B13 139.7(3) . . . . ?
B19 B14 B18 B17 101.1(3) . . . . ?
B19 B14 B18 B23 37.5(3) . . . . ?
B19 B14 B18 Cl17 -110.0(3) . . . . ?
B19 B14 B20 B15 -138.4(3) . . . . ?
B19 B14 B20 B21 -101.3(3) . . . . ?
B19 B14 B20 B24 -37.9(3) . . . . ?
B19 B14 B20 Cl15 111.7(3) . . . . ?
B19 B18 B23 B17 137.7(3) . . . . ?
B19 B18 B23 B22 100.8(3) . . . . ?
B19 B18 B23 B24 37.4(3) . . . . ?
B19 B18 B23 Cl20 -108.8(3) . . . . ?
B19 B20 B21 B15 -101.0(3) . . . . ?
B19 B20 B21 B16 -63.7(3) . . . . ?
B19 B20 B21 B22 -0.5(4) . . . . ?
B19 B20 B21 B24 37.0(3) . . . . ?
B19 B20 B21 Cl14 148.0(3) . . . . ?
B19 B20 B24 B21 -138.8(3) . . . . ?
B19 B20 B24 B22 -101.2(3) . . . . ?
B19 B20 B24 B23 -37.4(3) . . . . ?
B19 B20 B24 Cl22 107.5(3) . . . . ?
B19 B23 B24 B20 37.1(3) . . . . ?
B19 B23 B24 B21 101.0(3) . . . . ?
B19 B23 B24 B22 138.1(3) . . . . ?
B19 B23 B24 Cl22 -108.1(3) . . . . ?
B20 B14 B15 B13 -138.9(3) . . . . ?
B20 B14 B15 B16 -100.4(3) . . . . ?
B20 B14 B15 B21 -36.8(3) . . . . ?
B20 B14 B15 Cl12 108.2(3) . . . . ?
B20 B14 B18 B13 102.6(3) . . . . ?
B20 B14 B18 B17 64.0(3) . . . . ?
B20 B14 B18 B19 -37.0(3) . . . . ?
B20 B14 B18 B23 0.5(4) . . . . ?
B20 B14 B18 Cl17 -147.0(3) . . . . ?
B20 B14 B19 B18 138.1(3) . . . . ?
B20 B14 B19 B23 100.7(3) . . . . ?
B20 B14 B19 B24 37.6(3) . . . . ?
B20 B14 B19 Cl21 -110.0(3) . . . . ?
B20 B15 B16 B13 -101.8(3) . . . . ?
B20 B15 B16 B17 -63.2(3) . . . . ?
B20 B15 B16 B21 37.3(2) . . . . ?
B20 B15 B16 B22 0.1(3) . . . . ?
B20 B15 B16 Cl13 147.8(3) . . . . ?
B20 B15 B21 B16 -138.0(3) . . . . ?
B20 B15 B21 B22 -100.8(3) . . . . ?
B20 B15 B21 B24 -37.4(3) . . . . ?
B20 B15 B21 Cl14 110.2(3) . . . . ?
B20 B19 B23 B17 63.3(3) . . . . ?
B20 B19 B23 B18 100.9(3) . . . . ?
B20 B19 B23 B22 0.2(4) . . . . ?
B20 B19 B23 B24 -37.2(3) . . . . ?
B20 B19 B23 Cl20 -146.9(3) . . . . ?
B20 B19 B24 B21 37.0(3) . . . . ?
B20 B19 B24 B22 100.8(3) . . . . ?
B20 B19 B24 B23 138.4(3) . . . . ?
B20 B19 B24 Cl22 -111.2(3) . . . . ?
B20 B21 B22 B16 -100.3(3) . . . . ?
B20 B21 B22 B17 -62.9(3) . . . . ?
B20 B21 B22 B23 0.6(4) . . . . ?
B20 B21 B22 B24 37.5(3) . . . . ?
B20 B21 B22 Cl19 149.8(3) . . . . ?
B20 B21 B24 B19 -36.8(3) . . . . ?
B20 B21 B24 B22 -138.0(3) . . . . ?
B20 B21 B24 B23 -100.8(3) . . . . ?
B20 B21 B24 Cl22 109.5(3) . . . . ?
B21 B15 B16 B13 -139.1(3) . . . . ?
B21 B15 B16 B17 -100.5(3) . . . . ?
B21 B15 B16 B22 -37.2(2) . . . . ?
B21 B15 B16 Cl13 110.5(3) . . . . ?
B21 B15 B20 B14 138.7(3) . . . . ?
B21 B15 B20 B19 101.3(3) . . . . ?
B21 B15 B20 B24 37.5(3) . . . . ?
B21 B15 B20 Cl15 -111.0(3) . . . . ?
B21 B16 B17 B13 -102.3(3) . . . . ?
B21 B16 B17 B18 -63.6(3) . . . . ?
B21 B16 B17 B22 37.4(3) . . . . ?
B21 B16 B17 B23 0.1(4) . . . . ?
B21 B16 B17 Cl18 147.5(3) . . . . ?
B21 B16 B22 B17 -137.9(3) . . . . ?
B21 B16 B22 B23 -100.7(3) . . . . ?
B21 B16 B22 B24 -37.6(2) . . . . ?
B21 B16 B22 Cl19 112.6(3) . . . . ?
B21 B20 B24 B19 138.8(3) . . . . ?
B21 B20 B24 B22 37.7(3) . . . . ?
B21 B20 B24 B23 101.4(3) . . . . ?
B21 B20 B24 Cl22 -113.7(3) . . . . ?
B21 B22 B23 B17 -100.8(3) . . . . ?
B21 B22 B23 B18 -63.8(4) . . . . ?
B21 B22 B23 B19 -0.5(4) . . . . ?
B21 B22 B23 B24 36.9(3) . . . . ?
B21 B22 B23 Cl20 145.8(3) . . . . ?
B21 B22 B24 B19 -101.0(3) . . . . ?
B21 B22 B24 B20 -37.7(3) . . . . ?
B21 B22 B24 B23 -138.7(3) . . . . ?
B21 B22 B24 Cl22 112.8(3) . . . . ?
B22 B16 B17 B13 -139.7(3) . . . . ?
B22 B16 B17 B18 -101.0(3) . . . . ?
B22 B16 B17 B23 -37.3(3) . . . . ?
B22 B16 B17 Cl18 110.1(3) . . . . ?
B22 B16 B21 B15 138.3(3) . . . . ?
B22 B16 B21 B20 100.9(3) . . . . ?
B22 B16 B21 B24 37.7(3) . . . . ?
B22 B16 B21 Cl14 -111.5(3) . . . . ?
B22 B17 B18 B13 -102.8(3) . . . . ?
B22 B17 B18 B14 -64.2(3) . . . . ?
B22 B17 B18 B19 -0.7(4) . . . . ?
B22 B17 B18 B23 37.2(3) . . . . ?
B22 B17 B18 Cl17 146.4(3) . . . . ?
B22 B17 B23 B18 -138.6(3) . . . . ?
B22 B17 B23 B19 -100.9(3) . . . . ?
B22 B17 B23 B24 -37.8(3) . . . . ?
B22 B17 B23 Cl20 110.7(3) . . . . ?
B22 B21 B24 B19 101.2(3) . . . . ?
B22 B21 B24 B20 138.0(3) . . . . ?
B22 B21 B24 B23 37.2(3) . . . . ?
B22 B21 B24 Cl22 -112.5(3) . . . . ?
B22 B23 B24 B19 -138.1(3) . . . . ?
B22 B23 B24 B20 -101.1(3) . . . . ?
B22 B23 B24 B21 -37.2(3) . . . . ?
B22 B23 B24 Cl22 113.7(3) . . . . ?
B23 B17 B18 B13 -140.0(3) . . . . ?
B23 B17 B18 B14 -101.4(3) . . . . ?
B23 B17 B18 B19 -37.9(3) . . . . ?
B23 B17 B18 Cl17 109.3(3) . . . . ?
B23 B17 B22 B16 138.5(3) . . . . ?
B23 B17 B22 B21 100.7(3) . . . . ?
B23 B17 B22 B24 37.6(3) . . . . ?
B23 B17 B22 Cl19 -111.1(3) . . . . ?
B23 B18 B19 B14 -138.2(3) . . . . ?
B23 B18 B19 B20 -100.7(3) . . . . ?
B23 B18 B19 B24 -37.2(3) . . . . ?
B23 B18 B19 Cl21 110.4(3) . . . . ?
B23 B19 B20 B14 -100.8(3) . . . . ?
B23 B19 B20 B15 -63.8(3) . . . . ?
B23 B19 B20 B21 0.2(4) . . . . ?
B23 B19 B20 B24 37.0(3) . . . . ?
B23 B19 B20 Cl15 148.9(3) . . . . ?
B23 B19 B24 B20 -138.4(3) . . . . ?
B23 B19 B24 B21 -101.4(3) . . . . ?
B23 B19 B24 B22 -37.6(3) . . . . ?
B23 B19 B24 Cl22 110.5(3) . . . . ?
B23 B22 B24 B19 37.7(3) . . . . ?
B23 B22 B24 B20 100.9(3) . . . . ?
B23 B22 B24 B21 138.7(3) . . . . ?
B23 B22 B24 Cl22 -108.6(3) . . . . ?
B24 B19 B20 B14 -137.9(3) . . . . ?
B24 B19 B20 B15 -100.8(3) . . . . ?
B24 B19 B20 B21 -36.9(3) . . . . ?
B24 B19 B20 Cl15 111.9(3) . . . . ?
B24 B19 B23 B17 100.5(3) . . . . ?
B24 B19 B23 B18 138.1(3) . . . . ?
B24 B19 B23 B22 37.4(3) . . . . ?
B24 B19 B23 Cl20 -109.7(3) . . . . ?
B24 B20 B21 B15 -138.0(3) . . . . ?
B24 B20 B21 B16 -100.8(3) . . . . ?
B24 B20 B21 B22 -37.6(3) . . . . ?
B24 B20 B21 Cl14 111.0(3) . . . . ?
B24 B21 B22 B16 -137.8(3) . . . . ?
B24 B21 B22 B17 -100.3(3) . . . . ?
B24 B21 B22 B23 -36.8(3) . . . . ?
B24 B21 B22 Cl19 112.4(3) . . . . ?
B24 B22 B23 B17 -137.6(3) . . . . ?
B24 B22 B23 B18 -100.7(3) . . . . ?
B24 B22 B23 B19 -37.4(3) . . . . ?
B24 B22 B23 Cl20 108.9(3) . . . . ?
C149 C148 O2 B13 -154.5(3) . . . . ?
O2 B13 B14 B15 119.9(4) . . . . ?
O2 B13 B14 B18 -103.5(4) . . . . ?
O2 B13 B14 B19 -139.7(3) . . . . ?
O2 B13 B14 B20 157.1(3) . . . . ?
O2 B13 B14 Cl16 9.4(5) . . . . ?
O2 B13 B15 B14 -111.8(4) . . . . ?
O2 B13 B15 B16 111.0(4) . . . . ?
O2 B13 B15 B20 -148.7(3) . . . . ?
O2 B13 B15 B21 147.9(3) . . . . ?
O2 B13 B15 Cl12 0.3(5) . . . . ?
O2 B13 B16 B15 -120.1(4) . . . . ?
O2 B13 B16 B17 103.1(4) . . . . ?
O2 B13 B16 B21 -157.1(3) . . . . ?
O2 B13 B16 B22 139.4(3) . . . . ?
O2 B13 B16 Cl13 -9.9(5) . . . . ?
O2 B13 B17 B16 -115.8(3) . . . . ?
O2 B13 B17 B18 107.1(3) . . . . ?
O2 B13 B17 B22 -152.5(3) . . . . ?
O2 B13 B17 B23 143.3(3) . . . . ?
O2 B13 B17 Cl18 -4.1(4) . . . . ?
O2 B13 B18 B14 116.6(3) . . . . ?
O2 B13 B18 B17 -106.6(3) . . . . ?
O2 B13 B18 B19 153.1(3) . . . . ?
O2 B13 B18 B23 -142.8(3) . . . . ?
O2 B13 B18 Cl17 4.4(4) . . . . ?
O2 C148 C149 C150 71.2(4) . . . . ?
Cl12 B15 B16 B13 113.4(3) . . . . ?
Cl12 B15 B16 B17 152.0(3) . . . . ?
Cl12 B15 B16 B21 -107.5(3) . . . . ?
Cl12 B15 B16 B22 -144.7(3) . . . . ?
Cl12 B15 B16 Cl13 3.0(4) . . . . ?
Cl12 B15 B20 B14 -113.2(3) . . . . ?
Cl12 B15 B20 B19 -150.7(3) . . . . ?
Cl12 B15 B20 B21 108.0(3) . . . . ?
Cl12 B15 B20 B24 145.5(3) . . . . ?
Cl12 B15 B20 Cl15 -2.9(4) . . . . ?
Cl12 B15 B21 B16 112.2(3) . . . . ?
Cl12 B15 B21 B20 -109.8(3) . . . . ?
Cl12 B15 B21 B22 149.4(3) . . . . ?
Cl12 B15 B21 B24 -147.2(3) . . . . ?
Cl12 B15 B21 Cl14 0.4(4) . . . . ?
Cl13 B16 B17 B13 109.4(3) . . . . ?
Cl13 B16 B17 B18 148.1(3) . . . . ?
Cl13 B16 B17 B22 -110.9(3) . . . . ?
Cl13 B16 B17 B23 -148.2(3) . . . . ?
Cl13 B16 B17 Cl18 -0.8(4) . . . . ?
Cl13 B16 B21 B15 -110.1(3) . . . . ?
Cl13 B16 B21 B20 -147.5(3) . . . . ?
Cl13 B16 B21 B22 111.6(3) . . . . ?
Cl13 B16 B21 B24 149.3(3) . . . . ?
Cl13 B16 B21 Cl14 0.1(4) . . . . ?
Cl13 B16 B22 B17 112.5(3) . . . . ?
Cl13 B16 B22 B21 -109.7(3) . . . . ?
Cl13 B16 B22 B23 149.6(3) . . . . ?
Cl13 B16 B22 B24 -147.2(3) . . . . ?
Cl13 B16 B22 Cl19 3.0(4) . . . . ?
Cl14 B21 B22 B16 111.6(3) . . . . ?
Cl14 B21 B22 B17 149.1(3) . . . . ?
Cl14 B21 B22 B23 -147.4(3) . . . . ?
Cl14 B21 B22 B24 -110.6(3) . . . . ?
Cl14 B21 B22 Cl19 1.8(5) . . . . ?
Cl14 B21 B24 B19 -146.9(3) . . . . ?
Cl14 B21 B24 B20 -110.2(3) . . . . ?
Cl14 B21 B24 B22 111.9(3) . . . . ?
Cl14 B21 B24 B23 149.1(3) . . . . ?
Cl14 B21 B24 Cl22 -0.6(5) . . . . ?
Cl15 B20 B21 B15 110.1(3) . . . . ?
Cl15 B20 B21 B16 147.3(3) . . . . ?
Cl15 B20 B21 B22 -149.5(3) . . . . ?
Cl15 B20 B21 B24 -111.9(3) . . . . ?
Cl15 B20 B21 Cl14 -0.9(4) . . . . ?
Cl15 B20 B24 B19 -111.1(3) . . . . ?
Cl15 B20 B24 B21 110.1(3) . . . . ?
Cl15 B20 B24 B22 147.8(3) . . . . ?
Cl15 B20 B24 B23 -148.5(3) . . . . ?
Cl15 B20 B24 Cl22 -3.6(4) . . . . ?
Cl16 B14 B15 B13 110.9(3) . . . . ?
Cl16 B14 B15 B16 149.4(3) . . . . ?
Cl16 B14 B15 B20 -110.2(3) . . . . ?
Cl16 B14 B15 B21 -147.0(3) . . . . ?
Cl16 B14 B15 Cl12 -2.0(4) . . . . ?
Cl16 B14 B18 B13 -110.0(3) . . . . ?
Cl16 B14 B18 B17 -148.6(3) . . . . ?
Cl16 B14 B18 B19 110.3(3) . . . . ?
Cl16 B14 B18 B23 147.9(3) . . . . ?
Cl16 B14 B18 Cl17 0.4(4) . . . . ?
Cl16 B14 B19 B18 -112.5(3) . . . . ?
Cl16 B14 B19 B20 109.5(3) . . . . ?
Cl16 B14 B19 B23 -149.8(3) . . . . ?
Cl16 B14 B19 B24 147.1(3) . . . . ?
Cl16 B14 B19 Cl21 -0.6(4) . . . . ?
Cl16 B14 B20 B15 110.5(3) . . . . ?
Cl16 B14 B20 B19 -111.1(3) . . . . ?
Cl16 B14 B20 B21 147.6(3) . . . . ?
Cl16 B14 B20 B24 -148.9(3) . . . . ?
Cl16 B14 B20 Cl15 0.6(4) . . . . ?
Cl17 B18 B19 B14 112.4(3) . . . . ?
Cl17 B18 B19 B20 149.9(3) . . . . ?
Cl17 B18 B19 B23 -109.5(3) . . . . ?
Cl17 B18 B19 B24 -146.7(3) . . . . ?
Cl17 B18 B19 Cl21 0.9(5) . . . . ?
Cl17 B18 B23 B17 -111.4(3) . . . . ?
Cl17 B18 B23 B19 110.9(3) . . . . ?
Cl17 B18 B23 B22 -148.3(3) . . . . ?
Cl17 B18 B23 B24 148.3(3) . . . . ?
Cl17 B18 B23 Cl20 2.1(5) . . . . ?
Cl18 B17 B18 B13 110.2(3) . . . . ?
Cl18 B17 B18 B14 148.8(3) . . . . ?
Cl18 B17 B18 B19 -147.7(3) . . . . ?
Cl18 B17 B18 B23 -109.8(3) . . . . ?
Cl18 B17 B18 Cl17 -0.5(4) . . . . ?
Cl18 B17 B22 B16 -111.5(3) . . . . ?
Cl18 B17 B22 B21 -149.3(3) . . . . ?
Cl18 B17 B22 B23 110.0(3) . . . . ?
Cl18 B17 B22 B24 147.6(3) . . . . ?
Cl18 B17 B22 Cl19 -1.1(4) . . . . ?
Cl18 B17 B23 B18 111.0(3) . . . . ?
Cl18 B17 B23 B19 148.6(3) . . . . ?
Cl18 B17 B23 B22 -110.4(3) . . . . ?
Cl18 B17 B23 B24 -148.2(3) . . . . ?
Cl18 B17 B23 Cl20 0.3(5) . . . . ?
Cl19 B22 B23 B17 109.5(3) . . . . ?
Cl19 B22 B23 B18 146.4(3) . . . . ?
Cl19 B22 B23 B19 -150.2(3) . . . . ?
Cl19 B22 B23 B24 -112.9(3) . . . . ?
Cl19 B22 B23 Cl20 -3.9(5) . . . . ?
Cl19 B22 B24 B19 147.5(3) . . . . ?
Cl19 B22 B24 B20 -149.3(3) . . . . ?
Cl19 B22 B24 B21 -111.6(3) . . . . ?
Cl19 B22 B24 B23 109.8(3) . . . . ?
Cl19 B22 B24 Cl22 1.2(4) . . . . ?
Cl20 B23 B24 B19 109.6(3) . . . . ?
Cl20 B23 B24 B20 146.7(3) . . . . ?
Cl20 B23 B24 B21 -149.4(3) . . . . ?
Cl20 B23 B24 B22 -112.2(3) . . . . ?
Cl20 B23 B24 Cl22 1.5(4) . . . . ?
Cl21 B19 B20 B14 112.0(3) . . . . ?
Cl21 B19 B20 B15 149.1(3) . . . . ?
Cl21 B19 B20 B21 -147.0(3) . . . . ?
Cl21 B19 B20 B24 -110.1(3) . . . . ?
Cl21 B19 B20 Cl15 1.8(4) . . . . ?
Cl21 B19 B23 B17 -149.7(3) . . . . ?
Cl21 B19 B23 B18 -112.1(3) . . . . ?
Cl21 B19 B23 B22 147.2(3) . . . . ?
Cl21 B19 B23 B24 109.8(3) . . . . ?
Cl21 B19 B23 Cl20 0.0(4) . . . . ?
Cl21 B19 B24 B20 110.6(3) . . . . ?
Cl21 B19 B24 B21 147.7(3) . . . . ?
Cl21 B19 B24 B22 -148.6(3) . . . . ?
Cl21 B19 B24 B23 -111.0(3) . . . . ?
Cl21 B19 B24 Cl22 -0.5(4) . . . . ?
B25 B26 B27 B28 38.9(2) . . . . ?
B25 B26 B27 B32 139.8(3) . . . . ?
B25 B26 B27 B33 102.4(3) . . . . ?
B25 B26 B27 Cl25 -109.4(3) . . . . ?
B25 B26 B30 B29 -39.1(2) . . . . ?
B25 B26 B30 B31 -139.3(3) . . . . ?
B25 B26 B30 B35 -102.4(3) . . . . ?
B25 B26 B30 Cl27 112.9(3) . . . . ?
B25 B26 B31 B30 36.9(3) . . . . ?
B25 B26 B31 B32 -101.6(3) . . . . ?
B25 B26 B31 B35 -0.3(3) . . . . ?
B25 B26 B31 B36 -64.2(3) . . . . ?
B25 B26 B31 Cl32 148.0(2) . . . . ?
B25 B26 B32 B27 -36.6(2) . . . . ?
B25 B26 B32 B31 101.5(3) . . . . ?
B25 B26 B32 B33 0.8(3) . . . . ?
B25 B26 B32 B36 64.3(3) . . . . ?
B25 B26 B32 Cl31 -148.0(3) . . . . ?
B25 B27 B28 B29 38.8(2) . . . . ?
B25 B27 B28 B33 140.1(3) . . . . ?
B25 B27 B28 B34 103.0(3) . . . . ?
B25 B27 B28 Cl24 -108.7(3) . . . . ?
B25 B27 B32 B26 36.3(2) . . . . ?
B25 B27 B32 B31 -1.3(4) . . . . ?
B25 B27 B32 B33 -102.0(3) . . . . ?
B25 B27 B32 B36 -64.9(3) . . . . ?
B25 B27 B32 Cl31 145.7(3) . . . . ?
B25 B27 B33 B28 -36.3(2) . . . . ?
B25 B27 B33 B32 101.4(3) . . . . ?
B25 B27 B33 B34 0.7(4) . . . . ?
B25 B27 B33 B36 64.1(3) . . . . ?
B25 B27 B33 Cl30 -146.9(3) . . . . ?
B25 B28 B29 B30 38.6(2) . . . . ?
B25 B28 B29 B34 139.8(3) . . . . ?
B25 B28 B29 B35 102.3(3) . . . . ?
B25 B28 B29 Cl23 -110.7(3) . . . . ?
B25 B28 B33 B27 36.3(2) . . . . ?
B25 B28 B33 B32 -1.2(3) . . . . ?
B25 B28 B33 B34 -102.3(3) . . . . ?
B25 B28 B33 B36 -64.8(3) . . . . ?
B25 B28 B33 Cl30 147.6(3) . . . . ?
B25 B28 B34 B29 -36.9(2) . . . . ?
B25 B28 B34 B33 101.7(3) . . . . ?
B25 B28 B34 B35 0.6(3) . . . . ?
B25 B28 B34 B36 64.1(3) . . . . ?
B25 B28 B34 Cl29 -147.3(2) . . . . ?
B25 B29 B30 B26 38.8(2) . . . . ?
B25 B29 B30 B31 102.1(3) . . . . ?
B25 B29 B30 B35 139.4(3) . . . . ?
B25 B29 B30 Cl27 -113.1(3) . . . . ?
B25 B29 B34 B28 36.6(2) . . . . ?
B25 B29 B34 B33 -0.3(3) . . . . ?
B25 B29 B34 B35 -101.2(3) . . . . ?
B25 B29 B34 B36 -63.6(3) . . . . ?
B25 B29 B34 Cl29 148.3(3) . . . . ?
B25 B29 B35 B30 -36.7(2) . . . . ?
B25 B29 B35 B31 1.0(3) . . . . ?
B25 B29 B35 B34 101.9(3) . . . . ?
B25 B29 B35 B36 64.5(3) . . . . ?
B25 B29 B35 Cl28 -146.0(3) . . . . ?
B25 B30 B31 B26 -36.7(2) . . . . ?
B25 B30 B31 B32 0.5(3) . . . . ?
B25 B30 B31 B35 101.7(3) . . . . ?
B25 B30 B31 B36 64.3(3) . . . . ?
B25 B30 B31 Cl32 -148.9(3) . . . . ?
B25 B30 B35 B29 37.0(2) . . . . ?
B25 B30 B35 B31 -100.9(3) . . . . ?
B25 B30 B35 B34 -0.3(3) . . . . ?
B25 B30 B35 B36 -63.6(3) . . . . ?
B25 B30 B35 Cl28 148.7(2) . . . . ?
B26 B25 B27 B28 -136.5(3) . . . . ?
B26 B25 B27 B32 -36.4(3) . . . . ?
B26 B25 B27 B33 -100.4(3) . . . . ?
B26 B25 B27 Cl25 112.3(3) . . . . ?
B26 B25 B28 B27 37.9(2) . . . . ?
B26 B25 B28 B29 -99.3(3) . . . . ?
B26 B25 B28 B33 1.7(3) . . . . ?
B26 B25 B28 B34 -62.6(3) . . . . ?
B26 B25 B28 Cl24 148.7(2) . . . . ?
B26 B25 B29 B28 98.9(3) . . . . ?
B26 B25 B29 B30 -38.0(2) . . . . ?
B26 B25 B29 B34 62.5(3) . . . . ?
B26 B25 B29 B35 -1.2(3) . . . . ?
B26 B25 B29 Cl23 -150.7(2) . . . . ?
B26 B25 B30 B29 136.5(3) . . . . ?
B26 B25 B30 B31 36.6(2) . . . . ?
B26 B25 B30 B35 99.9(3) . . . . ?
B26 B25 B30 Cl27 -111.5(3) . . . . ?
B26 B25 O3 C151 78.2(4) . . . . ?
B26 B27 B28 B25 -38.7(2) . . . . ?
B26 B27 B28 B29 0.1(3) . . . . ?
B26 B27 B28 B33 101.4(3) . . . . ?
B26 B27 B28 B34 64.3(3) . . . . ?
B26 B27 B28 Cl24 -147.4(2) . . . . ?
B26 B27 B32 B31 -37.5(3) . . . . ?
B26 B27 B32 B33 -138.3(3) . . . . ?
B26 B27 B32 B36 -101.2(3) . . . . ?
B26 B27 B32 Cl31 109.5(3) . . . . ?
B26 B27 B33 B28 -100.1(3) . . . . ?
B26 B27 B33 B32 37.5(2) . . . . ?
B26 B27 B33 B34 -63.1(3) . . . . ?
B26 B27 B33 B36 0.3(3) . . . . ?
B26 B27 B33 Cl30 149.2(2) . . . . ?
B26 B30 B31 B32 37.2(3) . . . . ?
B26 B30 B31 B35 138.4(3) . . . . ?
B26 B30 B31 B36 101.0(3) . . . . ?
B26 B30 B31 Cl32 -112.2(3) . . . . ?
B26 B30 B35 B29 100.8(3) . . . . ?
B26 B30 B35 B31 -37.1(2) . . . . ?
B26 B30 B35 B34 63.5(3) . . . . ?
B26 B30 B35 B36 0.2(3) . . . . ?
B26 B30 B35 Cl28 -147.4(3) . . . . ?
B26 B31 B32 B27 37.4(2) . . . . ?
B26 B31 B32 B33 101.0(3) . . . . ?
B26 B31 B32 B36 138.5(3) . . . . ?
B26 B31 B32 Cl31 -109.9(3) . . . . ?
B26 B31 B35 B29 -0.4(3) . . . . ?
B26 B31 B35 B30 37.0(2) . . . . ?
B26 B31 B35 B34 -64.2(3) . . . . ?
B26 B31 B35 B36 -101.5(3) . . . . ?
B26 B31 B35 Cl28 147.2(2) . . . . ?
B26 B31 B36 B32 -37.3(2) . . . . ?
B26 B31 B36 B33 0.0(3) . . . . ?
B26 B31 B36 B34 63.4(3) . . . . ?
B26 B31 B36 B35 100.6(3) . . . . ?
B26 B31 B36 Cl33 -147.1(2) . . . . ?
B26 B32 B33 B27 -37.3(2) . . . . ?
B26 B32 B33 B28 0.3(3) . . . . ?
B26 B32 B33 B34 63.6(3) . . . . ?
B26 B32 B33 B36 101.2(3) . . . . ?
B26 B32 B33 Cl30 -148.3(3) . . . . ?
B26 B32 B36 B31 37.3(2) . . . . ?
B26 B32 B36 B33 -100.7(3) . . . . ?
B26 B32 B36 B34 -63.0(3) . . . . ?
B26 B32 B36 B35 0.1(3) . . . . ?
B26 B32 B36 Cl33 148.3(3) . . . . ?
B27 B25 B26 B30 136.7(3) . . . . ?
B27 B25 B26 B31 99.8(3) . . . . ?
B27 B25 B26 B32 36.2(2) . . . . ?
B27 B25 B26 Cl26 -111.9(3) . . . . ?
B27 B25 B28 B29 -137.2(3) . . . . ?
B27 B25 B28 B33 -36.2(2) . . . . ?
B27 B25 B28 B34 -100.4(3) . . . . ?
B27 B25 B28 Cl24 110.9(3) . . . . ?
B27 B25 B29 B28 37.2(2) . . . . ?
B27 B25 B29 B30 -99.7(3) . . . . ?
B27 B25 B29 B34 0.7(3) . . . . ?
B27 B25 B29 B35 -63.0(3) . . . . ?
B27 B25 B29 Cl23 147.6(2) . . . . ?
B27 B25 B30 B26 -37.8(2) . . . . ?
B27 B25 B30 B29 98.7(3) . . . . ?
B27 B25 B30 B31 -1.2(3) . . . . ?
B27 B25 B30 B35 62.1(3) . . . . ?
B27 B25 B30 Cl27 -149.3(3) . . . . ?
B27 B25 O3 C151 148.7(3) . . . . ?
B27 B26 B30 B25 39.0(2) . . . . ?
B27 B26 B30 B29 -0.1(3) . . . . ?
B27 B26 B30 B31 -100.3(3) . . . . ?
B27 B26 B30 B35 -63.4(3) . . . . ?
B27 B26 B30 Cl27 151.9(2) . . . . ?
B27 B26 B31 B30 101.3(3) . . . . ?
B27 B26 B31 B32 -37.2(2) . . . . ?
B27 B26 B31 B35 64.0(3) . . . . ?
B27 B26 B31 B36 0.1(3) . . . . ?
B27 B26 B31 Cl32 -147.6(2) . . . . ?
B27 B26 B32 B31 138.1(3) . . . . ?
B27 B26 B32 B33 37.4(2) . . . . ?
B27 B26 B32 B36 100.8(3) . . . . ?
B27 B26 B32 Cl31 -111.4(3) . . . . ?
B27 B28 B29 B25 -38.6(2) . . . . ?
B27 B28 B29 B30 -0.1(3) . . . . ?
B27 B28 B29 B34 101.1(3) . . . . ?
B27 B28 B29 B35 63.6(3) . . . . ?
B27 B28 B29 Cl23 -149.3(2) . . . . ?
B27 B28 B33 B32 -37.6(2) . . . . ?
B27 B28 B33 B34 -138.6(3) . . . . ?
B27 B28 B33 B36 -101.1(3) . . . . ?
B27 B28 B33 Cl30 111.3(3) . . . . ?
B27 B28 B34 B29 -101.4(3) . . . . ?
B27 B28 B34 B33 37.1(2) . . . . ?
B27 B28 B34 B35 -64.0(3) . . . . ?
B27 B28 B34 B36 -0.4(3) . . . . ?
B27 B28 B34 Cl29 148.2(2) . . . . ?
B27 B32 B33 B28 37.6(2) . . . . ?
B27 B32 B33 B34 100.9(3) . . . . ?
B27 B32 B33 B36 138.6(3) . . . . ?
B27 B32 B33 Cl30 -111.0(3) . . . . ?
B27 B32 B36 B31 100.8(3) . . . . ?
B27 B32 B36 B33 -37.2(2) . . . . ?
B27 B32 B36 B34 0.5(3) . . . . ?
B27 B32 B36 B35 63.6(3) . . . . ?
B27 B32 B36 Cl33 -148.1(2) . . . . ?
B27 B33 B34 B28 -36.9(2) . . . . ?
B27 B33 B34 B29 -0.3(3) . . . . ?
B27 B33 B34 B35 62.9(3) . . . . ?
B27 B33 B34 B36 101.0(3) . . . . ?
B27 B33 B34 Cl29 -148.7(3) . . . . ?
B27 B33 B36 B31 -0.2(3) . . . . ?
B27 B33 B36 B32 37.0(2) . . . . ?
B27 B33 B36 B34 -100.8(3) . . . . ?
B27 B33 B36 B35 -63.0(3) . . . . ?
B27 B33 B36 Cl33 147.0(2) . . . . ?
B28 B25 B26 B27 -37.7(2) . . . . ?
B28 B25 B26 B30 99.0(3) . . . . ?
B28 B25 B26 B31 62.1(3) . . . . ?
B28 B25 B26 B32 -1.5(3) . . . . ?
B28 B25 B26 Cl26 -149.6(2) . . . . ?
B28 B25 B27 B26 136.5(3) . . . . ?
B28 B25 B27 B32 100.2(3) . . . . ?
B28 B25 B27 B33 36.1(2) . . . . ?
B28 B25 B27 Cl25 -111.2(3) . . . . ?
B28 B25 B29 B30 -136.9(3) . . . . ?
B28 B25 B29 B34 -36.4(2) . . . . ?
B28 B25 B29 B35 -100.1(3) . . . . ?
B28 B25 B29 Cl23 110.4(3) . . . . ?
B28 B25 B30 B26 -99.3(3) . . . . ?
B28 B25 B30 B29 37.3(2) . . . . ?
B28 B25 B30 B31 -62.7(3) . . . . ?
B28 B25 B30 B35 0.6(3) . . . . ?
B28 B25 B30 Cl27 149.2(2) . . . . ?
B28 B25 O3 C151 -143.5(3) . . . . ?
B28 B27 B32 B26 100.4(3) . . . . ?
B28 B27 B32 B31 62.9(3) . . . . ?
B28 B27 B32 B33 -37.8(2) . . . . ?
B28 B27 B32 B36 -0.8(3) . . . . ?
B28 B27 B32 Cl31 -150.1(3) . . . . ?
B28 B27 B33 B32 137.7(3) . . . . ?
B28 B27 B33 B34 37.0(2) . . . . ?
B28 B27 B33 B36 100.4(3) . . . . ?
B28 B27 B33 Cl30 -110.6(3) . . . . ?
B28 B29 B30 B25 -38.7(2) . . . . ?
B28 B29 B30 B26 0.1(3) . . . . ?
B28 B29 B30 B31 63.4(3) . . . . ?
B28 B29 B30 B35 100.7(3) . . . . ?
B28 B29 B30 Cl27 -151.8(2) . . . . ?
B28 B29 B34 B33 -36.9(2) . . . . ?
B28 B29 B34 B35 -137.9(3) . . . . ?
B28 B29 B34 B36 -100.2(3) . . . . ?
B28 B29 B34 Cl29 111.7(3) . . . . ?
B28 B29 B35 B30 -100.9(3) . . . . ?
B28 B29 B35 B31 -63.2(3) . . . . ?
B28 B29 B35 B34 37.7(2) . . . . ?
B28 B29 B35 B36 0.3(3) . . . . ?
B28 B29 B35 Cl28 149.8(3) . . . . ?
B28 B33 B34 B29 36.6(2) . . . . ?
B28 B33 B34 B35 99.8(3) . . . . ?
B28 B33 B34 B36 137.9(3) . . . . ?
B28 B33 B34 Cl29 -111.8(3) . . . . ?
B28 B33 B36 B31 63.0(3) . . . . ?
B28 B33 B36 B32 100.2(3) . . . . ?
B28 B33 B36 B34 -37.6(2) . . . . ?
B28 B33 B36 B35 0.2(3) . . . . ?
B28 B33 B36 Cl33 -149.8(2) . . . . ?
B28 B34 B35 B29 -37.1(2) . . . . ?
B28 B34 B35 B30 -0.2(3) . . . . ?
B28 B34 B35 B31 63.6(3) . . . . ?
B28 B34 B35 B36 101.0(3) . . . . ?
B28 B34 B35 Cl28 -148.4(2) . . . . ?
B28 B34 B36 B31 -62.9(3) . . . . ?
B28 B34 B36 B32 -0.1(3) . . . . ?
B28 B34 B36 B33 37.5(2) . . . . ?
B28 B34 B36 B35 -100.0(3) . . . . ?
B28 B34 B36 Cl33 147.9(2) . . . . ?
B29 B25 B26 B27 -98.8(3) . . . . ?
B29 B25 B26 B30 37.8(2) . . . . ?
B29 B25 B26 B31 0.9(3) . . . . ?
B29 B25 B26 B32 -62.7(3) . . . . ?
B29 B25 B26 Cl26 149.2(2) . . . . ?
B29 B25 B27 B26 99.5(3) . . . . ?
B29 B25 B27 B28 -37.0(2) . . . . ?
B29 B25 B27 B32 63.2(3) . . . . ?
B29 B25 B27 B33 -0.9(3) . . . . ?
B29 B25 B27 Cl25 -148.2(3) . . . . ?
B29 B25 B28 B27 137.2(3) . . . . ?
B29 B25 B28 B33 101.0(3) . . . . ?
B29 B25 B28 B34 36.8(2) . . . . ?
B29 B25 B28 Cl24 -111.9(3) . . . . ?
B29 B25 B30 B26 -136.5(3) . . . . ?
B29 B25 B30 B31 -99.9(3) . . . . ?
B29 B25 B30 B35 -36.6(2) . . . . ?
B29 B25 B30 Cl27 112.0(3) . . . . ?
B29 B25 O3 C151 -74.0(4) . . . . ?
B29 B28 B33 B27 101.1(3) . . . . ?
B29 B28 B33 B32 63.6(3) . . . . ?
B29 B28 B33 B34 -37.5(3) . . . . ?
B29 B28 B33 B36 0.0(3) . . . . ?
B29 B28 B33 Cl30 -147.6(3) . . . . ?
B29 B28 B34 B33 138.5(3) . . . . ?
B29 B28 B34 B35 37.4(2) . . . . ?
B29 B28 B34 B36 101.0(3) . . . . ?
B29 B28 B34 Cl29 -110.4(3) . . . . ?
B29 B30 B31 B26 -100.9(3) . . . . ?
B29 B30 B31 B32 -63.8(3) . . . . ?
B29 B30 B31 B35 37.5(2) . . . . ?
B29 B30 B31 B36 0.1(3) . . . . ?
B29 B30 B31 Cl32 146.9(3) . . . . ?
B29 B30 B35 B31 -137.9(3) . . . . ?
B29 B30 B35 B34 -37.2(2) . . . . ?
B29 B30 B35 B36 -100.6(3) . . . . ?
B29 B30 B35 Cl28 111.8(3) . . . . ?
B29 B34 B35 B30 37.0(2) . . . . ?
B29 B34 B35 B31 100.7(3) . . . . ?
B29 B34 B35 B36 138.1(3) . . . . ?
B29 B34 B35 Cl28 -111.3(3) . . . . ?
B29 B34 B36 B31 -0.3(3) . . . . ?
B29 B34 B36 B32 62.5(3) . . . . ?
B29 B34 B36 B33 100.1(3) . . . . ?
B29 B34 B36 B35 -37.4(2) . . . . ?
B29 B34 B36 Cl33 -149.5(2) . . . . ?
B29 B35 B36 B31 -100.6(3) . . . . ?
B29 B35 B36 B32 -63.4(3) . . . . ?
B29 B35 B36 B33 -0.3(3) . . . . ?
B29 B35 B36 B34 37.6(2) . . . . ?
B29 B35 B36 Cl33 149.2(3) . . . . ?
B30 B25 B26 B27 -136.7(3) . . . . ?
B30 B25 B26 B31 -36.9(2) . . . . ?
B30 B25 B26 B32 -100.5(3) . . . . ?
B30 B25 B26 Cl26 111.4(3) . . . . ?
B30 B25 B27 B26 37.9(2) . . . . ?
B30 B25 B27 B28 -98.7(3) . . . . ?
B30 B25 B27 B32 1.5(3) . . . . ?
B30 B25 B27 B33 -62.5(3) . . . . ?
B30 B25 B27 Cl25 150.2(3) . . . . ?
B30 B25 B28 B27 99.7(3) . . . . ?
B30 B25 B28 B29 -37.5(2) . . . . ?
B30 B25 B28 B33 63.5(3) . . . . ?
B30 B25 B28 B34 -0.7(3) . . . . ?
B30 B25 B28 Cl24 -149.4(2) . . . . ?
B30 B25 B29 B28 136.9(3) . . . . ?
B30 B25 B29 B34 100.4(3) . . . . ?
B30 B25 B29 B35 36.7(2) . . . . ?
B30 B25 B29 Cl23 -112.7(3) . . . . ?
B30 B25 O3 C151 1.7(5) . . . . ?
B30 B26 B27 B25 -38.9(2) . . . . ?
B30 B26 B27 B28 0.0(3) . . . . ?
B30 B26 B27 B32 100.9(3) . . . . ?
B30 B26 B27 B33 63.5(3) . . . . ?
B30 B26 B27 Cl25 -148.3(2) . . . . ?
B30 B26 B31 B32 -138.5(3) . . . . ?
B30 B26 B31 B35 -37.3(2) . . . . ?
B30 B26 B31 B36 -101.2(3) . . . . ?
B30 B26 B31 Cl32 111.1(3) . . . . ?
B30 B26 B32 B27 -100.8(3) . . . . ?
B30 B26 B32 B31 37.3(3) . . . . ?
B30 B26 B32 B33 -63.4(3) . . . . ?
B30 B26 B32 B36 0.0(4) . . . . ?
B30 B26 B32 Cl31 147.8(3) . . . . ?
B30 B29 B34 B28 100.6(3) . . . . ?
B30 B29 B34 B33 63.7(3) . . . . ?
B30 B29 B34 B35 -37.3(2) . . . . ?
B30 B29 B34 B36 0.4(3) . . . . ?
B30 B29 B34 Cl29 -147.8(2) . . . . ?
B30 B29 B35 B31 37.7(2) . . . . ?
B30 B29 B35 B34 138.6(3) . . . . ?
B30 B29 B35 B36 101.2(3) . . . . ?
B30 B29 B35 Cl28 -109.3(3) . . . . ?
B30 B31 B32 B26 -36.9(2) . . . . ?
B30 B31 B32 B27 0.5(3) . . . . ?
B30 B31 B32 B33 64.1(3) . . . . ?
B30 B31 B32 B36 101.6(3) . . . . ?
B30 B31 B32 Cl31 -146.8(3) . . . . ?
B30 B31 B35 B29 -37.5(2) . . . . ?
B30 B31 B35 B34 -101.2(3) . . . . ?
B30 B31 B35 B36 -138.5(3) . . . . ?
B30 B31 B35 Cl28 110.1(3) . . . . ?
B30 B31 B36 B32 -100.6(3) . . . . ?
B30 B31 B36 B33 -63.2(3) . . . . ?
B30 B31 B36 B34 0.1(3) . . . . ?
B30 B31 B36 B35 37.4(2) . . . . ?
B30 B31 B36 Cl33 149.7(2) . . . . ?
B30 B35 B36 B31 -37.4(2) . . . . ?
B30 B35 B36 B32 -0.2(3) . . . . ?
B30 B35 B36 B33 62.9(3) . . . . ?
B30 B35 B36 B34 100.8(3) . . . . ?
B30 B35 B36 Cl33 -147.6(3) . . . . ?
B31 B26 B27 B25 -102.7(3) . . . . ?
B31 B26 B27 B28 -63.8(3) . . . . ?
B31 B26 B27 B32 37.2(2) . . . . ?
B31 B26 B27 B33 -0.3(3) . . . . ?
B31 B26 B27 Cl25 148.0(2) . . . . ?
B31 B26 B30 B25 139.3(3) . . . . ?
B31 B26 B30 B29 100.2(3) . . . . ?
B31 B26 B30 B35 36.9(2) . . . . ?
B31 B26 B30 Cl27 -107.8(3) . . . . ?
B31 B26 B32 B27 -138.1(3) . . . . ?
B31 B26 B32 B33 -100.7(3) . . . . ?
B31 B26 B32 B36 -37.3(3) . . . . ?
B31 B26 B32 Cl31 110.5(3) . . . . ?
B31 B30 B35 B29 137.9(3) . . . . ?
B31 B30 B35 B34 100.6(3) . . . . ?
B31 B30 B35 B36 37.3(2) . . . . ?
B31 B30 B35 Cl28 -110.3(3) . . . . ?
B31 B32 B33 B27 -101.0(3) . . . . ?
B31 B32 B33 B28 -63.4(3) . . . . ?
B31 B32 B33 B34 0.0(3) . . . . ?
B31 B32 B33 B36 37.6(2) . . . . ?
B31 B32 B33 Cl30 148.1(2) . . . . ?
B31 B32 B36 B33 -138.0(3) . . . . ?
B31 B32 B36 B34 -100.3(3) . . . . ?
B31 B32 B36 B35 -37.2(2) . . . . ?
B31 B32 B36 Cl33 111.0(3) . . . . ?
B31 B35 B36 B32 37.2(2) . . . . ?
B31 B35 B36 B33 100.2(3) . . . . ?
B31 B35 B36 B34 138.1(3) . . . . ?
B31 B35 B36 Cl33 -110.3(3) . . . . ?
B32 B26 B27 B25 -139.8(3) . . . . ?
B32 B26 B27 B28 -100.9(3) . . . . ?
B32 B26 B27 B33 -37.4(2) . . . . ?
B32 B26 B27 Cl25 110.8(3) . . . . ?
B32 B26 B30 B25 102.3(3) . . . . ?
B32 B26 B30 B29 63.2(3) . . . . ?
B32 B26 B30 B31 -37.0(2) . . . . ?
B32 B26 B30 B35 -0.1(3) . . . . ?
B32 B26 B30 Cl27 -144.8(3) . . . . ?
B32 B26 B31 B30 138.5(3) . . . . ?
B32 B26 B31 B35 101.2(3) . . . . ?
B32 B26 B31 B36 37.4(2) . . . . ?
B32 B26 B31 Cl32 -110.4(3) . . . . ?
B32 B27 B28 B25 -102.3(3) . . . . ?
B32 B27 B28 B29 -63.5(3) . . . . ?
B32 B27 B28 B33 37.8(2) . . . . ?
B32 B27 B28 B34 0.7(3) . . . . ?
B32 B27 B28 Cl24 149.0(2) . . . . ?
B32 B27 B33 B28 -137.7(3) . . . . ?
B32 B27 B33 B34 -100.6(3) . . . . ?
B32 B27 B33 B36 -37.2(2) . . . . ?
B32 B27 B33 Cl30 111.7(3) . . . . ?
B32 B31 B35 B29 63.2(3) . . . . ?
B32 B31 B35 B30 100.7(3) . . . . ?
B32 B31 B35 B34 -0.5(3) . . . . ?
B32 B31 B35 B36 -37.8(2) . . . . ?
B32 B31 B35 Cl28 -149.2(2) . . . . ?
B32 B31 B36 B33 37.3(2) . . . . ?
B32 B31 B36 B34 100.7(3) . . . . ?
B32 B31 B36 B35 137.9(3) . . . . ?
B32 B31 B36 Cl33 -109.8(3) . . . . ?
B32 B33 B34 B28 -100.1(3) . . . . ?
B32 B33 B34 B29 -63.5(3) . . . . ?
B32 B33 B34 B35 -0.3(3) . . . . ?
B32 B33 B34 B36 37.8(2) . . . . ?
B32 B33 B34 Cl29 148.1(3) . . . . ?
B32 B33 B36 B31 -37.2(2) . . . . ?
B32 B33 B36 B34 -137.8(3) . . . . ?
B32 B33 B36 B35 -100.0(3) . . . . ?
B32 B33 B36 Cl33 110.0(3) . . . . ?
B33 B27 B28 B25 -140.1(3) . . . . ?
B33 B27 B28 B29 -101.4(3) . . . . ?
B33 B27 B28 B34 -37.1(2) . . . . ?
B33 B27 B28 Cl24 111.1(3) . . . . ?
B33 B27 B32 B26 138.3(3) . . . . ?
B33 B27 B32 B31 100.7(3) . . . . ?
B33 B27 B32 B36 37.1(2) . . . . ?
B33 B27 B32 Cl31 -112.3(3) . . . . ?
B33 B28 B29 B25 -102.5(3) . . . . ?
B33 B28 B29 B30 -63.9(3) . . . . ?
B33 B28 B29 B34 37.3(2) . . . . ?
B33 B28 B29 B35 -0.2(3) . . . . ?
B33 B28 B29 Cl23 146.9(3) . . . . ?
B33 B28 B34 B29 -138.5(3) . . . . ?
B33 B28 B34 B35 -101.1(3) . . . . ?
B33 B28 B34 B36 -37.5(2) . . . . ?
B33 B28 B34 Cl29 111.0(3) . . . . ?
B33 B32 B36 B31 138.0(3) . . . . ?
B33 B32 B36 B34 37.7(2) . . . . ?
B33 B32 B36 B35 100.8(3) . . . . ?
B33 B32 B36 Cl33 -111.0(3) . . . . ?
B33 B34 B35 B29 -100.2(3) . . . . ?
B33 B34 B35 B30 -63.3(3) . . . . ?
B33 B34 B35 B31 0.5(3) . . . . ?
B33 B34 B35 B36 37.9(2) . . . . ?
B33 B34 B35 Cl28 148.5(3) . . . . ?
B33 B34 B36 B31 -100.4(3) . . . . ?
B33 B34 B36 B32 -37.6(2) . . . . ?
B33 B34 B36 B35 -137.5(3) . . . . ?
B33 B34 B36 Cl33 110.4(3) . . . . ?
B34 B28 B29 B25 -139.8(3) . . . . ?
B34 B28 B29 B30 -101.2(3) . . . . ?
B34 B28 B29 B35 -37.5(2) . . . . ?
B34 B28 B29 Cl23 109.6(3) . . . . ?
B34 B28 B33 B27 138.6(3) . . . . ?
B34 B28 B33 B32 101.1(3) . . . . ?
B34 B28 B33 B36 37.5(2) . . . . ?
B34 B28 B33 Cl30 -110.1(3) . . . . ?
B34 B29 B30 B25 -102.4(3) . . . . ?
B34 B29 B30 B26 -63.6(3) . . . . ?
B34 B29 B30 B31 -0.3(3) . . . . ?
B34 B29 B30 B35 37.0(2) . . . . ?
B34 B29 B30 Cl27 144.6(2) . . . . ?
B34 B29 B35 B30 -138.6(3) . . . . ?
B34 B29 B35 B31 -100.8(3) . . . . ?
B34 B29 B35 B36 -37.3(2) . . . . ?
B34 B29 B35 Cl28 112.1(3) . . . . ?
B34 B33 B36 B31 100.6(3) . . . . ?
B34 B33 B36 B32 137.8(3) . . . . ?
B34 B33 B36 B35 37.8(2) . . . . ?
B34 B33 B36 Cl33 -112.2(3) . . . . ?
B34 B35 B36 B31 -138.1(3) . . . . ?
B34 B35 B36 B32 -100.9(3) . . . . ?
B34 B35 B36 B33 -37.9(2) . . . . ?
B34 B35 B36 Cl33 111.6(3) . . . . ?
B35 B29 B30 B25 -139.4(3) . . . . ?
B35 B29 B30 B26 -100.6(3) . . . . ?
B35 B29 B30 B31 -37.3(2) . . . . ?
B35 B29 B30 Cl27 107.6(3) . . . . ?
B35 B29 B34 B28 137.9(3) . . . . ?
B35 B29 B34 B33 101.0(3) . . . . ?
B35 B29 B34 B36 37.6(2) . . . . ?
B35 B29 B34 Cl29 -110.5(3) . . . . ?
B35 B30 B31 B26 -138.4(3) . . . . ?
B35 B30 B31 B32 -101.3(3) . . . . ?
B35 B30 B31 B36 -37.4(2) . . . . ?
B35 B30 B31 Cl32 109.4(3) . . . . ?
B35 B31 B32 B26 -100.7(3) . . . . ?
B35 B31 B32 B27 -63.3(3) . . . . ?
B35 B31 B32 B33 0.3(3) . . . . ?
B35 B31 B32 B36 37.8(2) . . . . ?
B35 B31 B32 Cl31 149.4(3) . . . . ?
B35 B31 B36 B32 -137.9(3) . . . . ?
B35 B31 B36 B33 -100.6(3) . . . . ?
B35 B31 B36 B34 -37.2(2) . . . . ?
B35 B31 B36 Cl33 112.3(3) . . . . ?
B35 B34 B36 B31 37.1(2) . . . . ?
B35 B34 B36 B32 100.0(3) . . . . ?
B35 B34 B36 B33 137.5(3) . . . . ?
B35 B34 B36 Cl33 -112.0(3) . . . . ?
B36 B31 B32 B26 -138.5(3) . . . . ?
B36 B31 B32 B27 -101.1(3) . . . . ?
B36 B31 B32 B33 -37.5(2) . . . . ?
B36 B31 B32 Cl31 111.6(3) . . . . ?
B36 B31 B35 B29 101.0(3) . . . . ?
B36 B31 B35 B30 138.5(3) . . . . ?
B36 B31 B35 B34 37.3(2) . . . . ?
B36 B31 B35 Cl28 -111.4(3) . . . . ?
B36 B32 B33 B27 -138.6(3) . . . . ?
B36 B32 B33 B28 -101.0(3) . . . . ?
B36 B32 B33 B34 -37.6(2) . . . . ?
B36 B32 B33 Cl30 110.5(3) . . . . ?
B36 B33 B34 B28 -137.9(3) . . . . ?
B36 B33 B34 B29 -101.3(3) . . . . ?
B36 B33 B34 B35 -38.1(2) . . . . ?
B36 B33 B34 Cl29 110.3(3) . . . . ?
B36 B34 B35 B29 -138.1(3) . . . . ?
B36 B34 B35 B30 -101.2(3) . . . . ?
B36 B34 B35 B31 -37.4(2) . . . . ?
B36 B34 B35 Cl28 110.5(3) . . . . ?
C152 C151 O3 B25 167.8(3) . . . . ?
O3 B25 B26 B27 104.7(4) . . . . ?
O3 B25 B26 B30 -118.6(4) . . . . ?
O3 B25 B26 B31 -155.5(3) . . . . ?
O3 B25 B26 B32 140.9(3) . . . . ?
O3 B25 B26 Cl26 -7.2(5) . . . . ?
O3 B25 B27 B26 -116.0(3) . . . . ?
O3 B25 B27 B28 107.4(3) . . . . ?
O3 B25 B27 B32 -152.4(3) . . . . ?
O3 B25 B27 B33 143.5(3) . . . . ?
O3 B25 B27 Cl25 -3.7(4) . . . . ?
O3 B25 B28 B27 -107.7(3) . . . . ?
O3 B25 B28 B29 115.1(3) . . . . ?
O3 B25 B28 B33 -143.8(3) . . . . ?
O3 B25 B28 B34 151.9(3) . . . . ?
O3 B25 B28 Cl24 3.2(4) . . . . ?
O3 B25 B29 B28 -104.4(4) . . . . ?
O3 B25 B29 B30 118.7(4) . . . . ?
O3 B25 B29 B34 -140.9(3) . . . . ?
O3 B25 B29 B35 155.4(3) . . . . ?
O3 B25 B29 Cl23 6.0(5) . . . . ?
O3 B25 B30 B26 112.2(4) . . . . ?
O3 B25 B30 B29 -111.2(4) . . . . ?
O3 B25 B30 B31 148.8(3) . . . . ?
O3 B25 B30 B35 -147.9(3) . . . . ?
O3 B25 B30 Cl27 0.8(5) . . . . ?
O3 C151 C152 C153 -65.8(4) . . . . ?
Cl23 B29 B30 B25 109.7(3) . . . . ?
Cl23 B29 B30 B26 148.5(3) . . . . ?
Cl23 B29 B30 B31 -148.2(3) . . . . ?
Cl23 B29 B30 B35 -110.9(3) . . . . ?
Cl23 B29 B30 Cl27 -3.3(4) . . . . ?
Cl23 B29 B34 B28 -110.5(3) . . . . ?
Cl23 B29 B34 B33 -147.4(2) . . . . ?
Cl23 B29 B34 B35 111.6(3) . . . . ?
Cl23 B29 B34 B36 149.2(2) . . . . ?
Cl23 B29 B34 Cl29 1.1(4) . . . . ?
Cl23 B29 B35 B30 112.4(3) . . . . ?
Cl23 B29 B35 B31 150.2(2) . . . . ?
Cl23 B29 B35 B34 -109.0(3) . . . . ?
Cl23 B29 B35 B36 -146.3(3) . . . . ?
Cl23 B29 B35 Cl28 3.1(4) . . . . ?
Cl24 B28 B29 B25 108.5(3) . . . . ?
Cl24 B28 B29 B30 147.1(2) . . . . ?
Cl24 B28 B29 B34 -111.7(3) . . . . ?
Cl24 B28 B29 B35 -149.2(2) . . . . ?
Cl24 B28 B29 Cl23 -2.1(4) . . . . ?
Cl24 B28 B33 B27 -109.9(3) . . . . ?
Cl24 B28 B33 B32 -147.5(2) . . . . ?
Cl24 B28 B33 B34 111.5(3) . . . . ?
Cl24 B28 B33 B36 149.0(2) . . . . ?
Cl24 B28 B33 Cl30 1.4(4) . . . . ?
Cl24 B28 B34 B29 110.9(3) . . . . ?
Cl24 B28 B34 B33 -110.6(3) . . . . ?
Cl24 B28 B34 B35 148.3(2) . . . . ?
Cl24 B28 B34 B36 -148.1(2) . . . . ?
Cl24 B28 B34 Cl29 0.4(4) . . . . ?
Cl25 B27 B28 B25 110.0(3) . . . . ?
Cl25 B27 B28 B29 148.7(2) . . . . ?
Cl25 B27 B28 B33 -109.9(3) . . . . ?
Cl25 B27 B28 B34 -147.0(2) . . . . ?
Cl25 B27 B28 Cl24 1.3(4) . . . . ?
Cl25 B27 B32 B26 -112.0(3) . . . . ?
Cl25 B27 B32 B31 -149.5(3) . . . . ?
Cl25 B27 B32 B33 109.7(3) . . . . ?
Cl25 B27 B32 B36 146.8(3) . . . . ?
Cl25 B27 B32 Cl31 -2.5(4) . . . . ?
Cl25 B27 B33 B28 111.0(3) . . . . ?
Cl25 B27 B33 B32 -111.4(3) . . . . ?
Cl25 B27 B33 B34 148.0(2) . . . . ?
Cl25 B27 B33 B36 -148.6(2) . . . . ?
Cl25 B27 B33 Cl30 0.3(4) . . . . ?
Cl26 B26 B27 B25 109.3(3) . . . . ?
Cl26 B26 B27 B28 148.2(2) . . . . ?
Cl26 B26 B27 B32 -110.9(3) . . . . ?
Cl26 B26 B27 B33 -148.3(2) . . . . ?
Cl26 B26 B27 Cl25 -0.1(4) . . . . ?
Cl26 B26 B30 B25 -109.3(3) . . . . ?
Cl26 B26 B30 B29 -148.4(3) . . . . ?
Cl26 B26 B30 B31 111.4(3) . . . . ?
Cl26 B26 B30 B35 148.3(3) . . . . ?
Cl26 B26 B30 Cl27 3.5(4) . . . . ?
Cl26 B26 B31 B30 -110.7(3) . . . . ?
Cl26 B26 B31 B32 110.8(3) . . . . ?
Cl26 B26 B31 B35 -148.0(2) . . . . ?
Cl26 B26 B31 B36 148.1(2) . . . . ?
Cl26 B26 B31 Cl32 0.4(4) . . . . ?
Cl26 B26 B32 B27 110.9(3) . . . . ?
Cl26 B26 B32 B31 -110.9(3) . . . . ?
Cl26 B26 B32 B33 148.3(3) . . . . ?
Cl26 B26 B32 B36 -148.2(3) . . . . ?
Cl26 B26 B32 Cl31 -0.5(4) . . . . ?
Cl27 B30 B31 B26 112.9(3) . . . . ?
Cl27 B30 B31 B32 150.0(2) . . . . ?
Cl27 B30 B31 B35 -108.7(3) . . . . ?
Cl27 B30 B31 B36 -146.1(2) . . . . ?
Cl27 B30 B31 Cl32 0.7(4) . . . . ?
Cl27 B30 B35 B29 -113.2(3) . . . . ?
Cl27 B30 B35 B31 109.0(3) . . . . ?
Cl27 B30 B35 B34 -150.4(2) . . . . ?
Cl27 B30 B35 B36 146.3(2) . . . . ?
Cl27 B30 B35 Cl28 -1.4(4) . . . . ?
Cl28 B35 B36 B31 109.8(3) . . . . ?
Cl28 B35 B36 B32 147.0(3) . . . . ?
Cl28 B35 B36 B33 -149.9(3) . . . . ?
Cl28 B35 B36 B34 -112.0(3) . . . . ?
Cl28 B35 B36 Cl33 -0.4(4) . . . . ?
Cl29 B34 B35 B29 111.2(3) . . . . ?
Cl29 B34 B35 B30 148.1(2) . . . . ?
Cl29 B34 B35 B31 -148.1(2) . . . . ?
Cl29 B34 B35 B36 -110.7(3) . . . . ?
Cl29 B34 B35 Cl28 -0.1(4) . . . . ?
Cl29 B34 B36 B31 148.0(2) . . . . ?
Cl29 B34 B36 B32 -149.1(2) . . . . ?
Cl29 B34 B36 B33 -111.6(3) . . . . ?
Cl29 B34 B36 B35 110.9(3) . . . . ?
Cl29 B34 B36 Cl33 -1.2(4) . . . . ?
Cl30 B33 B34 B28 111.2(3) . . . . ?
Cl30 B33 B34 B29 147.8(2) . . . . ?
Cl30 B33 B34 B35 -149.0(2) . . . . ?
Cl30 B33 B34 B36 -110.9(3) . . . . ?
Cl30 B33 B34 Cl29 -0.6(4) . . . . ?
Cl30 B33 B36 B31 -149.3(2) . . . . ?
Cl30 B33 B36 B32 -112.1(3) . . . . ?
Cl30 B33 B36 B34 110.1(3) . . . . ?
Cl30 B33 B36 B35 147.8(3) . . . . ?
Cl30 B33 B36 Cl33 -2.2(4) . . . . ?
Cl31 B32 B33 B27 110.6(3) . . . . ?
Cl31 B32 B33 B28 148.2(3) . . . . ?
Cl31 B32 B33 B34 -148.5(3) . . . . ?
Cl31 B32 B33 B36 -110.8(3) . . . . ?
Cl31 B32 B33 Cl30 -0.4(4) . . . . ?
Cl31 B32 B36 B31 -109.9(3) . . . . ?
Cl31 B32 B36 B33 112.1(3) . . . . ?
Cl31 B32 B36 B34 149.8(3) . . . . ?
Cl31 B32 B36 B35 -147.1(3) . . . . ?
Cl31 B32 B36 Cl33 1.1(4) . . . . ?
Cl32 B31 B32 B26 112.7(3) . . . . ?
Cl32 B31 B32 B27 150.1(3) . . . . ?
Cl32 B31 B32 B33 -146.3(3) . . . . ?
Cl32 B31 B32 B36 -108.8(3) . . . . ?
Cl32 B31 B32 Cl31 2.8(4) . . . . ?
Cl32 B31 B35 B29 -149.7(2) . . . . ?
Cl32 B31 B35 B30 -112.2(3) . . . . ?
Cl32 B31 B35 B34 146.6(2) . . . . ?
Cl32 B31 B35 B36 109.3(3) . . . . ?
Cl32 B31 B35 Cl28 -2.1(4) . . . . ?
Cl32 B31 B36 B32 111.7(3) . . . . ?
Cl32 B31 B36 B33 149.0(2) . . . . ?
Cl32 B31 B36 B34 -147.6(2) . . . . ?
Cl32 B31 B36 B35 -110.4(3) . . . . ?
Cl32 B31 B36 Cl33 1.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH3CN/diethyl ether'
####################################################################### 
# 
# 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_172pph4
_database_code_depnum_ccdc_archive 'CCDC 1057642'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-05-22
_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         'C8 H17 B12 Cl11 O, 2(C24 H20 P)'
_chemical_formula_sum            'C56 H57 B12 Cl11 O P2'
_chemical_formula_weight         1327.62
_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'
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      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                   12.1721(4)
_cell_length_b                   16.4910(5)
_cell_length_c                   17.4760(5)
_cell_angle_alpha                93.883(2)
_cell_angle_beta                 103.004(3)
_cell_angle_gamma                102.370(3)
_cell_volume                     3313.78(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11614
_cell_measurement_temperature    120
_cell_measurement_theta_max      29.2160
_cell_measurement_theta_min      2.4190
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.5822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.31 (release 14-01-2014 CrysAlis 171.NET) (complied Jan 14 2014 18:38:05) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.016
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29031
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.371
_diffrn_ambient_temperature      120
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -1.00   66.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   57.0000  -30.0000 67

#__ type_ start__ end____ width___ exp.time_
  2 omega   -1.00   82.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   77.0000    0.0000 83

#__ type_ start__ end____ width___ exp.time_
  3 omega   30.00   82.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   77.0000  150.0000 52

#__ type_ start__ end____ width___ exp.time_
  4 omega  -10.00   19.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   77.0000  150.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega  -52.00   32.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367  -57.0000   60.0000 84

#__ type_ start__ end____ width___ exp.time_
  6 omega    2.00   67.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   57.0000 -120.0000 65

#__ type_ start__ end____ width___ exp.time_
  7 omega   -4.00   47.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367   37.0000 -150.0000 51

#__ type_ start__ end____ width___ exp.time_
  8 omega  -36.00   -6.00   1.0000   32.1350
omega____ theta____ kappa____ phi______ frames
    -       15.4367  -57.0000 -180.0000 30
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0535866000
_diffrn_orient_matrix_UB_12      0.0146749000
_diffrn_orient_matrix_UB_13      0.0286011000
_diffrn_orient_matrix_UB_21      -0.0249191000
_diffrn_orient_matrix_UB_22      0.0274784000
_diffrn_orient_matrix_UB_23      0.0198853000
_diffrn_orient_matrix_UB_31      -0.0171858000
_diffrn_orient_matrix_UB_32      -0.0315873000
_diffrn_orient_matrix_UB_33      0.0234064000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10977
_reflns_number_total             12967
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.590
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     827
_refine_ls_number_reflns         12967
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0589
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0724P)²+7.0634P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1537
_refine_ls_wR_factor_ref         0.1605
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The alkoxy group is disordered over two positions on the boron cluster (B1
 and B2 respectrively) in about 70:30 ratio. The atoms O1, Cl1, and B1 of the
 major component were  split. For the minor component the atoms O2 and Cl2
 were modeled with EADB and EADX constraints. In addition both alkyl chains
 show some disorder, whas not been modeled.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{O2, Cl2}
3. Restrained distances
 C49-C50 \\sim C50-C51 \\sim C51-C52 \\sim C52-C53 \\sim C53-C54 \\sim C54-C55
\\sim C55-C56
 with sigma of 0.0001
 C57-C58 \\sim C58-C59 \\sim C59-C60 \\sim C61-C60 \\sim C64-C63 \\sim C61-C62
\\sim C62-C63
 with sigma of 0.0001
4. Uiso/Uaniso restraints and constraints
Uanis(C64) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C64) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C60) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C60) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C60) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O2) = Uanis(Cl2)
5. Rigid body (RIGU) restrains
 C49, C50, C51, C52, C53, C54, C55, C56
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C57, C58, C59, C60, C61, C62, C63
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6. Others
 Sof(B1B)=Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(C59)=
 Sof(H59A)=Sof(H59B)=Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(C61)=Sof(H61A)=Sof(H61B)=
 Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64A)=
 Sof(H64B)=Sof(H64C)=Sof(Cl1)=Sof(O2)=1-FVAR(1)
 Sof(B1A)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(C50)=Sof(H50A)=Sof(H50B)=Sof(C51)=
 Sof(H51A)=Sof(H51B)=Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(C53)=Sof(H53A)=Sof(H53B)=
 Sof(C54)=Sof(H54A)=Sof(H54B)=Sof(C55)=Sof(H55A)=Sof(H55B)=Sof(C56)=Sof(H56A)=
 Sof(H56B)=Sof(H56C)=Sof(Cl2)=Sof(O1)=FVAR(1)
7.a Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,
 H53B), C54(H54A,H54B), C55(H55A,H55B), C57(H57A,H57B), C58(H58A,H58B),
 C59(H59A,H59B), C60(H60A,H60B), C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B)
7.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C2(H2), C3(H3), C4(H4),
 C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24)
7.c Idealised Me refined as rotating group:
 C56(H56A,H56B,H56C), C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_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
B1A B 0.4270(14) 0.2652(9) 0.2040(10) 0.025(3) Uani 0.709(4) 1 d . . P A 1
B1B B 0.424(3) 0.2507(19) 0.203(2) 0.005(5) Uiso 0.291(4) 1 d . . P A 2
B2 B 0.3303(3) 0.3124(2) 0.2412(2) 0.0209(7) Uani 1 1 d . . . A 1
B3 B 0.2747(3) 0.2390(2) 0.1542(2) 0.0196(7) Uani 1 1 d . . . . .
B4 B 0.3444(3) 0.1549(2) 0.1669(2) 0.0197(7) Uani 1 1 d . . . . .
B5 B 0.4433(3) 0.1754(2) 0.2624(2) 0.0186(7) Uani 1 1 d . . . . .
B6 B 0.4337(3) 0.2729(2) 0.3079(2) 0.0186(7) Uani 1 1 d . . . . .
B7 B 0.1920(3) 0.2403(2) 0.2260(2) 0.0201(7) Uani 1 1 d . . . . .
B8 B 0.2018(3) 0.1430(2) 0.17998(19) 0.0187(7) Uani 1 1 d . . . . .
B9 B 0.3053(3) 0.1043(2) 0.2473(2) 0.0180(7) Uani 1 1 d . . . . .
B10 B 0.3599(3) 0.1771(2) 0.33453(19) 0.0172(7) Uani 1 1 d . . . . .
B11 B 0.2903(3) 0.2614(2) 0.3212(2) 0.0191(7) Uani 1 1 d . . . . .
B12 B 0.2113(3) 0.1571(2) 0.2833(2) 0.0178(7) Uani 1 1 d . . . . .
C49 C 0.6301(4) 0.30539(17) 0.1920(3) 0.0440(14) Uani 0.709(4) 1 d D U P A 1
H49A H 0.6521 0.2621 0.1625 0.053 Uiso 0.709(4) 1 calc R . P A 1
H49B H 0.6478 0.2968 0.2474 0.053 Uiso 0.709(4) 1 calc R . P A 1
C50 C 0.69904(18) 0.38944(17) 0.1825(3) 0.0518(15) Uani 0.709(4) 1 d D U P A 1
H50A H 0.6947 0.3926 0.1267 0.062 Uiso 0.709(4) 1 calc R . P A 1
H50B H 0.6643 0.4323 0.2010 0.062 Uiso 0.709(4) 1 calc R . P A 1
C51 C 0.82415(18) 0.40738(17) 0.2266(3) 0.0643(17) Uani 0.709(4) 1 d D U P A 1
H51A H 0.8287 0.4016 0.2820 0.077 Uiso 0.709(4) 1 calc R . P A 1
H51B H 0.8602 0.3664 0.2062 0.077 Uiso 0.709(4) 1 calc R . P A 1
C52 C 0.89012(18) 0.49337(17) 0.2197(4) 0.096(3) Uani 0.709(4) 1 d D U P A 1
H52A H 0.8555 0.5344 0.2416 0.115 Uiso 0.709(4) 1 calc R . P A 1
H52B H 0.8835 0.4998 0.1642 0.115 Uiso 0.709(4) 1 calc R . P A 1
C53 C 1.0161(2) 0.5105(6) 0.26168(14) 0.116(3) Uani 0.709(4) 1 d D U P A 1
H53A H 1.0519 0.5637 0.2472 0.139 Uiso 0.709(4) 1 calc R . P A 1
H53B H 1.0466 0.4687 0.2370 0.139 Uiso 0.709(4) 1 calc R . P A 1
C54 C 1.06527(19) 0.5143(6) 0.34896(15) 0.118(3) Uani 0.709(4) 1 d D U P A 1
H54A H 1.0334 0.5514 0.3785 0.142 Uiso 0.709(4) 1 calc R . P A 1
H54B H 1.0491 0.4592 0.3661 0.142 Uiso 0.709(4) 1 calc R . P A 1
C55 C 1.19317(19) 0.5477(4) 0.35976(16) 0.112(3) Uani 0.709(4) 1 d D U P A 1
H55A H 1.2229 0.5166 0.3233 0.135 Uiso 0.709(4) 1 calc R . P A 1
H55B H 1.2111 0.6065 0.3524 0.135 Uiso 0.709(4) 1 calc R . P A 1
C56 C 1.2415(7) 0.5352(4) 0.44376(16) 0.111(3) Uani 0.709(4) 1 d D U P A 1
H56A H 1.2804 0.4903 0.4444 0.166 Uiso 0.709(4) 1 calc GR . P A 1
H56B H 1.1794 0.5215 0.4697 0.166 Uiso 0.709(4) 1 calc GR . P A 1
H56C H 1.2955 0.5856 0.4709 0.166 Uiso 0.709(4) 1 calc GR . P A 1
C57 C 0.276(2) 0.44953(17) 0.2657(3) 0.103(8) Uani 0.291(4) 1 d D U P A 2
H57A H 0.3014 0.4609 0.3229 0.124 Uiso 0.291(4) 1 calc R . P A 2
H57B H 0.1988 0.4129 0.2505 0.124 Uiso 0.291(4) 1 calc R . P A 2
C58 C 0.2821(18) 0.53110(17) 0.22590(11) 0.086(5) Uani 0.291(4) 1 d D U P A 2
H58A H 0.3596 0.5664 0.2464 0.103 Uiso 0.291(4) 1 calc R . P A 2
H58B H 0.2287 0.5602 0.2428 0.103 Uiso 0.291(4) 1 calc R . P A 2
C59 C 0.2550(12) 0.5234(15) 0.13426(9) 0.095(5) Uani 0.291(4) 1 d D U P A 2
H59A H 0.3250 0.5053 0.1318 0.114 Uiso 0.291(4) 1 calc R . P A 2
H59B H 0.2775 0.5833 0.1331 0.114 Uiso 0.291(4) 1 calc R . P A 2
C60 C 0.2026(2) 0.5043(3) 0.04364(15) 0.074(4) Uani 0.291(4) 1 d D U P A 2
H60A H 0.1931 0.5541 0.0191 0.088 Uiso 0.291(4) 1 calc R . P A 2
H60B H 0.2471 0.4746 0.0172 0.088 Uiso 0.291(4) 1 calc R . P A 2
C61 C 0.08521(18) 0.4475(3) 0.0478(3) 0.091(4) Uani 0.291(4) 1 d D U P A 2
H61A H 0.0883 0.3893 0.0393 0.109 Uiso 0.291(4) 1 calc R . P A 2
H61B H 0.0729 0.4579 0.1001 0.109 Uiso 0.291(4) 1 calc R . P A 2
C62 C -0.01804(18) 0.46323(18) -0.0149(3) 0.101(5) Uani 0.291(4) 1 d D U P A 2
H62A H -0.0663 0.4074 -0.0339 0.122 Uiso 0.291(4) 1 calc R . P A 2
H62B H 0.0165 0.4803 -0.0579 0.122 Uiso 0.291(4) 1 calc R . P A 2
C63 C -0.1076(2) 0.5176(2) -0.01573(14) 0.049(3) Uani 0.291(4) 1 d D U P A 2
H63A H -0.1739 0.4916 0.0035 0.058 Uiso 0.291(4) 1 calc R . P A 2
H63B H -0.0738 0.5742 0.0103 0.058 Uiso 0.291(4) 1 calc R . P A 2
C64 C -0.1322(16) 0.5105(17) -0.10726(14) 0.106(8) Uani 0.291(4) 1 d D U P A 2
H64A H -0.1889 0.5414 -0.1270 0.159 Uiso 0.291(4) 1 calc GR . P A 2
H64B H -0.1612 0.4528 -0.1290 0.159 Uiso 0.291(4) 1 calc GR . P A 2
H64C H -0.0617 0.5330 -0.1224 0.159 Uiso 0.291(4) 1 calc GR . P A 2
Cl1 Cl 0.5273(10) 0.3213(7) 0.1632(7) 0.0347(16) Uani 0.291(4) 1 d . . P A 2
Cl2 Cl 0.34656(9) 0.42059(6) 0.23657(6) 0.0297(3) Uani 0.709(4) 1 d . . P A 1
Cl3 Cl 0.22520(7) 0.26940(6) 0.05801(5) 0.0306(2) Uani 1 1 d . . . . .
Cl4 Cl 0.37278(7) 0.10088(6) 0.08332(5) 0.02913(19) Uani 1 1 d . . . . .
Cl5 Cl 0.57278(7) 0.13653(6) 0.28236(5) 0.0323(2) Uani 1 1 d . . . . .
Cl6 Cl 0.55356(7) 0.34091(5) 0.37923(5) 0.02744(19) Uani 1 1 d . . . . .
Cl7 Cl 0.05943(7) 0.27498(6) 0.20942(5) 0.0313(2) Uani 1 1 d . . . . .
Cl8 Cl 0.08096(6) 0.07276(5) 0.11125(4) 0.02427(18) Uani 1 1 d . . . . .
Cl9 Cl 0.29235(7) -0.00529(5) 0.25406(5) 0.02923(19) Uani 1 1 d . . . . .
Cl10 Cl 0.40568(7) 0.14471(5) 0.43004(4) 0.02564(18) Uani 1 1 d . . . . .
Cl11 Cl 0.26491(7) 0.31952(5) 0.40308(5) 0.02991(19) Uani 1 1 d . . . . .
Cl12 Cl 0.09538(7) 0.10177(5) 0.32189(5) 0.02804(19) Uani 1 1 d . . . . .
O1 O 0.5065(10) 0.2985(7) 0.1640(8) 0.036(3) Uani 0.709(4) 1 d . . P A 1
O2 O 0.34656(9) 0.42059(6) 0.23657(6) 0.0297(3) Uani 0.291(4) 1 d . . P A 2
C25 C 0.8649(3) 0.88757(19) 0.40166(18) 0.0198(6) Uani 1 1 d . . . . .
C26 C 0.8485(3) 0.9118(2) 0.4756(2) 0.0287(7) Uani 1 1 d . . . . .
H26 H 0.8548 0.8766 0.5150 0.034 Uiso 1 1 calc R . . . .
C27 C 0.8229(3) 0.9880(2) 0.4902(2) 0.0320(8) Uani 1 1 d . . . . .
H27 H 0.8123 1.0042 0.5395 0.038 Uiso 1 1 calc R . . . .
C28 C 0.8129(3) 1.0408(2) 0.4315(2) 0.0291(7) Uani 1 1 d . . . . .
H28 H 0.7948 1.0918 0.4416 0.035 Uiso 1 1 calc R . . . .
C29 C 0.8296(3) 1.0177(2) 0.3589(2) 0.0287(7) Uani 1 1 d . . . . .
H29 H 0.8236 1.0535 0.3200 0.034 Uiso 1 1 calc R . . . .
C30 C 0.8555(3) 0.9411(2) 0.3430(2) 0.0248(7) Uani 1 1 d . . . . .
H30 H 0.8666 0.9255 0.2936 0.030 Uiso 1 1 calc R . . . .
C31 C 1.0055(3) 0.76601(19) 0.45623(18) 0.0198(6) Uani 1 1 d . . . . .
C32 C 1.1104(3) 0.7592(2) 0.4407(2) 0.0269(7) Uani 1 1 d . . . . .
H32 H 1.1232 0.7658 0.3908 0.032 Uiso 1 1 calc R . . . .
C33 C 1.1965(3) 0.7422(2) 0.5009(2) 0.0297(7) Uani 1 1 d . . . . .
H33 H 1.2670 0.7378 0.4910 0.036 Uiso 1 1 calc R . . . .
C34 C 1.1777(3) 0.7321(2) 0.5743(2) 0.0292(7) Uani 1 1 d . . . . .
H34 H 1.2355 0.7206 0.6139 0.035 Uiso 1 1 calc R . . . .
C35 C 1.0735(3) 0.7388(2) 0.5901(2) 0.0314(8) Uani 1 1 d . . . . .
H35 H 1.0617 0.7325 0.6404 0.038 Uiso 1 1 calc R . . . .
C36 C 0.9870(3) 0.7548(2) 0.53109(19) 0.0264(7) Uani 1 1 d . . . . .
H36 H 0.9162 0.7582 0.5414 0.032 Uiso 1 1 calc R . . . .
C37 C 0.7620(3) 0.7076(2) 0.38362(18) 0.0235(7) Uani 1 1 d . . . . .
C38 C 0.7694(3) 0.6244(2) 0.3793(2) 0.0338(8) Uani 1 1 d . . . . .
H38 H 0.8386 0.6107 0.3762 0.041 Uiso 1 1 calc R . . . .
C39 C 0.6729(4) 0.5621(2) 0.3798(2) 0.0419(10) Uani 1 1 d . . . . .
H39 H 0.6764 0.5063 0.3747 0.050 Uiso 1 1 calc R . . . .
C40 C 0.5722(3) 0.5827(3) 0.3878(2) 0.0415(10) Uani 1 1 d . . . . .
H40 H 0.5081 0.5407 0.3889 0.050 Uiso 1 1 calc R . . . .
C41 C 0.5656(3) 0.6654(3) 0.3940(2) 0.0361(9) Uani 1 1 d . . . . .
H41 H 0.4976 0.6791 0.4002 0.043 Uiso 1 1 calc R . . . .
C42 C 0.6606(3) 0.7281(2) 0.39106(19) 0.0258(7) Uani 1 1 d . . . . .
H42 H 0.6558 0.7837 0.3941 0.031 Uiso 1 1 calc R . . . .
C43 C 0.9208(3) 0.7758(2) 0.28630(18) 0.0212(6) Uani 1 1 d . . . . .
C44 C 0.8532(3) 0.7118(2) 0.22786(19) 0.0265(7) Uani 1 1 d . . . . .
H44 H 0.7907 0.6742 0.2378 0.032 Uiso 1 1 calc R . . . .
C45 C 0.8794(3) 0.7042(2) 0.1546(2) 0.0327(8) Uani 1 1 d . . . . .
H45 H 0.8345 0.6615 0.1155 0.039 Uiso 1 1 calc R . . . .
C46 C 0.9725(3) 0.7605(2) 0.1400(2) 0.0341(8) Uani 1 1 d . . . . .
H46 H 0.9902 0.7550 0.0911 0.041 Uiso 1 1 calc R . . . .
C47 C 1.0385(3) 0.8243(2) 0.1970(2) 0.0340(8) Uani 1 1 d . . . . .
H47 H 1.1002 0.8621 0.1863 0.041 Uiso 1 1 calc R . . . .
C48 C 1.0139(3) 0.8328(2) 0.27062(19) 0.0261(7) Uani 1 1 d . . . . .
H48 H 1.0590 0.8761 0.3092 0.031 Uiso 1 1 calc R . . . .
P2 P 0.88902(7) 0.78564(5) 0.38145(5) 0.01836(17) Uani 1 1 d . . . . .
C1 C 0.3993(3) 0.1034(2) 0.87566(18) 0.0221(7) Uani 1 1 d . . . . .
C2 C 0.4164(3) 0.0229(2) 0.8807(3) 0.0376(9) Uani 1 1 d . . . . .
H2 H 0.4902 0.0136 0.8859 0.045 Uiso 1 1 calc R . . . .
C3 C 0.3236(3) -0.0428(2) 0.8780(3) 0.0390(9) Uani 1 1 d . . . . .
H3 H 0.3349 -0.0966 0.8807 0.047 Uiso 1 1 calc R . . . .
C4 C 0.2136(3) -0.0293(2) 0.8712(2) 0.0305(8) Uani 1 1 d . . . . .
H4 H 0.1511 -0.0740 0.8684 0.037 Uiso 1 1 calc R . . . .
C5 C 0.1971(3) 0.0505(2) 0.8685(2) 0.0315(8) Uani 1 1 d . . . . .
H5 H 0.1236 0.0597 0.8653 0.038 Uiso 1 1 calc R . . . .
C6 C 0.2895(3) 0.1173(2) 0.8704(2) 0.0279(7) Uani 1 1 d . . . . .
H6 H 0.2779 0.1711 0.8682 0.034 Uiso 1 1 calc R . . . .
C7 C 0.4780(3) 0.2841(2) 0.88282(19) 0.0245(7) Uani 1 1 d . . . . .
C8 C 0.4784(3) 0.3401(2) 0.8263(2) 0.0275(7) Uani 1 1 d . . . . .
H8 H 0.4972 0.3265 0.7791 0.033 Uiso 1 1 calc R . . . .
C9 C 0.4506(3) 0.4163(2) 0.8408(2) 0.0340(8) Uani 1 1 d . . . . .
H9 H 0.4509 0.4538 0.8034 0.041 Uiso 1 1 calc R . . . .
C10 C 0.4224(3) 0.4361(2) 0.9115(2) 0.0348(8) Uani 1 1 d . . . . .
H10 H 0.4029 0.4867 0.9211 0.042 Uiso 1 1 calc R . . . .
C11 C 0.4231(3) 0.3803(2) 0.9681(2) 0.0345(8) Uani 1 1 d . . . . .
H11 H 0.4052 0.3942 1.0155 0.041 Uiso 1 1 calc R . . . .
C12 C 0.4504(3) 0.3047(2) 0.9539(2) 0.0295(7) Uani 1 1 d . . . . .
H12 H 0.4504 0.2675 0.9916 0.035 Uiso 1 1 calc R . . . .
C13 C 0.6534(3) 0.1893(2) 0.93365(18) 0.0234(7) Uani 1 1 d . . . . .
C14 C 0.7101(4) 0.2562(3) 0.9907(2) 0.0400(9) Uani 1 1 d . . . . .
H14 H 0.6742 0.2993 0.9994 0.048 Uiso 1 1 calc R . . . .
C15 C 0.8216(4) 0.2588(3) 1.0351(2) 0.0475(11) Uani 1 1 d . . . . .
H15 H 0.8599 0.3036 1.0738 0.057 Uiso 1 1 calc R . . . .
C16 C 0.8751(3) 0.1962(2) 1.0225(2) 0.0338(8) Uani 1 1 d . . . . .
H16 H 0.9499 0.1990 1.0521 0.041 Uiso 1 1 calc R . . . .
C17 C 0.8187(3) 0.1286(2) 0.9660(2) 0.0299(8) Uani 1 1 d . . . . .
H17 H 0.8548 0.0855 0.9580 0.036 Uiso 1 1 calc R . . . .
C18 C 0.7080(3) 0.1254(2) 0.9211(2) 0.0286(7) Uani 1 1 d . . . . .
H18 H 0.6702 0.0804 0.8825 0.034 Uiso 1 1 calc R . . . .
C19 C 0.5405(3) 0.1713(2) 0.76981(18) 0.0225(7) Uani 1 1 d . . . . .
C20 C 0.6382(3) 0.2223(2) 0.7535(2) 0.0317(8) Uani 1 1 d . . . . .
H20 H 0.6880 0.2638 0.7919 0.038 Uiso 1 1 calc R . . . .
C21 C 0.6599(3) 0.2106(3) 0.6800(2) 0.0379(9) Uani 1 1 d . . . . .
H21 H 0.7245 0.2447 0.6689 0.046 Uiso 1 1 calc R . . . .
C22 C 0.5872(3) 0.1490(3) 0.6230(2) 0.0364(9) Uani 1 1 d . . . . .
H22 H 0.6025 0.1420 0.5735 0.044 Uiso 1 1 calc R . . . .
C23 C 0.4911(3) 0.0974(3) 0.6388(2) 0.0330(8) Uani 1 1 d . . . . .
H23 H 0.4432 0.0550 0.6004 0.040 Uiso 1 1 calc R . . . .
C24 C 0.4665(3) 0.1091(2) 0.71225(19) 0.0266(7) Uani 1 1 d . . . . .
H24 H 0.4010 0.0755 0.7227 0.032 Uiso 1 1 calc R . . . .
P1 P 0.51616(7) 0.18649(5) 0.86701(5) 0.02100(18) Uani 1 1 d . . . . .


_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
B1A B2 1.756(17) . ?
B1A B3 1.806(17) . ?
B1A B4 1.872(15) . ?
B1A B5 1.872(15) . ?
B1A B6 1.792(17) . ?
B1A O1 1.363(19) . ?
B1B B3 1.78(4) . ?
B1B B4 1.66(3) . ?
B1B B5 1.69(3) . ?
B1B B6 1.81(3) . ?
B1B Cl1 1.82(3) . ?
B2 B3 1.780(5) . ?
B2 B6 1.777(5) . ?
B2 B7 1.793(5) . ?
B2 B11 1.785(5) . ?
B2 Cl2 1.763(4) . ?
B2 O2 1.763(4) . ?
B3 B4 1.776(5) . ?
B3 B7 1.779(5) . ?
B3 B8 1.781(5) . ?
B3 Cl3 1.797(3) . ?
B4 B5 1.787(5) . ?
B4 B8 1.772(5) . ?
B4 B9 1.785(5) . ?
B4 Cl4 1.797(4) . ?
B5 B6 1.783(5) . ?
B5 B9 1.784(5) . ?
B5 B10 1.790(5) . ?
B5 Cl5 1.799(3) . ?
B6 B10 1.789(5) . ?
B6 B11 1.785(5) . ?
B6 Cl6 1.798(3) . ?
B7 B8 1.786(5) . ?
B7 B11 1.780(5) . ?
B7 B12 1.778(5) . ?
B7 Cl7 1.795(4) . ?
B8 B9 1.777(5) . ?
B8 B12 1.780(5) . ?
B8 Cl8 1.799(3) . ?
B9 B10 1.778(5) . ?
B9 B12 1.772(5) . ?
B9 Cl9 1.794(4) . ?
B10 B11 1.779(5) . ?
B10 B12 1.778(5) . ?
B10 Cl10 1.792(3) . ?
B11 B12 1.782(5) . ?
B11 Cl11 1.789(4) . ?
B12 Cl12 1.799(3) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 C50 1.4996(17) . ?
C49 O1 1.450(13) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.4996(17) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.4996(17) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.4996(17) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C54 1.4996(17) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 C55 1.4996(17) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C55 C56 1.4996(17) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.5511(17) . ?
C57 O2 1.25(2) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 C59 1.5511(17) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.5511(17) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 C61 1.5511(17) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.5511(17) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C62 C63 1.5511(17) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 C64 1.5511(17) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C25 C26 1.396(5) . ?
C25 C30 1.399(4) . ?
C25 P2 1.793(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.380(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.390(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.372(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.392(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.390(5) . ?
C31 C36 1.394(4) . ?
C31 P2 1.801(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.397(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.368(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.382(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.383(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.392(5) . ?
C37 C42 1.378(5) . ?
C37 P2 1.797(3) . ?
C38 H38 0.9300 . ?
C38 C39 1.387(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.373(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.382(6) . ?
C41 H41 0.9300 . ?
C41 C42 1.390(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.392(4) . ?
C43 C48 1.402(4) . ?
C43 P2 1.794(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.391(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.387(5) . ?
C46 H46 0.9300 . ?
C46 C47 1.372(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.390(5) . ?
C48 H48 0.9300 . ?
C1 C2 1.392(5) . ?
C1 C6 1.388(5) . ?
C1 P1 1.793(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.377(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.375(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(5) . ?
C7 C12 1.397(5) . ?
C7 P1 1.790(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.392(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.396(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.380(5) . ?
C13 C18 1.391(5) . ?
C13 P1 1.798(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.364(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.386(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.400(5) . ?
C19 C24 1.390(5) . ?
C19 P1 1.799(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.374(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.385(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.393(5) . ?
C24 H24 0.9300 . ?

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 B1A B3 60.0(6) . . ?
B2 B1A B4 105.1(8) . . ?
B2 B1A B5 105.5(8) . . ?
B2 B1A B6 60.1(6) . . ?
B3 B1A B4 57.7(5) . . ?
B3 B1A B5 103.3(7) . . ?
B4 B1A B5 57.0(4) . . ?
B6 B1A B3 106.0(8) . . ?
B6 B1A B4 103.5(7) . . ?
B6 B1A B5 58.2(5) . . ?
O1 B1A B2 128.9(11) . . ?
O1 B1A B3 119.3(13) . . ?
O1 B1A B4 115.6(11) . . ?
O1 B1A B5 122.0(12) . . ?
O1 B1A B6 130.9(12) . . ?
B3 B1B B6 106.1(16) . . ?
B3 B1B Cl1 115.4(19) . . ?
B4 B1B B3 61.9(12) . . ?
B4 B1B B5 64.4(11) . . ?
B4 B1B B6 111.7(18) . . ?
B4 B1B Cl1 130(2) . . ?
B5 B1B B3 112.3(18) . . ?
B5 B1B B6 61.1(12) . . ?
B5 B1B Cl1 130(2) . . ?
B6 B1B Cl1 116.1(19) . . ?
B1A B2 B3 61.4(6) . . ?
B1A B2 B6 61.0(6) . . ?
B1A B2 B7 110.6(5) . . ?
B1A B2 B11 110.6(5) . . ?
B1A B2 Cl2 116.8(5) . . ?
B3 B2 B7 59.70(19) . . ?
B3 B2 B11 107.5(2) . . ?
B6 B2 B3 107.8(3) . . ?
B6 B2 B7 107.8(2) . . ?
B6 B2 B11 60.13(19) . . ?
B11 B2 B7 59.66(19) . . ?
Cl2 B2 B3 121.2(2) . . ?
Cl2 B2 B6 121.4(2) . . ?
Cl2 B2 B7 123.2(2) . . ?
Cl2 B2 B11 123.4(2) . . ?
O2 B2 B3 121.2(2) . . ?
O2 B2 B6 121.4(2) . . ?
O2 B2 B7 123.2(2) . . ?
O2 B2 B11 123.4(2) . . ?
B1B B3 Cl3 124.4(11) . . ?
B2 B3 B1A 58.6(5) . . ?
B2 B3 B8 108.6(2) . . ?
B2 B3 Cl3 122.7(2) . . ?
B4 B3 B1A 63.0(5) . . ?
B4 B3 B1B 55.7(10) . . ?
B4 B3 B2 108.2(2) . . ?
B4 B3 B7 108.1(2) . . ?
B4 B3 B8 59.74(19) . . ?
B4 B3 Cl3 121.4(2) . . ?
B7 B3 B1A 109.0(6) . . ?
B7 B3 B1B 109.3(11) . . ?
B7 B3 B2 60.5(2) . . ?
B7 B3 B8 60.2(2) . . ?
B7 B3 Cl3 120.7(2) . . ?
B8 B3 B1A 111.1(5) . . ?
B8 B3 B1B 104.6(10) . . ?
B8 B3 Cl3 119.9(2) . . ?
Cl3 B3 B1A 121.0(5) . . ?
B1B B4 B3 62.4(12) . . ?
B1B B4 B5 58.5(12) . . ?
B1B B4 B8 110.4(11) . . ?
B1B B4 B9 107.7(12) . . ?
B1B B4 Cl4 119.5(11) . . ?
B3 B4 B1A 59.3(5) . . ?
B3 B4 B5 108.1(2) . . ?
B3 B4 B9 107.9(2) . . ?
B3 B4 Cl4 120.3(2) . . ?
B5 B4 B1A 61.5(5) . . ?
B5 B4 Cl4 122.4(2) . . ?
B8 B4 B1A 108.5(6) . . ?
B8 B4 B3 60.26(19) . . ?
B8 B4 B5 108.2(2) . . ?
B8 B4 B9 59.94(19) . . ?
B8 B4 Cl4 121.6(2) . . ?
B9 B4 B1A 109.3(5) . . ?
B9 B4 B5 59.91(19) . . ?
B9 B4 Cl4 123.4(2) . . ?
Cl4 B4 B1A 119.6(5) . . ?
B1B B5 B4 57.1(12) . . ?
B1B B5 B6 62.9(11) . . ?
B1B B5 B9 106.6(12) . . ?
B1B B5 B10 109.9(11) . . ?
B1B B5 Cl5 123.5(11) . . ?
B4 B5 B1A 61.5(5) . . ?
B4 B5 B10 107.6(2) . . ?
B4 B5 Cl5 121.8(2) . . ?
B6 B5 B1A 58.7(5) . . ?
B6 B5 B4 107.4(2) . . ?
B6 B5 B9 107.7(2) . . ?
B6 B5 B10 60.09(19) . . ?
B6 B5 Cl5 123.5(2) . . ?
B9 B5 B1A 109.3(5) . . ?
B9 B5 B4 60.01(19) . . ?
B9 B5 B10 59.68(18) . . ?
B9 B5 Cl5 119.5(2) . . ?
B10 B5 B1A 107.8(6) . . ?
B10 B5 Cl5 120.6(2) . . ?
Cl5 B5 B1A 123.2(5) . . ?
B1A B6 Cl6 121.8(5) . . ?
B2 B6 B1A 58.9(6) . . ?
B2 B6 B5 108.4(2) . . ?
B2 B6 B10 108.1(2) . . ?
B2 B6 B11 60.18(19) . . ?
B2 B6 Cl6 122.0(2) . . ?
B5 B6 B1A 63.2(5) . . ?
B5 B6 B1B 56.1(10) . . ?
B5 B6 B10 60.14(19) . . ?
B5 B6 B11 108.0(2) . . ?
B5 B6 Cl6 122.6(2) . . ?
B10 B6 B1A 111.4(5) . . ?
B10 B6 B1B 104.6(10) . . ?
B10 B6 Cl6 119.7(2) . . ?
B11 B6 B1A 109.0(6) . . ?
B11 B6 B1B 108.3(11) . . ?
B11 B6 B10 59.72(19) . . ?
B11 B6 Cl6 119.5(2) . . ?
Cl6 B6 B1B 126.2(11) . . ?
B2 B7 Cl7 121.7(2) . . ?
B3 B7 B2 59.8(2) . . ?
B3 B7 B8 60.0(2) . . ?
B3 B7 B11 107.8(2) . . ?
B3 B7 Cl7 123.1(2) . . ?
B8 B7 B2 107.8(2) . . ?
B8 B7 Cl7 122.7(2) . . ?
B11 B7 B2 59.96(19) . . ?
B11 B7 B8 108.0(2) . . ?
B11 B7 Cl7 120.4(2) . . ?
B12 B7 B2 108.0(2) . . ?
B12 B7 B3 107.9(2) . . ?
B12 B7 B8 59.91(19) . . ?
B12 B7 B11 60.12(19) . . ?
B12 B7 Cl7 121.0(2) . . ?
B3 B8 B7 59.8(2) . . ?
B3 B8 Cl8 122.0(2) . . ?
B4 B8 B3 60.0(2) . . ?
B4 B8 B7 108.0(2) . . ?
B4 B8 B9 60.41(19) . . ?
B4 B8 B12 108.1(2) . . ?
B4 B8 Cl8 120.6(2) . . ?
B7 B8 Cl8 122.9(2) . . ?
B9 B8 B3 108.1(2) . . ?
B9 B8 B7 107.7(2) . . ?
B9 B8 B12 59.78(19) . . ?
B9 B8 Cl8 121.0(2) . . ?
B12 B8 B3 107.7(2) . . ?
B12 B8 B7 59.81(19) . . ?
B12 B8 Cl8 122.4(2) . . ?
B4 B9 Cl9 123.7(2) . . ?
B5 B9 B4 60.09(19) . . ?
B5 B9 Cl9 121.6(2) . . ?
B8 B9 B4 59.66(19) . . ?
B8 B9 B5 108.1(2) . . ?
B8 B9 B10 108.3(2) . . ?
B8 B9 Cl9 122.6(2) . . ?
B10 B9 B4 108.2(2) . . ?
B10 B9 B5 60.33(19) . . ?
B10 B9 Cl9 119.8(2) . . ?
B12 B9 B4 107.8(2) . . ?
B12 B9 B5 108.4(2) . . ?
B12 B9 B8 60.19(19) . . ?
B12 B9 B10 60.09(19) . . ?
B12 B9 Cl9 120.4(2) . . ?
B5 B10 Cl10 121.4(2) . . ?
B6 B10 B5 59.77(19) . . ?
B6 B10 Cl10 121.7(2) . . ?
B9 B10 B5 59.99(19) . . ?
B9 B10 B6 107.7(2) . . ?
B9 B10 B11 107.9(2) . . ?
B9 B10 Cl10 121.9(2) . . ?
B11 B10 B5 108.0(2) . . ?
B11 B10 B6 60.02(19) . . ?
B11 B10 Cl10 121.9(2) . . ?
B12 B10 B5 107.9(2) . . ?
B12 B10 B6 107.9(2) . . ?
B12 B10 B9 59.79(19) . . ?
B12 B10 B11 60.14(19) . . ?
B12 B10 Cl10 122.2(2) . . ?
B2 B11 Cl11 120.8(2) . . ?
B6 B11 B2 59.69(19) . . ?
B6 B11 Cl11 120.5(2) . . ?
B7 B11 B2 60.38(19) . . ?
B7 B11 B6 108.0(2) . . ?
B7 B11 B12 59.88(19) . . ?
B7 B11 Cl11 122.5(2) . . ?
B10 B11 B2 108.2(2) . . ?
B10 B11 B6 60.26(19) . . ?
B10 B11 B7 108.1(2) . . ?
B10 B11 B12 59.89(19) . . ?
B10 B11 Cl11 121.5(2) . . ?
B12 B11 B2 108.1(2) . . ?
B12 B11 B6 107.9(2) . . ?
B12 B11 Cl11 123.1(2) . . ?
B7 B12 B8 60.3(2) . . ?
B7 B12 B10 108.2(2) . . ?
B7 B12 B11 60.01(19) . . ?
B7 B12 Cl12 120.7(2) . . ?
B8 B12 B11 108.2(2) . . ?
B8 B12 Cl12 119.8(2) . . ?
B9 B12 B7 108.3(2) . . ?
B9 B12 B8 60.03(19) . . ?
B9 B12 B10 60.12(19) . . ?
B9 B12 B11 108.0(2) . . ?
B9 B12 Cl12 121.3(2) . . ?
B10 B12 B8 108.2(2) . . ?
B10 B12 B11 59.97(19) . . ?
B10 B12 Cl12 123.1(2) . . ?
B11 B12 Cl12 123.0(2) . . ?
H49A C49 H49B 108.0 . . ?
C50 C49 H49A 109.4 . . ?
C50 C49 H49B 109.4 . . ?
O1 C49 H49A 109.4 . . ?
O1 C49 H49B 109.4 . . ?
O1 C49 C50 111.3(5) . . ?
C49 C50 H50A 108.9 . . ?
C49 C50 H50B 108.9 . . ?
H50A C50 H50B 107.7 . . ?
C51 C50 C49 113.5(3) . . ?
C51 C50 H50A 108.9 . . ?
C51 C50 H50B 108.9 . . ?
C50 C51 H51A 109.1 . . ?
C50 C51 H51B 109.1 . . ?
H51A C51 H51B 107.8 . . ?
C52 C51 C50 112.7(3) . . ?
C52 C51 H51A 109.1 . . ?
C52 C51 H51B 109.1 . . ?
C51 C52 H52A 109.0 . . ?
C51 C52 H52B 109.0 . . ?
C51 C52 C53 112.7(4) . . ?
H52A C52 H52B 107.8 . . ?
C53 C52 H52A 109.0 . . ?
C53 C52 H52B 109.0 . . ?
C52 C53 H53A 105.7 . . ?
C52 C53 H53B 105.7 . . ?
C52 C53 C54 126.6(3) . . ?
H53A C53 H53B 106.1 . . ?
C54 C53 H53A 105.7 . . ?
C54 C53 H53B 105.7 . . ?
C53 C54 H54A 110.9 . . ?
C53 C54 H54B 110.9 . . ?
H54A C54 H54B 109.0 . . ?
C55 C54 C53 104.1(3) . . ?
C55 C54 H54A 110.9 . . ?
C55 C54 H54B 110.9 . . ?
C54 C55 H55A 111.3 . . ?
C54 C55 H55B 111.3 . . ?
H55A C55 H55B 109.2 . . ?
C56 C55 C54 102.5(4) . . ?
C56 C55 H55A 111.3 . . ?
C56 C55 H55B 111.3 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
H57A C57 H57B 109.7 . . ?
C58 C57 H57A 112.0 . . ?
C58 C57 H57B 112.0 . . ?
O2 C57 H57A 112.0 . . ?
O2 C57 H57B 112.0 . . ?
O2 C57 C58 98.8(13) . . ?
C57 C58 H58A 107.8 . . ?
C57 C58 H58B 107.8 . . ?
C57 C58 C59 118.0(9) . . ?
H58A C58 H58B 107.1 . . ?
C59 C58 H58A 107.8 . . ?
C59 C58 H58B 107.8 . . ?
C58 C59 H59A 93.8 . . ?
C58 C59 H59B 93.8 . . ?
C58 C59 C60 167.8(13) . . ?
H59A C59 H59B 103.1 . . ?
C60 C59 H59A 93.8 . . ?
C60 C59 H59B 93.8 . . ?
C59 C60 H60A 112.5 . . ?
C59 C60 H60B 112.5 . . ?
H60A C60 H60B 110.0 . . ?
C61 C60 C59 96.5(6) . . ?
C61 C60 H60A 112.5 . . ?
C61 C60 H60B 112.5 . . ?
C60 C61 H61A 109.2 . . ?
C60 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C62 C61 C60 111.9(3) . . ?
C62 C61 H61A 109.2 . . ?
C62 C61 H61B 109.2 . . ?
C61 C62 H62A 103.3 . . ?
C61 C62 H62B 103.3 . . ?
C61 C62 C63 135.5(4) . . ?
H62A C62 H62B 105.2 . . ?
C63 C62 H62A 103.3 . . ?
C63 C62 H62B 103.3 . . ?
C62 C63 H63A 113.7 . . ?
C62 C63 H63B 113.7 . . ?
H63A C63 H63B 111.0 . . ?
C64 C63 C62 89.5(8) . . ?
C64 C63 H63A 113.7 . . ?
C64 C63 H63B 113.7 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
B1A O1 C49 123.6(12) . . ?
C26 C25 C30 119.6(3) . . ?
C26 C25 P2 119.4(2) . . ?
C30 C25 P2 120.9(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.8(3) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 H30 120.2 . . ?
C29 C30 C25 119.6(3) . . ?
C29 C30 H30 120.2 . . ?
C32 C31 C36 119.7(3) . . ?
C32 C31 P2 122.1(2) . . ?
C36 C31 P2 118.2(2) . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.4(3) . . ?
C33 C32 H32 120.3 . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(3) . . ?
C34 C33 H33 119.8 . . ?
C33 C34 H34 119.7 . . ?
C33 C34 C35 120.5(3) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.8(3) . . ?
C36 C35 H35 120.1 . . ?
C31 C36 H36 119.9 . . ?
C35 C36 C31 120.2(3) . . ?
C35 C36 H36 119.9 . . ?
C38 C37 P2 117.7(3) . . ?
C42 C37 C38 120.1(3) . . ?
C42 C37 P2 122.1(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.6(4) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(4) . . ?
C40 C39 H39 119.9 . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.3(3) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 119.9(4) . . ?
C42 C41 H41 120.0 . . ?
C37 C42 C41 119.8(3) . . ?
C37 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C48 119.8(3) . . ?
C44 C43 P2 120.3(2) . . ?
C48 C43 P2 119.9(2) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.8(3) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 119.9(3) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.5(3) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.5(3) . . ?
C48 C47 H47 119.8 . . ?
C43 C48 H48 120.2 . . ?
C47 C48 C43 119.5(3) . . ?
C47 C48 H48 120.2 . . ?
C25 P2 C31 111.77(14) . . ?
C25 P2 C37 109.34(15) . . ?
C25 P2 C43 109.45(15) . . ?
C37 P2 C31 105.86(14) . . ?
C43 P2 C31 109.95(15) . . ?
C43 P2 C37 110.42(15) . . ?
C2 C1 P1 119.7(3) . . ?
C6 C1 C2 119.8(3) . . ?
C6 C1 P1 120.3(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(4) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.7(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 C12 120.2(3) . . ?
C8 C7 P1 121.0(3) . . ?
C12 C7 P1 118.8(3) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 120.2 . . ?
C8 C9 C10 119.6(3) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.3(4) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 H12 120.1 . . ?
C11 C12 C7 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C18 119.7(3) . . ?
C14 C13 P1 122.0(3) . . ?
C18 C13 P1 117.9(3) . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.4(4) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(4) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.3(3) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C20 C19 P1 118.5(3) . . ?
C24 C19 C20 120.0(3) . . ?
C24 C19 P1 121.4(2) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.9(3) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 C23 119.5(3) . . ?
C19 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C1 P1 C13 114.45(15) . . ?
C1 P1 C19 108.68(15) . . ?
C7 P1 C1 108.85(15) . . ?
C7 P1 C13 109.27(16) . . ?
C7 P1 C19 110.83(15) . . ?
C13 P1 C19 104.71(15) . . ?

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
B1A B2 B3 B4 40.6(6) . . . . ?
B1A B2 B3 B7 141.5(6) . . . . ?
B1A B2 B3 B8 103.9(6) . . . . ?
B1A B2 B3 Cl3 -109.0(6) . . . . ?
B1A B2 B6 B5 -40.8(6) . . . . ?
B1A B2 B6 B10 -104.5(6) . . . . ?
B1A B2 B6 B11 -141.5(6) . . . . ?
B1A B2 B6 Cl6 110.4(6) . . . . ?
B1A B2 B7 B3 -35.7(6) . . . . ?
B1A B2 B7 B8 1.6(6) . . . . ?
B1A B2 B7 B11 102.4(6) . . . . ?
B1A B2 B7 B12 64.9(6) . . . . ?
B1A B2 B7 Cl7 -148.3(6) . . . . ?
B1A B2 B11 B6 35.6(6) . . . . ?
B1A B2 B11 B7 -102.5(6) . . . . ?
B1A B2 B11 B10 -1.6(6) . . . . ?
B1A B2 B11 B12 -65.0(6) . . . . ?
B1A B2 B11 Cl11 145.2(6) . . . . ?
B1A B3 B4 B5 38.8(6) . . . . ?
B1A B3 B4 B8 139.9(6) . . . . ?
B1A B3 B4 B9 102.2(6) . . . . ?
B1A B3 B4 Cl4 -108.6(6) . . . . ?
B1A B3 B7 B2 34.2(5) . . . . ?
B1A B3 B7 B8 -104.0(5) . . . . ?
B1A B3 B7 B11 -3.1(6) . . . . ?
B1A B3 B7 B12 -66.6(5) . . . . ?
B1A B3 B7 Cl7 144.5(5) . . . . ?
B1A B3 B8 B4 -38.0(6) . . . . ?
B1A B3 B8 B7 100.4(6) . . . . ?
B1A B3 B8 B9 0.0(7) . . . . ?
B1A B3 B8 B12 63.1(6) . . . . ?
B1A B3 B8 Cl8 -147.4(6) . . . . ?
B1A B4 B5 B6 37.7(6) . . . . ?
B1A B4 B5 B9 138.5(6) . . . . ?
B1A B4 B5 B10 101.1(6) . . . . ?
B1A B4 B5 Cl5 -113.4(6) . . . . ?
B1A B4 B8 B3 35.7(6) . . . . ?
B1A B4 B8 B7 -1.4(6) . . . . ?
B1A B4 B8 B9 -102.0(6) . . . . ?
B1A B4 B8 B12 -64.6(6) . . . . ?
B1A B4 B8 Cl8 147.4(6) . . . . ?
B1A B4 B9 B5 -38.1(6) . . . . ?
B1A B4 B9 B8 100.7(6) . . . . ?
B1A B4 B9 B10 -0.3(6) . . . . ?
B1A B4 B9 B12 63.2(6) . . . . ?
B1A B4 B9 Cl9 -148.2(6) . . . . ?
B1A B5 B6 B2 38.9(6) . . . . ?
B1A B5 B6 B10 139.7(6) . . . . ?
B1A B5 B6 B11 102.6(6) . . . . ?
B1A B5 B6 Cl6 -112.2(6) . . . . ?
B1A B5 B9 B4 38.1(6) . . . . ?
B1A B5 B9 B8 1.4(6) . . . . ?
B1A B5 B9 B10 -99.8(6) . . . . ?
B1A B5 B9 B12 -62.3(6) . . . . ?
B1A B5 B9 Cl9 151.6(6) . . . . ?
B1A B5 B10 B6 -35.5(6) . . . . ?
B1A B5 B10 B9 102.4(6) . . . . ?
B1A B5 B10 B11 1.7(6) . . . . ?
B1A B5 B10 B12 65.2(6) . . . . ?
B1A B5 B10 Cl10 -146.3(6) . . . . ?
B1A B6 B10 B5 38.3(6) . . . . ?
B1A B6 B10 B9 0.8(7) . . . . ?
B1A B6 B10 B11 -100.1(6) . . . . ?
B1A B6 B10 B12 -62.3(6) . . . . ?
B1A B6 B10 Cl10 148.8(6) . . . . ?
B1A B6 B11 B2 -34.3(5) . . . . ?
B1A B6 B11 B7 3.3(6) . . . . ?
B1A B6 B11 B10 104.3(5) . . . . ?
B1A B6 B11 B12 66.6(5) . . . . ?
B1A B6 B11 Cl11 -144.5(5) . . . . ?
B1B B3 B4 B5 37.7(13) . . . . ?
B1B B3 B4 B8 138.8(13) . . . . ?
B1B B3 B4 B9 101.1(13) . . . . ?
B1B B3 B4 Cl4 -109.8(13) . . . . ?
B1B B3 B7 B8 -96.2(11) . . . . ?
B1B B3 B7 B11 4.7(11) . . . . ?
B1B B3 B7 B12 -58.8(11) . . . . ?
B1B B3 B7 Cl7 152.3(11) . . . . ?
B1B B3 B8 B4 -34.2(11) . . . . ?
B1B B3 B8 B7 104.1(11) . . . . ?
B1B B3 B8 B9 3.7(11) . . . . ?
B1B B3 B8 B12 66.9(11) . . . . ?
B1B B3 B8 Cl8 -143.6(11) . . . . ?
B1B B4 B5 B6 39.3(13) . . . . ?
B1B B4 B5 B9 140.1(13) . . . . ?
B1B B4 B5 B10 102.7(13) . . . . ?
B1B B4 B5 Cl5 -111.8(13) . . . . ?
B1B B4 B8 B3 38.6(13) . . . . ?
B1B B4 B8 B7 1.4(13) . . . . ?
B1B B4 B8 B9 -99.2(13) . . . . ?
B1B B4 B8 B12 -61.8(13) . . . . ?
B1B B4 B8 Cl8 150.2(13) . . . . ?
B1B B4 B9 B5 -35.1(12) . . . . ?
B1B B4 B9 B8 103.8(12) . . . . ?
B1B B4 B9 B10 2.7(12) . . . . ?
B1B B4 B9 B12 66.3(12) . . . . ?
B1B B4 B9 Cl9 -145.2(12) . . . . ?
B1B B5 B6 B10 137.4(13) . . . . ?
B1B B5 B6 B11 100.3(13) . . . . ?
B1B B5 B6 Cl6 -114.5(13) . . . . ?
B1B B5 B9 B4 34.2(11) . . . . ?
B1B B5 B9 B8 -2.5(12) . . . . ?
B1B B5 B9 B10 -103.7(11) . . . . ?
B1B B5 B9 B12 -66.2(12) . . . . ?
B1B B5 B9 Cl9 147.6(11) . . . . ?
B1B B5 B10 B6 -39.9(13) . . . . ?
B1B B5 B10 B9 98.1(13) . . . . ?
B1B B5 B10 B11 -2.7(13) . . . . ?
B1B B5 B10 B12 60.9(13) . . . . ?
B1B B5 B10 Cl10 -150.7(13) . . . . ?
B1B B6 B10 B5 35.5(11) . . . . ?
B1B B6 B10 B9 -2.0(11) . . . . ?
B1B B6 B10 B11 -102.9(11) . . . . ?
B1B B6 B10 B12 -65.1(11) . . . . ?
B1B B6 B10 Cl10 146.0(11) . . . . ?
B1B B6 B11 B7 -4.4(11) . . . . ?
B1B B6 B11 B10 96.5(11) . . . . ?
B1B B6 B11 B12 58.9(11) . . . . ?
B1B B6 B11 Cl11 -152.2(10) . . . . ?
B2 B1A B3 B4 -136.1(5) . . . . ?
B2 B1A B3 B7 -35.0(5) . . . . ?
B2 B1A B3 B8 -99.5(4) . . . . ?
B2 B1A B3 Cl3 111.8(5) . . . . ?
B2 B1A B4 B3 38.4(5) . . . . ?
B2 B1A B4 B5 -98.9(8) . . . . ?
B2 B1A B4 B8 2.3(9) . . . . ?
B2 B1A B4 B9 -61.4(8) . . . . ?
B2 B1A B4 Cl4 148.1(5) . . . . ?
B2 B1A B5 B4 98.2(8) . . . . ?
B2 B1A B5 B6 -38.7(5) . . . . ?
B2 B1A B5 B9 60.7(8) . . . . ?
B2 B1A B5 B10 -2.6(9) . . . . ?
B2 B1A B5 Cl5 -150.7(5) . . . . ?
B2 B1A B6 B5 135.9(5) . . . . ?
B2 B1A B6 B10 98.9(4) . . . . ?
B2 B1A B6 B11 34.8(4) . . . . ?
B2 B1A B6 Cl6 -110.7(5) . . . . ?
B2 B1A O1 C49 120.0(15) . . . . ?
B2 B3 B4 B1A -38.5(6) . . . . ?
B2 B3 B4 B5 0.3(3) . . . . ?
B2 B3 B4 B8 101.4(3) . . . . ?
B2 B3 B4 B9 63.7(3) . . . . ?
B2 B3 B4 Cl4 -147.2(2) . . . . ?
B2 B3 B7 B8 -138.2(2) . . . . ?
B2 B3 B7 B11 -37.3(2) . . . . ?
B2 B3 B7 B12 -100.8(3) . . . . ?
B2 B3 B7 Cl7 110.3(3) . . . . ?
B2 B3 B8 B4 -100.6(3) . . . . ?
B2 B3 B8 B7 37.8(2) . . . . ?
B2 B3 B8 B9 -62.7(3) . . . . ?
B2 B3 B8 B12 0.5(3) . . . . ?
B2 B3 B8 Cl8 150.0(2) . . . . ?
B2 B6 B10 B5 101.3(3) . . . . ?
B2 B6 B10 B9 63.8(3) . . . . ?
B2 B6 B10 B11 -37.1(2) . . . . ?
B2 B6 B10 B12 0.6(3) . . . . ?
B2 B6 B10 Cl10 -148.3(2) . . . . ?
B2 B6 B11 B7 37.7(2) . . . . ?
B2 B6 B11 B10 138.6(2) . . . . ?
B2 B6 B11 B12 100.9(3) . . . . ?
B2 B6 B11 Cl11 -110.1(3) . . . . ?
B2 B7 B8 B3 -37.2(2) . . . . ?
B2 B7 B8 B4 0.0(3) . . . . ?
B2 B7 B8 B9 63.8(3) . . . . ?
B2 B7 B8 B12 100.9(2) . . . . ?
B2 B7 B8 Cl8 -147.9(2) . . . . ?
B2 B7 B11 B6 -37.4(2) . . . . ?
B2 B7 B11 B10 -101.1(3) . . . . ?
B2 B7 B11 B12 -138.0(3) . . . . ?
B2 B7 B11 Cl11 109.7(3) . . . . ?
B2 B7 B12 B8 -100.6(3) . . . . ?
B2 B7 B12 B9 -63.2(3) . . . . ?
B2 B7 B12 B10 0.5(3) . . . . ?
B2 B7 B12 B11 37.5(2) . . . . ?
B2 B7 B12 Cl12 150.3(2) . . . . ?
B2 B11 B12 B7 -37.7(2) . . . . ?
B2 B11 B12 B8 -0.1(3) . . . . ?
B2 B11 B12 B9 63.5(3) . . . . ?
B2 B11 B12 B10 100.9(3) . . . . ?
B2 B11 B12 Cl12 -146.9(2) . . . . ?
B3 B1A B2 B6 134.5(5) . . . . ?
B3 B1A B2 B7 35.1(5) . . . . ?
B3 B1A B2 B11 99.3(4) . . . . ?
B3 B1A B2 Cl2 -112.7(4) . . . . ?
B3 B1A B4 B5 -137.3(6) . . . . ?
B3 B1A B4 B8 -36.1(5) . . . . ?
B3 B1A B4 B9 -99.9(4) . . . . ?
B3 B1A B4 Cl4 109.6(4) . . . . ?
B3 B1A B5 B4 36.1(5) . . . . ?
B3 B1A B5 B6 -100.8(8) . . . . ?
B3 B1A B5 B9 -1.4(9) . . . . ?
B3 B1A B5 B10 -64.7(8) . . . . ?
B3 B1A B5 Cl5 147.2(5) . . . . ?
B3 B1A B6 B2 -40.0(5) . . . . ?
B3 B1A B6 B5 96.0(7) . . . . ?
B3 B1A B6 B10 58.9(8) . . . . ?
B3 B1A B6 B11 -5.1(8) . . . . ?
B3 B1A B6 Cl6 -150.7(4) . . . . ?
B3 B1A O1 C49 -166.6(9) . . . . ?
B3 B1B B4 B5 -137.1(12) . . . . ?
B3 B1B B4 B8 -37.6(10) . . . . ?
B3 B1B B4 B9 -101.4(7) . . . . ?
B3 B1B B4 Cl4 110.9(7) . . . . ?
B3 B1B B5 B4 40.5(12) . . . . ?
B3 B1B B5 B6 -96.7(17) . . . . ?
B3 B1B B5 B9 5.1(19) . . . . ?
B3 B1B B5 B10 -58.0(18) . . . . ?
B3 B1B B5 Cl5 149.4(10) . . . . ?
B3 B1B B6 B5 106.9(17) . . . . ?
B3 B1B B6 B10 69.6(14) . . . . ?
B3 B1B B6 B11 7.1(17) . . . . ?
B3 B1B B6 Cl6 -144.9(9) . . . . ?
B3 B2 B6 B1A 41.2(6) . . . . ?
B3 B2 B6 B5 0.3(3) . . . . ?
B3 B2 B6 B10 -63.4(3) . . . . ?
B3 B2 B6 B11 -100.3(3) . . . . ?
B3 B2 B6 Cl6 151.6(2) . . . . ?
B3 B2 B7 B8 37.3(2) . . . . ?
B3 B2 B7 B11 138.2(3) . . . . ?
B3 B2 B7 B12 100.6(3) . . . . ?
B3 B2 B7 Cl7 -112.6(3) . . . . ?
B3 B2 B11 B6 100.9(3) . . . . ?
B3 B2 B11 B7 -37.1(2) . . . . ?
B3 B2 B11 B10 63.7(3) . . . . ?
B3 B2 B11 B12 0.3(3) . . . . ?
B3 B2 B11 Cl11 -149.5(2) . . . . ?
B3 B4 B5 B1A -37.8(6) . . . . ?
B3 B4 B5 B1B -39.4(13) . . . . ?
B3 B4 B5 B6 -0.1(3) . . . . ?
B3 B4 B5 B9 100.6(3) . . . . ?
B3 B4 B5 B10 63.2(3) . . . . ?
B3 B4 B5 Cl5 -151.3(2) . . . . ?
B3 B4 B8 B7 -37.1(2) . . . . ?
B3 B4 B8 B9 -137.8(2) . . . . ?
B3 B4 B8 B12 -100.4(3) . . . . ?
B3 B4 B8 Cl8 111.6(3) . . . . ?
B3 B4 B9 B5 -101.0(3) . . . . ?
B3 B4 B9 B8 37.8(2) . . . . ?
B3 B4 B9 B10 -63.2(3) . . . . ?
B3 B4 B9 B12 0.3(3) . . . . ?
B3 B4 B9 Cl9 148.9(2) . . . . ?
B3 B7 B8 B4 37.2(2) . . . . ?
B3 B7 B8 B9 101.0(2) . . . . ?
B3 B7 B8 B12 138.1(2) . . . . ?
B3 B7 B8 Cl8 -110.7(3) . . . . ?
B3 B7 B11 B2 37.3(2) . . . . ?
B3 B7 B11 B6 -0.1(3) . . . . ?
B3 B7 B11 B10 -63.8(3) . . . . ?
B3 B7 B11 B12 -100.8(3) . . . . ?
B3 B7 B11 Cl11 146.9(2) . . . . ?
B3 B7 B12 B8 -37.4(2) . . . . ?
B3 B7 B12 B9 0.0(3) . . . . ?
B3 B7 B12 B10 63.6(3) . . . . ?
B3 B7 B12 B11 100.7(3) . . . . ?
B3 B7 B12 Cl12 -146.5(2) . . . . ?
B3 B8 B9 B4 -37.8(2) . . . . ?
B3 B8 B9 B5 -0.9(3) . . . . ?
B3 B8 B9 B10 63.0(3) . . . . ?
B3 B8 B9 B12 100.3(3) . . . . ?
B3 B8 B9 Cl9 -150.6(2) . . . . ?
B3 B8 B12 B7 37.3(2) . . . . ?
B3 B8 B12 B9 -101.1(3) . . . . ?
B3 B8 B12 B10 -63.7(3) . . . . ?
B3 B8 B12 B11 -0.3(3) . . . . ?
B3 B8 B12 Cl12 147.8(2) . . . . ?
B4 B1A B2 B3 -37.4(5) . . . . ?
B4 B1A B2 B6 97.1(7) . . . . ?
B4 B1A B2 B7 -2.3(9) . . . . ?
B4 B1A B2 B11 61.9(8) . . . . ?
B4 B1A B2 Cl2 -150.1(5) . . . . ?
B4 B1A B3 B2 136.1(5) . . . . ?
B4 B1A B3 B7 101.1(4) . . . . ?
B4 B1A B3 B8 36.6(5) . . . . ?
B4 B1A B3 Cl3 -112.1(4) . . . . ?
B4 B1A B5 B6 -136.9(6) . . . . ?
B4 B1A B5 B9 -37.5(5) . . . . ?
B4 B1A B5 B10 -100.8(4) . . . . ?
B4 B1A B5 Cl5 111.1(4) . . . . ?
B4 B1A B6 B2 -99.8(8) . . . . ?
B4 B1A B6 B5 36.1(5) . . . . ?
B4 B1A B6 B10 -1.0(9) . . . . ?
B4 B1A B6 B11 -65.0(8) . . . . ?
B4 B1A B6 Cl6 149.5(5) . . . . ?
B4 B1A O1 C49 -100.8(14) . . . . ?
B4 B1B B3 B7 99.2(8) . . . . ?
B4 B1B B3 B8 36.0(10) . . . . ?
B4 B1B B3 Cl3 -107.3(9) . . . . ?
B4 B1B B5 B6 -137.2(12) . . . . ?
B4 B1B B5 B9 -35.5(10) . . . . ?
B4 B1B B5 B10 -98.6(8) . . . . ?
B4 B1B B5 Cl5 108.9(9) . . . . ?
B4 B1B B6 B5 41.3(12) . . . . ?
B4 B1B B6 B10 4(2) . . . . ?
B4 B1B B6 B11 -58.5(19) . . . . ?
B4 B1B B6 Cl6 149.4(11) . . . . ?
B4 B3 B7 B2 101.1(3) . . . . ?
B4 B3 B7 B8 -37.1(2) . . . . ?
B4 B3 B7 B11 63.7(3) . . . . ?
B4 B3 B7 B12 0.2(3) . . . . ?
B4 B3 B7 Cl7 -148.7(2) . . . . ?
B4 B3 B8 B7 138.4(2) . . . . ?
B4 B3 B8 B9 38.0(2) . . . . ?
B4 B3 B8 B12 101.1(3) . . . . ?
B4 B3 B8 Cl8 -109.4(3) . . . . ?
B4 B5 B6 B1A -39.0(6) . . . . ?
B4 B5 B6 B1B -36.7(13) . . . . ?
B4 B5 B6 B2 -0.1(3) . . . . ?
B4 B5 B6 B10 100.7(2) . . . . ?
B4 B5 B6 B11 63.6(3) . . . . ?
B4 B5 B6 Cl6 -151.2(2) . . . . ?
B4 B5 B9 B8 -36.7(2) . . . . ?
B4 B5 B9 B10 -137.9(3) . . . . ?
B4 B5 B9 B12 -100.4(3) . . . . ?
B4 B5 B9 Cl9 113.4(3) . . . . ?
B4 B5 B10 B6 -100.4(3) . . . . ?
B4 B5 B10 B9 37.5(2) . . . . ?
B4 B5 B10 B11 -63.2(3) . . . . ?
B4 B5 B10 B12 0.3(3) . . . . ?
B4 B5 B10 Cl10 148.8(2) . . . . ?
B4 B8 B9 B5 36.9(2) . . . . ?
B4 B8 B9 B10 100.8(3) . . . . ?
B4 B8 B9 B12 138.1(3) . . . . ?
B4 B8 B9 Cl9 -112.9(3) . . . . ?
B4 B8 B12 B7 100.7(3) . . . . ?
B4 B8 B12 B9 -37.7(2) . . . . ?
B4 B8 B12 B10 -0.4(3) . . . . ?
B4 B8 B12 B11 63.1(3) . . . . ?
B4 B8 B12 Cl12 -148.8(2) . . . . ?
B4 B9 B10 B5 -37.7(2) . . . . ?
B4 B9 B10 B6 -0.3(3) . . . . ?
B4 B9 B10 B11 63.1(3) . . . . ?
B4 B9 B10 B12 100.5(3) . . . . ?
B4 B9 B10 Cl10 -148.2(2) . . . . ?
B4 B9 B12 B7 -0.2(3) . . . . ?
B4 B9 B12 B8 37.3(2) . . . . ?
B4 B9 B12 B10 -101.1(3) . . . . ?
B4 B9 B12 B11 -63.7(3) . . . . ?
B4 B9 B12 Cl12 146.0(2) . . . . ?
B5 B1A B2 B3 -96.7(7) . . . . ?
B5 B1A B2 B6 37.8(5) . . . . ?
B5 B1A B2 B7 -61.6(9) . . . . ?
B5 B1A B2 B11 2.6(9) . . . . ?
B5 B1A B2 Cl2 150.6(5) . . . . ?
B5 B1A B3 B2 100.3(8) . . . . ?
B5 B1A B3 B4 -35.8(5) . . . . ?
B5 B1A B3 B7 65.4(8) . . . . ?
B5 B1A B3 B8 0.8(9) . . . . ?
B5 B1A B3 Cl3 -147.9(5) . . . . ?
B5 B1A B4 B3 137.3(6) . . . . ?
B5 B1A B4 B8 101.2(4) . . . . ?
B5 B1A B4 B9 37.4(5) . . . . ?
B5 B1A B4 Cl4 -113.1(4) . . . . ?
B5 B1A B6 B2 -135.9(5) . . . . ?
B5 B1A B6 B10 -37.1(5) . . . . ?
B5 B1A B6 B11 -101.1(4) . . . . ?
B5 B1A B6 Cl6 113.3(4) . . . . ?
B5 B1A O1 C49 -35.1(18) . . . . ?
B5 B1B B3 B4 -41.6(11) . . . . ?
B5 B1B B3 B7 57.5(18) . . . . ?
B5 B1B B3 B8 -5.6(19) . . . . ?
B5 B1B B3 Cl3 -148.9(11) . . . . ?
B5 B1B B4 B3 137.1(12) . . . . ?
B5 B1B B4 B8 99.4(8) . . . . ?
B5 B1B B4 B9 35.7(10) . . . . ?
B5 B1B B4 Cl4 -112.0(8) . . . . ?
B5 B1B B6 B10 -37.4(10) . . . . ?
B5 B1B B6 B11 -99.8(8) . . . . ?
B5 B1B B6 Cl6 108.2(9) . . . . ?
B5 B4 B8 B3 100.9(3) . . . . ?
B5 B4 B8 B7 63.8(3) . . . . ?
B5 B4 B8 B9 -36.8(2) . . . . ?
B5 B4 B8 B12 0.6(3) . . . . ?
B5 B4 B8 Cl8 -147.4(2) . . . . ?
B5 B4 B9 B8 138.9(3) . . . . ?
B5 B4 B9 B10 37.8(2) . . . . ?
B5 B4 B9 B12 101.4(3) . . . . ?
B5 B4 B9 Cl9 -110.1(3) . . . . ?
B5 B6 B10 B9 -37.5(2) . . . . ?
B5 B6 B10 B11 -138.4(2) . . . . ?
B5 B6 B10 B12 -100.6(2) . . . . ?
B5 B6 B10 Cl10 110.4(3) . . . . ?
B5 B6 B11 B2 -101.4(3) . . . . ?
B5 B6 B11 B7 -63.7(3) . . . . ?
B5 B6 B11 B10 37.2(2) . . . . ?
B5 B6 B11 B12 -0.4(3) . . . . ?
B5 B6 B11 Cl11 148.5(2) . . . . ?
B5 B9 B10 B6 37.4(2) . . . . ?
B5 B9 B10 B11 100.8(3) . . . . ?
B5 B9 B10 B12 138.3(2) . . . . ?
B5 B9 B10 Cl10 -110.4(3) . . . . ?
B5 B9 B12 B7 63.4(3) . . . . ?
B5 B9 B12 B8 100.8(3) . . . . ?
B5 B9 B12 B10 -37.6(2) . . . . ?
B5 B9 B12 B11 -0.1(3) . . . . ?
B5 B9 B12 Cl12 -150.4(2) . . . . ?
B5 B10 B11 B2 -0.1(3) . . . . ?
B5 B10 B11 B6 -37.1(2) . . . . ?
B5 B10 B11 B7 63.8(3) . . . . ?
B5 B10 B11 B12 100.7(2) . . . . ?
B5 B10 B11 Cl11 -146.6(2) . . . . ?
B5 B10 B12 B7 -63.8(3) . . . . ?
B5 B10 B12 B8 0.0(3) . . . . ?
B5 B10 B12 B9 37.3(2) . . . . ?
B5 B10 B12 B11 -100.9(3) . . . . ?
B5 B10 B12 Cl12 147.2(2) . . . . ?
B6 B1A B2 B3 -134.5(5) . . . . ?
B6 B1A B2 B7 -99.4(4) . . . . ?
B6 B1A B2 B11 -35.2(5) . . . . ?
B6 B1A B2 Cl2 112.8(4) . . . . ?
B6 B1A B3 B2 40.0(5) . . . . ?
B6 B1A B3 B4 -96.1(7) . . . . ?
B6 B1A B3 B7 5.1(8) . . . . ?
B6 B1A B3 B8 -59.4(8) . . . . ?
B6 B1A B3 Cl3 151.9(4) . . . . ?
B6 B1A B4 B3 100.6(8) . . . . ?
B6 B1A B4 B5 -36.7(5) . . . . ?
B6 B1A B4 B8 64.5(8) . . . . ?
B6 B1A B4 B9 0.8(9) . . . . ?
B6 B1A B4 Cl4 -149.7(5) . . . . ?
B6 B1A B5 B4 136.9(6) . . . . ?
B6 B1A B5 B9 99.4(4) . . . . ?
B6 B1A B5 B10 36.1(5) . . . . ?
B6 B1A B5 Cl5 -112.0(5) . . . . ?
B6 B1A O1 C49 39(2) . . . . ?
B6 B1B B3 B4 -106.4(17) . . . . ?
B6 B1B B3 B7 -7.3(17) . . . . ?
B6 B1B B3 B8 -70.4(14) . . . . ?
B6 B1B B3 Cl3 146.3(9) . . . . ?
B6 B1B B4 B3 97.3(17) . . . . ?
B6 B1B B4 B5 -39.8(12) . . . . ?
B6 B1B B4 B8 59.6(19) . . . . ?
B6 B1B B4 B9 -4(2) . . . . ?
B6 B1B B4 Cl4 -151.8(10) . . . . ?
B6 B1B B5 B4 137.2(12) . . . . ?
B6 B1B B5 B9 101.7(7) . . . . ?
B6 B1B B5 B10 38.6(10) . . . . ?
B6 B1B B5 Cl5 -113.9(7) . . . . ?
B6 B2 B3 B1A -40.9(6) . . . . ?
B6 B2 B3 B4 -0.4(3) . . . . ?
B6 B2 B3 B7 100.6(3) . . . . ?
B6 B2 B3 B8 62.9(3) . . . . ?
B6 B2 B3 Cl3 -149.9(2) . . . . ?
B6 B2 B7 B3 -100.7(3) . . . . ?
B6 B2 B7 B8 -63.4(3) . . . . ?
B6 B2 B7 B11 37.5(2) . . . . ?
B6 B2 B7 B12 -0.1(3) . . . . ?
B6 B2 B7 Cl7 146.8(2) . . . . ?
B6 B2 B11 B7 -138.0(3) . . . . ?
B6 B2 B11 B10 -37.2(2) . . . . ?
B6 B2 B11 B12 -100.6(3) . . . . ?
B6 B2 B11 Cl11 109.6(3) . . . . ?
B6 B5 B9 B4 100.3(3) . . . . ?
B6 B5 B9 B8 63.6(3) . . . . ?
B6 B5 B9 B10 -37.6(2) . . . . ?
B6 B5 B9 B12 -0.1(3) . . . . ?
B6 B5 B9 Cl9 -146.3(2) . . . . ?
B6 B5 B10 B9 137.9(2) . . . . ?
B6 B5 B10 B11 37.2(2) . . . . ?
B6 B5 B10 B12 100.7(3) . . . . ?
B6 B5 B10 Cl10 -110.8(3) . . . . ?
B6 B10 B11 B2 36.9(2) . . . . ?
B6 B10 B11 B7 100.8(3) . . . . ?
B6 B10 B11 B12 137.8(2) . . . . ?
B6 B10 B11 Cl11 -109.6(3) . . . . ?
B6 B10 B12 B7 -0.7(3) . . . . ?
B6 B10 B12 B8 63.1(3) . . . . ?
B6 B10 B12 B9 100.4(3) . . . . ?
B6 B10 B12 B11 -37.7(2) . . . . ?
B6 B10 B12 Cl12 -149.7(2) . . . . ?
B6 B11 B12 B7 -100.8(3) . . . . ?
B6 B11 B12 B8 -63.2(3) . . . . ?
B6 B11 B12 B9 0.3(3) . . . . ?
B6 B11 B12 B10 37.8(2) . . . . ?
B6 B11 B12 Cl12 150.0(2) . . . . ?
B7 B2 B3 B1A -141.5(6) . . . . ?
B7 B2 B3 B4 -100.9(3) . . . . ?
B7 B2 B3 B8 -37.6(2) . . . . ?
B7 B2 B3 Cl3 109.6(3) . . . . ?
B7 B2 B6 B1A 104.2(6) . . . . ?
B7 B2 B6 B5 63.3(3) . . . . ?
B7 B2 B6 B10 -0.4(3) . . . . ?
B7 B2 B6 B11 -37.3(2) . . . . ?
B7 B2 B6 Cl6 -145.4(2) . . . . ?
B7 B2 B11 B6 138.0(3) . . . . ?
B7 B2 B11 B10 100.9(3) . . . . ?
B7 B2 B11 B12 37.5(2) . . . . ?
B7 B2 B11 Cl11 -112.3(3) . . . . ?
B7 B3 B4 B1A -102.6(6) . . . . ?
B7 B3 B4 B1B -101.4(13) . . . . ?
B7 B3 B4 B5 -63.7(3) . . . . ?
B7 B3 B4 B8 37.3(2) . . . . ?
B7 B3 B4 B9 -0.4(3) . . . . ?
B7 B3 B4 Cl4 148.8(2) . . . . ?
B7 B3 B8 B4 -138.4(2) . . . . ?
B7 B3 B8 B9 -100.4(3) . . . . ?
B7 B3 B8 B12 -37.3(2) . . . . ?
B7 B3 B8 Cl8 112.2(3) . . . . ?
B7 B8 B9 B4 -101.0(3) . . . . ?
B7 B8 B9 B5 -64.1(3) . . . . ?
B7 B8 B9 B10 -0.2(3) . . . . ?
B7 B8 B9 B12 37.1(2) . . . . ?
B7 B8 B9 Cl9 146.1(2) . . . . ?
B7 B8 B12 B9 -138.3(2) . . . . ?
B7 B8 B12 B10 -101.0(3) . . . . ?
B7 B8 B12 B11 -37.5(2) . . . . ?
B7 B8 B12 Cl12 110.5(3) . . . . ?
B7 B11 B12 B8 37.7(2) . . . . ?
B7 B11 B12 B9 101.2(3) . . . . ?
B7 B11 B12 B10 138.6(2) . . . . ?
B7 B11 B12 Cl12 -109.2(3) . . . . ?
B8 B3 B4 B1A -139.9(6) . . . . ?
B8 B3 B4 B1B -138.8(13) . . . . ?
B8 B3 B4 B5 -101.1(2) . . . . ?
B8 B3 B4 B9 -37.7(2) . . . . ?
B8 B3 B4 Cl4 111.5(3) . . . . ?
B8 B3 B7 B2 138.2(2) . . . . ?
B8 B3 B7 B11 100.9(3) . . . . ?
B8 B3 B7 B12 37.4(2) . . . . ?
B8 B3 B7 Cl7 -111.6(3) . . . . ?
B8 B4 B5 B1A -101.6(6) . . . . ?
B8 B4 B5 B1B -103.2(13) . . . . ?
B8 B4 B5 B6 -63.9(3) . . . . ?
B8 B4 B5 B9 36.8(2) . . . . ?
B8 B4 B5 B10 -0.6(3) . . . . ?
B8 B4 B5 Cl5 145.0(2) . . . . ?
B8 B4 B9 B5 -138.9(3) . . . . ?
B8 B4 B9 B10 -101.0(3) . . . . ?
B8 B4 B9 B12 -37.5(2) . . . . ?
B8 B4 B9 Cl9 111.1(3) . . . . ?
B8 B7 B11 B2 100.6(3) . . . . ?
B8 B7 B11 B6 63.2(3) . . . . ?
B8 B7 B11 B10 -0.5(3) . . . . ?
B8 B7 B11 B12 -37.4(2) . . . . ?
B8 B7 B11 Cl11 -149.8(2) . . . . ?
B8 B7 B12 B9 37.4(2) . . . . ?
B8 B7 B12 B10 101.0(3) . . . . ?
B8 B7 B12 B11 138.1(2) . . . . ?
B8 B7 B12 Cl12 -109.1(3) . . . . ?
B8 B9 B10 B5 -100.9(3) . . . . ?
B8 B9 B10 B6 -63.5(3) . . . . ?
B8 B9 B10 B11 -0.1(3) . . . . ?
B8 B9 B10 B12 37.4(2) . . . . ?
B8 B9 B10 Cl10 148.7(2) . . . . ?
B8 B9 B12 B7 -37.5(2) . . . . ?
B8 B9 B12 B10 -138.4(2) . . . . ?
B8 B9 B12 B11 -101.0(3) . . . . ?
B8 B9 B12 Cl12 108.8(3) . . . . ?
B9 B4 B5 B1A -138.5(6) . . . . ?
B9 B4 B5 B1B -140.1(13) . . . . ?
B9 B4 B5 B6 -100.7(3) . . . . ?
B9 B4 B5 B10 -37.4(2) . . . . ?
B9 B4 B5 Cl5 108.1(3) . . . . ?
B9 B4 B8 B3 137.8(2) . . . . ?
B9 B4 B8 B7 100.6(3) . . . . ?
B9 B4 B8 B12 37.4(2) . . . . ?
B9 B4 B8 Cl8 -110.6(3) . . . . ?
B9 B5 B6 B1A -102.3(6) . . . . ?
B9 B5 B6 B1B -100.0(13) . . . . ?
B9 B5 B6 B2 -63.4(3) . . . . ?
B9 B5 B6 B10 37.4(2) . . . . ?
B9 B5 B6 B11 0.3(3) . . . . ?
B9 B5 B6 Cl6 145.5(2) . . . . ?
B9 B5 B10 B6 -137.9(2) . . . . ?
B9 B5 B10 B11 -100.7(2) . . . . ?
B9 B5 B10 B12 -37.2(2) . . . . ?
B9 B5 B10 Cl10 111.2(3) . . . . ?
B9 B8 B12 B7 138.3(2) . . . . ?
B9 B8 B12 B10 37.3(2) . . . . ?
B9 B8 B12 B11 100.8(3) . . . . ?
B9 B8 B12 Cl12 -111.1(3) . . . . ?
B9 B10 B11 B2 -63.5(3) . . . . ?
B9 B10 B11 B6 -100.5(2) . . . . ?
B9 B10 B11 B7 0.4(3) . . . . ?
B9 B10 B11 B12 37.3(2) . . . . ?
B9 B10 B11 Cl11 150.0(2) . . . . ?
B9 B10 B12 B7 -101.1(3) . . . . ?
B9 B10 B12 B8 -37.3(2) . . . . ?
B9 B10 B12 B11 -138.1(2) . . . . ?
B9 B10 B12 Cl12 109.9(3) . . . . ?
B10 B5 B6 B1A -139.7(6) . . . . ?
B10 B5 B6 B1B -137.4(13) . . . . ?
B10 B5 B6 B2 -100.8(3) . . . . ?
B10 B5 B6 B11 -37.1(2) . . . . ?
B10 B5 B6 Cl6 108.1(3) . . . . ?
B10 B5 B9 B4 137.9(3) . . . . ?
B10 B5 B9 B8 101.2(3) . . . . ?
B10 B5 B9 B12 37.5(2) . . . . ?
B10 B5 B9 Cl9 -108.7(3) . . . . ?
B10 B6 B11 B2 -138.6(2) . . . . ?
B10 B6 B11 B7 -100.9(3) . . . . ?
B10 B6 B11 B12 -37.7(2) . . . . ?
B10 B6 B11 Cl11 111.3(3) . . . . ?
B10 B9 B12 B7 100.9(3) . . . . ?
B10 B9 B12 B8 138.4(2) . . . . ?
B10 B9 B12 B11 37.4(2) . . . . ?
B10 B9 B12 Cl12 -112.8(3) . . . . ?
B10 B11 B12 B7 -138.6(2) . . . . ?
B10 B11 B12 B8 -101.0(3) . . . . ?
B10 B11 B12 B9 -37.5(2) . . . . ?
B10 B11 B12 Cl12 112.2(3) . . . . ?
B11 B2 B3 B1A -104.4(6) . . . . ?
B11 B2 B3 B4 -63.8(3) . . . . ?
B11 B2 B3 B7 37.1(2) . . . . ?
B11 B2 B3 B8 -0.5(3) . . . . ?
B11 B2 B3 Cl3 146.7(2) . . . . ?
B11 B2 B6 B1A 141.5(6) . . . . ?
B11 B2 B6 B5 100.6(3) . . . . ?
B11 B2 B6 B10 36.9(2) . . . . ?
B11 B2 B6 Cl6 -108.1(3) . . . . ?
B11 B2 B7 B3 -138.2(3) . . . . ?
B11 B2 B7 B8 -100.9(3) . . . . ?
B11 B2 B7 B12 -37.6(2) . . . . ?
B11 B2 B7 Cl7 109.3(3) . . . . ?
B11 B6 B10 B5 138.4(2) . . . . ?
B11 B6 B10 B9 100.9(3) . . . . ?
B11 B6 B10 B12 37.8(2) . . . . ?
B11 B6 B10 Cl10 -111.1(3) . . . . ?
B11 B7 B8 B3 -100.6(3) . . . . ?
B11 B7 B8 B4 -63.4(3) . . . . ?
B11 B7 B8 B9 0.4(3) . . . . ?
B11 B7 B8 B12 37.5(2) . . . . ?
B11 B7 B8 Cl8 148.8(2) . . . . ?
B11 B7 B12 B8 -138.1(2) . . . . ?
B11 B7 B12 B9 -100.7(3) . . . . ?
B11 B7 B12 B10 -37.0(2) . . . . ?
B11 B7 B12 Cl12 112.8(3) . . . . ?
B11 B10 B12 B7 37.0(2) . . . . ?
B11 B10 B12 B8 100.9(3) . . . . ?
B11 B10 B12 B9 138.1(2) . . . . ?
B11 B10 B12 Cl12 -112.0(3) . . . . ?
B12 B7 B8 B3 -138.1(2) . . . . ?
B12 B7 B8 B4 -100.9(2) . . . . ?
B12 B7 B8 B9 -37.1(2) . . . . ?
B12 B7 B8 Cl8 111.2(3) . . . . ?
B12 B7 B11 B2 138.0(3) . . . . ?
B12 B7 B11 B6 100.7(3) . . . . ?
B12 B7 B11 B10 37.0(2) . . . . ?
B12 B7 B11 Cl11 -112.3(3) . . . . ?
B12 B8 B9 B4 -138.1(3) . . . . ?
B12 B8 B9 B5 -101.2(3) . . . . ?
B12 B8 B9 B10 -37.3(2) . . . . ?
B12 B8 B9 Cl9 109.0(3) . . . . ?
B12 B9 B10 B5 -138.3(2) . . . . ?
B12 B9 B10 B6 -100.8(3) . . . . ?
B12 B9 B10 B11 -37.5(2) . . . . ?
B12 B9 B10 Cl10 111.3(3) . . . . ?
B12 B10 B11 B2 -100.8(2) . . . . ?
B12 B10 B11 B6 -137.8(2) . . . . ?
B12 B10 B11 B7 -36.9(2) . . . . ?
B12 B10 B11 Cl11 112.7(3) . . . . ?
C49 C50 C51 C52 -177.1(4) . . . . ?
C50 C49 O1 B1A -135.7(11) . . . . ?
C50 C51 C52 C53 -178.2(4) . . . . ?
C51 C52 C53 C54 -64.1(11) . . . . ?
C52 C53 C54 C55 -170.4(8) . . . . ?
C53 C54 C55 C56 -169.5(6) . . . . ?
C57 C58 C59 C60 59(9) . . . . ?
C58 C59 C60 C61 -2(9) . . . . ?
C59 C60 C61 C62 140.2(10) . . . . ?
C60 C61 C62 C63 -95.1(5) . . . . ?
C61 C62 C63 C64 160.6(10) . . . . ?
Cl1 B1B B3 B4 123(2) . . . . ?
Cl1 B1B B3 B7 -137.4(14) . . . . ?
Cl1 B1B B3 B8 159.5(14) . . . . ?
Cl1 B1B B3 Cl3 16(2) . . . . ?
Cl1 B1B B4 B3 -101(3) . . . . ?
Cl1 B1B B4 B5 122(3) . . . . ?
Cl1 B1B B4 B8 -138(2) . . . . ?
Cl1 B1B B4 B9 158(2) . . . . ?
Cl1 B1B B4 Cl4 10(3) . . . . ?
Cl1 B1B B5 B4 -122(3) . . . . ?
Cl1 B1B B5 B6 101(3) . . . . ?
Cl1 B1B B5 B9 -157(2) . . . . ?
Cl1 B1B B5 B10 140(2) . . . . ?
Cl1 B1B B5 Cl5 -13(3) . . . . ?
Cl1 B1B B6 B5 -123(2) . . . . ?
Cl1 B1B B6 B10 -160.7(15) . . . . ?
Cl1 B1B B6 B11 136.8(15) . . . . ?
Cl1 B1B B6 Cl6 -15(2) . . . . ?
Cl2 B2 B3 B1A 105.7(6) . . . . ?
Cl2 B2 B3 B4 146.3(2) . . . . ?
Cl2 B2 B3 B7 -112.8(3) . . . . ?
Cl2 B2 B3 B8 -150.4(2) . . . . ?
Cl2 B2 B3 Cl3 -3.3(4) . . . . ?
Cl2 B2 B6 B1A -105.4(6) . . . . ?
Cl2 B2 B6 B5 -146.2(2) . . . . ?
Cl2 B2 B6 B10 150.1(2) . . . . ?
Cl2 B2 B6 B11 113.1(3) . . . . ?
Cl2 B2 B6 Cl6 5.1(4) . . . . ?
Cl2 B2 B7 B3 109.6(3) . . . . ?
Cl2 B2 B7 B8 146.9(2) . . . . ?
Cl2 B2 B7 B11 -112.3(3) . . . . ?
Cl2 B2 B7 B12 -149.8(2) . . . . ?
Cl2 B2 B7 Cl7 -3.0(4) . . . . ?
Cl2 B2 B11 B6 -110.0(3) . . . . ?
Cl2 B2 B11 B7 112.0(3) . . . . ?
Cl2 B2 B11 B10 -147.2(2) . . . . ?
Cl2 B2 B11 B12 149.5(2) . . . . ?
Cl2 B2 B11 Cl11 -0.4(4) . . . . ?
Cl3 B3 B4 B1A 111.4(6) . . . . ?
Cl3 B3 B4 B1B 112.6(13) . . . . ?
Cl3 B3 B4 B5 150.3(2) . . . . ?
Cl3 B3 B4 B8 -108.7(3) . . . . ?
Cl3 B3 B4 B9 -146.4(2) . . . . ?
Cl3 B3 B4 Cl4 2.8(4) . . . . ?
Cl3 B3 B7 B2 -112.7(3) . . . . ?
Cl3 B3 B7 B8 109.1(3) . . . . ?
Cl3 B3 B7 B11 -150.0(2) . . . . ?
Cl3 B3 B7 B12 146.5(2) . . . . ?
Cl3 B3 B7 Cl7 -2.4(4) . . . . ?
Cl3 B3 B8 B4 111.1(3) . . . . ?
Cl3 B3 B8 B7 -110.5(3) . . . . ?
Cl3 B3 B8 B9 149.1(2) . . . . ?
Cl3 B3 B8 B12 -147.8(2) . . . . ?
Cl3 B3 B8 Cl8 1.7(4) . . . . ?
Cl4 B4 B5 B1A 108.8(6) . . . . ?
Cl4 B4 B5 B1B 107.2(13) . . . . ?
Cl4 B4 B5 B6 146.5(2) . . . . ?
Cl4 B4 B5 B9 -112.7(3) . . . . ?
Cl4 B4 B5 B10 -150.1(2) . . . . ?
Cl4 B4 B5 Cl5 -4.6(4) . . . . ?
Cl4 B4 B8 B3 -109.2(3) . . . . ?
Cl4 B4 B8 B7 -146.4(2) . . . . ?
Cl4 B4 B8 B9 113.0(3) . . . . ?
Cl4 B4 B8 B12 150.4(2) . . . . ?
Cl4 B4 B8 Cl8 2.4(4) . . . . ?
Cl4 B4 B9 B5 111.0(3) . . . . ?
Cl4 B4 B9 B8 -110.1(3) . . . . ?
Cl4 B4 B9 B10 148.8(2) . . . . ?
Cl4 B4 B9 B12 -147.6(2) . . . . ?
Cl4 B4 B9 Cl9 1.0(4) . . . . ?
Cl5 B5 B6 B1A 111.5(6) . . . . ?
Cl5 B5 B6 B1B 113.8(13) . . . . ?
Cl5 B5 B6 B2 150.4(2) . . . . ?
Cl5 B5 B6 B10 -108.8(3) . . . . ?
Cl5 B5 B6 B11 -145.9(2) . . . . ?
Cl5 B5 B6 Cl6 -0.7(4) . . . . ?
Cl5 B5 B9 B4 -111.8(3) . . . . ?
Cl5 B5 B9 B8 -148.5(2) . . . . ?
Cl5 B5 B9 B10 110.3(3) . . . . ?
Cl5 B5 B9 B12 147.7(2) . . . . ?
Cl5 B5 B9 Cl9 1.6(4) . . . . ?
Cl5 B5 B10 B6 113.6(3) . . . . ?
Cl5 B5 B10 B9 -108.5(3) . . . . ?
Cl5 B5 B10 B11 150.8(2) . . . . ?
Cl5 B5 B10 B12 -145.7(2) . . . . ?
Cl5 B5 B10 Cl10 2.8(4) . . . . ?
Cl6 B6 B10 B5 -112.8(3) . . . . ?
Cl6 B6 B10 B9 -150.3(2) . . . . ?
Cl6 B6 B10 B11 108.8(3) . . . . ?
Cl6 B6 B10 B12 146.6(2) . . . . ?
Cl6 B6 B10 Cl10 -2.3(4) . . . . ?
Cl6 B6 B11 B2 112.2(3) . . . . ?
Cl6 B6 B11 B7 149.8(2) . . . . ?
Cl6 B6 B11 B10 -109.2(3) . . . . ?
Cl6 B6 B11 B12 -146.9(2) . . . . ?
Cl6 B6 B11 Cl11 2.0(4) . . . . ?
Cl7 B7 B8 B3 112.3(3) . . . . ?
Cl7 B7 B8 B4 149.5(2) . . . . ?
Cl7 B7 B8 B9 -146.7(2) . . . . ?
Cl7 B7 B8 B12 -109.6(3) . . . . ?
Cl7 B7 B8 Cl8 1.6(4) . . . . ?
Cl7 B7 B11 B2 -111.4(3) . . . . ?
Cl7 B7 B11 B6 -148.7(2) . . . . ?
Cl7 B7 B11 B10 147.5(2) . . . . ?
Cl7 B7 B11 B12 110.6(3) . . . . ?
Cl7 B7 B11 Cl11 -1.7(4) . . . . ?
Cl7 B7 B12 B8 112.3(3) . . . . ?
Cl7 B7 B12 B9 149.7(2) . . . . ?
Cl7 B7 B12 B10 -146.6(2) . . . . ?
Cl7 B7 B12 B11 -109.6(3) . . . . ?
Cl7 B7 B12 Cl12 3.2(4) . . . . ?
Cl8 B8 B9 B4 110.0(3) . . . . ?
Cl8 B8 B9 B5 146.8(2) . . . . ?
Cl8 B8 B9 B10 -149.3(2) . . . . ?
Cl8 B8 B9 B12 -111.9(3) . . . . ?
Cl8 B8 B9 Cl9 -2.9(4) . . . . ?
Cl8 B8 B12 B7 -112.0(3) . . . . ?
Cl8 B8 B12 B9 109.6(3) . . . . ?
Cl8 B8 B12 B10 146.9(2) . . . . ?
Cl8 B8 B12 B11 -149.6(2) . . . . ?
Cl8 B8 B12 Cl12 -1.5(4) . . . . ?
Cl9 B9 B10 B5 111.6(3) . . . . ?
Cl9 B9 B10 B6 149.1(2) . . . . ?
Cl9 B9 B10 B11 -147.6(2) . . . . ?
Cl9 B9 B10 B12 -110.1(3) . . . . ?
Cl9 B9 B10 Cl10 1.2(4) . . . . ?
Cl9 B9 B12 B7 -150.0(2) . . . . ?
Cl9 B9 B12 B8 -112.5(3) . . . . ?
Cl9 B9 B12 B10 109.1(3) . . . . ?
Cl9 B9 B12 B11 146.5(2) . . . . ?
Cl9 B9 B12 Cl12 -3.8(4) . . . . ?
Cl10 B10 B11 B2 147.7(2) . . . . ?
Cl10 B10 B11 B6 110.8(3) . . . . ?
Cl10 B10 B11 B7 -148.4(2) . . . . ?
Cl10 B10 B11 B12 -111.5(3) . . . . ?
Cl10 B10 B11 Cl11 1.2(4) . . . . ?
Cl10 B10 B12 B7 148.0(2) . . . . ?
Cl10 B10 B12 B8 -148.1(2) . . . . ?
Cl10 B10 B12 B9 -110.9(3) . . . . ?
Cl10 B10 B12 B11 111.0(3) . . . . ?
Cl10 B10 B12 Cl12 -1.0(4) . . . . ?
Cl11 B11 B12 B7 111.2(3) . . . . ?
Cl11 B11 B12 B8 148.9(2) . . . . ?
Cl11 B11 B12 B9 -147.6(2) . . . . ?
Cl11 B11 B12 B10 -110.1(3) . . . . ?
Cl11 B11 B12 Cl12 2.1(4) . . . . ?
O1 B1A B2 B3 105.1(17) . . . . ?
O1 B1A B2 B6 -120.4(17) . . . . ?
O1 B1A B2 B7 140.1(14) . . . . ?
O1 B1A B2 B11 -155.7(14) . . . . ?
O1 B1A B2 Cl2 -7.6(19) . . . . ?
O1 B1A B3 B2 -120.5(13) . . . . ?
O1 B1A B3 B4 103.4(13) . . . . ?
O1 B1A B3 B7 -155.4(11) . . . . ?
O1 B1A B3 B8 140.0(10) . . . . ?
O1 B1A B3 Cl3 -8.6(14) . . . . ?
O1 B1A B4 B3 -109.8(14) . . . . ?
O1 B1A B4 B5 112.9(14) . . . . ?
O1 B1A B4 B8 -146.0(11) . . . . ?
O1 B1A B4 B9 150.3(11) . . . . ?
O1 B1A B4 Cl4 -0.2(15) . . . . ?
O1 B1A B5 B4 -101.7(14) . . . . ?
O1 B1A B5 B6 121.4(15) . . . . ?
O1 B1A B5 B9 -139.2(12) . . . . ?
O1 B1A B5 B10 157.5(12) . . . . ?
O1 B1A B5 Cl5 9.4(16) . . . . ?
O1 B1A B6 B2 117.4(16) . . . . ?
O1 B1A B6 B5 -106.7(16) . . . . ?
O1 B1A B6 B10 -143.8(13) . . . . ?
O1 B1A B6 B11 152.2(14) . . . . ?
O1 B1A B6 Cl6 6.7(18) . . . . ?
O1 C49 C50 C51 166.9(7) . . . . ?
O2 C57 C58 C59 56(2) . . . . ?
C25 C26 C27 C28 0.2(5) . . . . ?
C26 C25 C30 C29 -0.2(5) . . . . ?
C26 C25 P2 C31 -52.5(3) . . . . ?
C26 C25 P2 C37 64.4(3) . . . . ?
C26 C25 P2 C43 -174.5(3) . . . . ?
C26 C27 C28 C29 -0.7(5) . . . . ?
C27 C28 C29 C30 0.6(5) . . . . ?
C28 C29 C30 C25 -0.2(5) . . . . ?
C30 C25 C26 C27 0.2(5) . . . . ?
C30 C25 P2 C31 131.3(3) . . . . ?
C30 C25 P2 C37 -111.9(3) . . . . ?
C30 C25 P2 C43 9.2(3) . . . . ?
C31 C32 C33 C34 0.3(5) . . . . ?
C32 C31 C36 C35 1.4(5) . . . . ?
C32 C31 P2 C25 -111.6(3) . . . . ?
C32 C31 P2 C37 129.4(3) . . . . ?
C32 C31 P2 C43 10.1(3) . . . . ?
C32 C33 C34 C35 -0.2(6) . . . . ?
C33 C34 C35 C36 0.8(6) . . . . ?
C34 C35 C36 C31 -1.3(5) . . . . ?
C36 C31 C32 C33 -0.8(5) . . . . ?
C36 C31 P2 C25 70.4(3) . . . . ?
C36 C31 P2 C37 -48.5(3) . . . . ?
C36 C31 P2 C43 -167.8(3) . . . . ?
C37 C38 C39 C40 -2.7(6) . . . . ?
C38 C37 C42 C41 -0.2(5) . . . . ?
C38 C37 P2 C25 -171.9(3) . . . . ?
C38 C37 P2 C31 -51.4(3) . . . . ?
C38 C37 P2 C43 67.6(3) . . . . ?
C38 C39 C40 C41 1.1(6) . . . . ?
C39 C40 C41 C42 1.0(6) . . . . ?
C40 C41 C42 C37 -1.4(5) . . . . ?
C42 C37 C38 C39 2.2(5) . . . . ?
C42 C37 P2 C25 6.6(3) . . . . ?
C42 C37 P2 C31 127.2(3) . . . . ?
C42 C37 P2 C43 -113.9(3) . . . . ?
C43 C44 C45 C46 -0.1(6) . . . . ?
C44 C43 C48 C47 -0.7(5) . . . . ?
C44 C43 P2 C25 -122.9(3) . . . . ?
C44 C43 P2 C31 113.9(3) . . . . ?
C44 C43 P2 C37 -2.5(3) . . . . ?
C44 C45 C46 C47 -0.6(6) . . . . ?
C45 C46 C47 C48 0.7(6) . . . . ?
C46 C47 C48 C43 -0.1(6) . . . . ?
C48 C43 C44 C45 0.8(5) . . . . ?
C48 C43 P2 C25 57.0(3) . . . . ?
C48 C43 P2 C31 -66.2(3) . . . . ?
C48 C43 P2 C37 177.4(3) . . . . ?
P2 C25 C26 C27 -176.1(3) . . . . ?
P2 C25 C30 C29 176.0(2) . . . . ?
P2 C31 C32 C33 -178.7(3) . . . . ?
P2 C31 C36 C35 179.3(3) . . . . ?
P2 C37 C38 C39 -179.2(3) . . . . ?
P2 C37 C42 C41 -178.7(3) . . . . ?
P2 C43 C44 C45 -179.3(3) . . . . ?
P2 C43 C48 C47 179.4(3) . . . . ?
C1 C2 C3 C4 -0.8(6) . . . . ?
C2 C1 C6 C5 -1.4(5) . . . . ?
C2 C1 P1 C7 -167.9(3) . . . . ?
C2 C1 P1 C13 -45.3(3) . . . . ?
C2 C1 P1 C19 71.3(3) . . . . ?
C2 C3 C4 C5 -1.1(6) . . . . ?
C3 C4 C5 C6 1.7(6) . . . . ?
C4 C5 C6 C1 -0.4(5) . . . . ?
C6 C1 C2 C3 2.0(6) . . . . ?
C6 C1 P1 C7 17.8(3) . . . . ?
C6 C1 P1 C13 140.3(3) . . . . ?
C6 C1 P1 C19 -103.0(3) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C8 C7 C12 C11 0.2(5) . . . . ?
C8 C7 P1 C1 -124.1(3) . . . . ?
C8 C7 P1 C13 110.2(3) . . . . ?
C8 C7 P1 C19 -4.6(3) . . . . ?
C8 C9 C10 C11 0.7(5) . . . . ?
C9 C10 C11 C12 -0.9(6) . . . . ?
C10 C11 C12 C7 0.4(5) . . . . ?
C12 C7 C8 C9 -0.3(5) . . . . ?
C12 C7 P1 C1 57.5(3) . . . . ?
C12 C7 P1 C13 -68.2(3) . . . . ?
C12 C7 P1 C19 176.9(3) . . . . ?
C13 C14 C15 C16 0.3(7) . . . . ?
C14 C13 C18 C17 0.4(5) . . . . ?
C14 C13 P1 C1 -117.6(3) . . . . ?
C14 C13 P1 C7 4.7(4) . . . . ?
C14 C13 P1 C19 123.5(3) . . . . ?
C14 C15 C16 C17 -0.8(7) . . . . ?
C15 C16 C17 C18 1.1(6) . . . . ?
C16 C17 C18 C13 -0.9(5) . . . . ?
C18 C13 C14 C15 -0.1(6) . . . . ?
C18 C13 P1 C1 69.0(3) . . . . ?
C18 C13 P1 C7 -168.7(3) . . . . ?
C18 C13 P1 C19 -49.9(3) . . . . ?
C19 C20 C21 C22 -0.4(6) . . . . ?
C20 C19 C24 C23 0.8(5) . . . . ?
C20 C19 P1 C1 -171.3(3) . . . . ?
C20 C19 P1 C7 69.1(3) . . . . ?
C20 C19 P1 C13 -48.6(3) . . . . ?
C20 C21 C22 C23 -0.4(6) . . . . ?
C21 C22 C23 C24 1.5(6) . . . . ?
C22 C23 C24 C19 -1.7(5) . . . . ?
C24 C19 C20 C21 0.3(5) . . . . ?
C24 C19 P1 C1 7.0(3) . . . . ?
C24 C19 P1 C7 -112.6(3) . . . . ?
C24 C19 P1 C13 129.7(3) . . . . ?
P1 C1 C2 C3 -172.4(3) . . . . ?
P1 C1 C6 C5 172.9(3) . . . . ?
P1 C7 C8 C9 -178.7(3) . . . . ?
P1 C7 C12 C11 178.6(3) . . . . ?
P1 C13 C14 C15 -173.4(3) . . . . ?
P1 C13 C18 C17 173.9(3) . . . . ?
P1 C19 C20 C21 178.6(3) . . . . ?
P1 C19 C24 C23 -177.5(3) . . . . ?

_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_168pph42
_database_code_depnum_ccdc_archive 'CCDC 1057643'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-03-27
_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         '2(C24 H20 P), C3 H7 B12 Br11 O, C2 H3 N'
_chemical_formula_sum            'C53 H50 B12 Br11 N O P2'
_chemical_formula_weight         1787.61
_chemical_melting_point          ?
_chemical_oxdiff_formula         B12Br11OC51H47P2
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.8024(4)
_cell_length_b                   38.8526(14)
_cell_length_c                   13.9673(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.786(2)
_cell_angle_gamma                90.00
_cell_volume                     6401.7(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11806
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.5340
_cell_measurement_theta_min      2.4460
_exptl_absorpt_coefficient_mu    6.973
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.58822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.31 (release 14-01-2014 CrysAlis 171.NET) (complied Jan 14 2014 18:38:05) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            43395
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.44
_diffrn_reflns_theta_min         2.02
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.851
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    2.00   28.10   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       -8.5000   37.0000  -30.0000 87

#__ type_ start__ end____ width___ exp.time_
  2 omega   13.00   80.20   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000   60.0000 224

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00  -21.00   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       -8.5000  111.0000 -151.0000 90

#__ type_ start__ end____ width___ exp.time_
  4 omega  -54.00   44.10   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -19.0000   60.0000 327

#__ type_ start__ end____ width___ exp.time_
  5 omega   -1.00   51.20   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000  -30.0000 174

#__ type_ start__ end____ width___ exp.time_
  6 omega   -3.00   53.40   0.3000   30.4450
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000 -150.0000 188
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0106040000
_diffrn_orient_matrix_UB_12      0.0170113000
_diffrn_orient_matrix_UB_13      0.0158529000
_diffrn_orient_matrix_UB_21      0.0057650000
_diffrn_orient_matrix_UB_22      -0.0055677000
_diffrn_orient_matrix_UB_23      0.0482825000
_diffrn_orient_matrix_UB_31      0.0588683000
_diffrn_orient_matrix_UB_32      0.0036284000
_diffrn_orient_matrix_UB_33      -0.0001884000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                11833
_reflns_number_total             15102
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.728
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.162
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         15102
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0559
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0680P)²+8.8730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1471
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 Two phenyl rings on one PPh4 cations are disordered over two positions
 and have been refined with occupancies of 0.62 and 0.38.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C25A) \\sim Ueq, Uanis(C25B) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(C25B) \\sim Ueq, Uanis(C25A) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.2
Uanis(C25A) \\sim Ueq, Uanis(C25B) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.2
3. Others
 Sof(C25A)=Sof(C26A)=Sof(H26A)=Sof(C27A)=Sof(H27A)=Sof(C28A)=Sof(H28A)=
 Sof(C29A)=Sof(H29A)=Sof(C30A)=Sof(H30A)=Sof(C37B)=Sof(C38B)=Sof(H38B)=
 Sof(C39B)=Sof(H39B)=Sof(C40B)=Sof(H40B)=Sof(C41B)=Sof(H41B)=Sof(C42B)=
 Sof(H42B)=1-FVAR(1)
 Sof(C25B)=Sof(C26B)=Sof(H26B)=Sof(C27B)=Sof(H27B)=Sof(C28B)=Sof(H28B)=
 Sof(C29B)=Sof(H29B)=Sof(C30B)=Sof(H30B)=Sof(C37A)=Sof(C38A)=Sof(H38A)=
 Sof(C39A)=Sof(H39A)=Sof(C40A)=Sof(H40A)=Sof(C41A)=Sof(H41A)=Sof(C42A)=
 Sof(H42A)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B), C50(H50A,H50B)
4.b Aromatic/amide H refined with riding coordinates:
 C26A(H26A), C27A(H27A), C28A(H28A), C29A(H29A), C30A(H30A), C26B(H26B),
 C27B(H27B), C28B(H28B), C29B(H29B), C30B(H30B), C32(H32), C33(H33), C34(H34),
 C35(H35), C36(H36), C38A(H38A), C39A(H39A), C40A(H40A), C41A(H41A), C42A(H42A),
  C38B(H38B), C39B(H39B), C40B(H40B), C41B(H41B), C42B(H42B), C44(H44),
 C45(H45), C46(H46), C47(H47), C48(H48), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6),
  C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
4.c Fitted hexagon refined as free rotating group:
 C25A(C26A,C27A,C28A,C29A,C30A), C25B(C26B,C27B,C28B,C29B,C30B), C37A(C38A,
 C39A,C40A,C41A,C42A), C37B(C38B,C39B,C40B,C41B,C42B)
4.d Idealised Me refined as rotating group:
 C51(H51A,H51B,H51C), C53(H53A,H53B,H53C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C25A C 0.4513(12) 0.7577(3) 0.7830(8) 0.021(4) Uani 0.373(9) d A 1 . U
C26A C 0.5219(11) 0.7863(3) 0.7802(8) 0.053(5) Uani 0.373(9) d A 1 G .
H26A H 0.5578 0.7922 0.7225 0.063 Uiso 0.373(9) calc A 1 R .
C27A C 0.5400(11) 0.8063(3) 0.8618(10) 0.052(5) Uani 0.373(9) d A 1 G .
H27A H 0.5882 0.8258 0.8599 0.063 Uiso 0.373(9) calc A 1 R .
C28A C 0.4875(13) 0.7977(3) 0.9462(8) 0.049(6) Uani 0.373(9) d A 1 G .
H28A H 0.4998 0.8113 1.0020 0.059 Uiso 0.373(9) calc A 1 R .
C29A C 0.4169(14) 0.7691(3) 0.9490(8) 0.047(6) Uani 0.373(9) d A 1 G .
H29A H 0.3811 0.7632 1.0067 0.057 Uiso 0.373(9) calc A 1 R .
C30A C 0.3989(12) 0.7491(3) 0.8674(10) 0.040(6) Uani 0.373(9) d A 1 G .
H30A H 0.3506 0.7295 0.8693 0.047 Uiso 0.373(9) calc A 1 R .
C25B C 0.4549(5) 0.75582(18) 0.8163(4) 0.024(2) Uani 0.627(9) d A 2 . U
C26B C 0.5498(5) 0.77573(17) 0.8391(4) 0.030(2) Uani 0.627(9) d A 2 G .
H26B H 0.6111 0.7765 0.7966 0.036 Uiso 0.627(9) calc A 2 R .
C27B C 0.5551(5) 0.79443(17) 0.9239(5) 0.035(2) Uani 0.627(9) d A 2 G .
H27B H 0.6199 0.8080 0.9395 0.042 Uiso 0.627(9) calc A 2 R .
C28B C 0.4654(7) 0.79323(18) 0.9860(4) 0.038(3) Uani 0.627(9) d A 2 G .
H28B H 0.4690 0.8060 1.0440 0.046 Uiso 0.627(9) calc A 2 R .
C29B C 0.3705(6) 0.7733(2) 0.9633(5) 0.035(3) Uani 0.627(9) d A 2 G .
H29B H 0.3092 0.7725 1.0057 0.041 Uiso 0.627(9) calc A 2 R .
C30B C 0.3652(5) 0.7546(2) 0.8784(5) 0.029(3) Uani 0.627(9) d A 2 G .
H30B H 0.3003 0.7410 0.8629 0.035 Uiso 0.627(9) calc A 2 R .
C31 C 0.3172(4) 0.70669(13) 0.6971(3) 0.0265(10) Uani 1 d A . . .
C32 C 0.2137(4) 0.72387(14) 0.6950(4) 0.0330(12) Uani 1 d . . . .
H32 H 0.2113 0.7483 0.6904 0.040 Uiso 1 calc . . R .
C33 C 0.1135(5) 0.70505(17) 0.6998(4) 0.0436(15) Uani 1 d . . . .
H33 H 0.0429 0.7168 0.6993 0.052 Uiso 1 calc . . R .
C34 C 0.1156(5) 0.67004(16) 0.7051(4) 0.0388(13) Uani 1 d . . . .
H34 H 0.0466 0.6575 0.7074 0.047 Uiso 1 calc . . R .
C35 C 0.2186(5) 0.65259(17) 0.7070(5) 0.0518(17) Uani 1 d . . . .
H35 H 0.2204 0.6282 0.7098 0.062 Uiso 1 calc . . R .
C36 C 0.3182(5) 0.67121(16) 0.7048(5) 0.0487(16) Uani 1 d . . . .
H36 H 0.3887 0.6594 0.7086 0.058 Uiso 1 calc . . R .
C37A C 0.4428(7) 0.76018(17) 0.6001(4) 0.029(3) Uani 0.627(9) d A 1 . .
C38A C 0.3840(8) 0.74954(19) 0.5176(5) 0.030(3) Uani 0.627(9) d A 1 G .
H38A H 0.3398 0.7291 0.5183 0.036 Uiso 0.627(9) calc A 1 R .
C39A C 0.3898(8) 0.7688(2) 0.4340(4) 0.039(3) Uani 0.627(9) d A 1 G .
H39A H 0.3496 0.7615 0.3776 0.047 Uiso 0.627(9) calc A 1 R .
C40A C 0.4544(7) 0.79868(19) 0.4329(4) 0.039(3) Uani 0.627(9) d A 1 G .
H40A H 0.4584 0.8118 0.3758 0.047 Uiso 0.627(9) calc A 1 R .
C41A C 0.5133(6) 0.80933(17) 0.5155(5) 0.050(3) Uani 0.627(9) d A 1 G .
H41A H 0.5575 0.8298 0.5147 0.060 Uiso 0.627(9) calc A 1 R .
C42A C 0.5075(6) 0.79008(18) 0.5991(4) 0.047(3) Uani 0.627(9) d A 1 G .
H42A H 0.5477 0.7974 0.6555 0.056 Uiso 0.627(9) calc A 1 R .
C37B C 0.4454(11) 0.7514(3) 0.5689(8) 0.027(4) Uani 0.373(9) d A 2 . .
C38B C 0.3501(10) 0.7505(4) 0.5079(12) 0.041(6) Uani 0.373(9) d A 2 G .
H38B H 0.2848 0.7380 0.5256 0.050 Uiso 0.373(9) calc A 2 R .
C39B C 0.3504(10) 0.7679(5) 0.4209(11) 0.050(7) Uani 0.373(9) d A 2 G .
H39B H 0.2853 0.7673 0.3791 0.060 Uiso 0.373(9) calc A 2 R .
C40B C 0.4460(12) 0.7861(4) 0.3949(7) 0.050(6) Uani 0.373(9) d A 2 G .
H40B H 0.4462 0.7980 0.3354 0.060 Uiso 0.373(9) calc A 2 R .
C41B C 0.5412(9) 0.7871(3) 0.4559(8) 0.053(5) Uani 0.373(9) d A 2 G .
H41B H 0.6065 0.7995 0.4382 0.064 Uiso 0.373(9) calc A 2 R .
C42B C 0.5409(9) 0.7697(3) 0.5430(8) 0.044(4) Uani 0.373(9) d A 2 G .
H42B H 0.6060 0.7703 0.5847 0.053 Uiso 0.373(9) calc A 2 R .
C43 C 0.5662(4) 0.70369(13) 0.6955(3) 0.0280(11) Uani 1 d A . . .
C44 C 0.6126(5) 0.69448(18) 0.6091(4) 0.0443(15) Uani 1 d . . . .
H44 H 0.5808 0.7030 0.5505 0.053 Uiso 1 calc . . R .
C45 C 0.7065(5) 0.67255(18) 0.6090(4) 0.0452(16) Uani 1 d . . . .
H45 H 0.7376 0.6657 0.5501 0.054 Uiso 1 calc . . R .
C46 C 0.7541(4) 0.66080(14) 0.6946(4) 0.0308(11) Uani 1 d . . . .
H46 H 0.8188 0.6462 0.6945 0.037 Uiso 1 calc . . R .
C47 C 0.7076(4) 0.67029(14) 0.7804(3) 0.0278(11) Uani 1 d . . . .
H47 H 0.7406 0.6622 0.8391 0.033 Uiso 1 calc . . R .
C48 C 0.6135(4) 0.69143(14) 0.7811(3) 0.0296(11) Uani 1 d . . . .
H48 H 0.5811 0.6976 0.8401 0.036 Uiso 1 calc . . R .
P2 P 0.44453(11) 0.73152(4) 0.69687(10) 0.0329(3) Uani 1 d . . . .
C1 C 0.9109(4) 0.43298(12) 0.4438(3) 0.0198(9) Uani 1 d . . . .
C2 C 0.8779(4) 0.41391(14) 0.5237(4) 0.0317(12) Uani 1 d . . . .
H2 H 0.8040 0.4168 0.5475 0.038 Uiso 1 calc . . R .
C3 C 0.9520(4) 0.39089(14) 0.5681(4) 0.0307(11) Uani 1 d . . . .
H3 H 0.9281 0.3778 0.6213 0.037 Uiso 1 calc . . R .
C4 C 1.0613(4) 0.38676(13) 0.5353(4) 0.0288(11) Uani 1 d . . . .
H4 H 1.1128 0.3713 0.5666 0.035 Uiso 1 calc . . R .
C5 C 1.0941(4) 0.40560(14) 0.4559(4) 0.0319(12) Uani 1 d . . . .
H5 H 1.1685 0.4029 0.4329 0.038 Uiso 1 calc . . R .
C6 C 1.0200(4) 0.42808(13) 0.4101(4) 0.0271(10) Uani 1 d . . . .
H6 H 1.0433 0.4403 0.3553 0.033 Uiso 1 calc . . R .
C7 C 0.7607(4) 0.49071(12) 0.4799(3) 0.0221(10) Uani 1 d . . . .
C8 C 0.8178(4) 0.49406(13) 0.5686(3) 0.0256(10) Uani 1 d . . . .
H8 H 0.8876 0.4824 0.5803 0.031 Uiso 1 calc . . R .
C9 C 0.7727(4) 0.51439(14) 0.6392(4) 0.0309(11) Uani 1 d . . . .
H9 H 0.8107 0.5163 0.6999 0.037 Uiso 1 calc . . R .
C10 C 0.6716(4) 0.53213(14) 0.6216(4) 0.0313(11) Uani 1 d . . . .
H10 H 0.6404 0.5460 0.6702 0.038 Uiso 1 calc . . R .
C11 C 0.6163(4) 0.52936(13) 0.5316(4) 0.0296(11) Uani 1 d . . . .
H11 H 0.5482 0.5418 0.5186 0.036 Uiso 1 calc . . R .
C12 C 0.6604(4) 0.50861(13) 0.4618(3) 0.0251(10) Uani 1 d . . . .
H12 H 0.6222 0.5066 0.4012 0.030 Uiso 1 calc . . R .
C13 C 0.8865(4) 0.48881(13) 0.3015(3) 0.0254(10) Uani 1 d . . . .
C14 C 0.9308(4) 0.47236(15) 0.2206(3) 0.0329(12) Uani 1 d . . . .
H14 H 0.9200 0.4484 0.2106 0.039 Uiso 1 calc . . R .
C15 C 0.9909(5) 0.49195(17) 0.1556(4) 0.0416(14) Uani 1 d . . . .
H15 H 1.0200 0.4814 0.1002 0.050 Uiso 1 calc . . R .
C16 C 1.0080(5) 0.52655(17) 0.1716(4) 0.0433(15) Uani 1 d . . . .
H16 H 1.0518 0.5394 0.1284 0.052 Uiso 1 calc . . R .
C17 C 0.9628(4) 0.54276(15) 0.2489(4) 0.0377(13) Uani 1 d . . . .
H17 H 0.9723 0.5669 0.2572 0.045 Uiso 1 calc . . R .
C18 C 0.9024(4) 0.52348(14) 0.3160(4) 0.0291(11) Uani 1 d . . . .
H18 H 0.8729 0.5344 0.3708 0.035 Uiso 1 calc . . R .
C19 C 0.6947(4) 0.44148(12) 0.3322(3) 0.0205(9) Uani 1 d . . . .
C20 C 0.6277(4) 0.42086(13) 0.3899(3) 0.0252(10) Uani 1 d . . . .
H20 H 0.6443 0.4191 0.4567 0.030 Uiso 1 calc . . R .
C21 C 0.5368(4) 0.40292(13) 0.3488(4) 0.0271(10) Uani 1 d . . . .
H21 H 0.4913 0.3887 0.3873 0.032 Uiso 1 calc . . R .
C22 C 0.5124(4) 0.40590(13) 0.2500(4) 0.0277(11) Uani 1 d . . . .
H22 H 0.4509 0.3934 0.2216 0.033 Uiso 1 calc . . R .
C23 C 0.5773(4) 0.42693(15) 0.1942(4) 0.0358(13) Uani 1 d . . . .
H23 H 0.5598 0.4290 0.1276 0.043 Uiso 1 calc . . R .
C24 C 0.6678(4) 0.44502(14) 0.2346(4) 0.0298(11) Uani 1 d . . . .
H24 H 0.7115 0.4598 0.1961 0.036 Uiso 1 calc . . R .
P1 P 0.81418(9) 0.46323(3) 0.38817(8) 0.0205(2) Uani 1 d . . . .
B1 B 0.4351(4) 0.59768(15) 0.1228(4) 0.0238(11) Uani 1 d . . . .
B2 B 0.5663(4) 0.59572(16) 0.1944(4) 0.0244(11) Uani 1 d . . . .
B3 B 0.4345(4) 0.59874(14) 0.2530(4) 0.0212(11) Uani 1 d . . . .
B4 B 0.3462(4) 0.62769(15) 0.1853(4) 0.0241(11) Uani 1 d . . . .
B5 B 0.4230(5) 0.64204(15) 0.0853(4) 0.0272(12) Uani 1 d . . . .
B6 B 0.5576(5) 0.62223(16) 0.0916(4) 0.0267(12) Uani 1 d . . . .
B7 B 0.5426(5) 0.66577(16) 0.1296(4) 0.0293(13) Uani 1 d . . . .
B8 B 0.6320(4) 0.63708(17) 0.1976(4) 0.0286(13) Uani 1 d . . . .
B9 B 0.5545(5) 0.62229(16) 0.2968(3) 0.0252(12) Uani 1 d . . . .
B10 B 0.4193(5) 0.64219(15) 0.2923(4) 0.0241(11) Uani 1 d . . . .
B11 B 0.4113(5) 0.66902(15) 0.1888(4) 0.0269(12) Uani 1 d . . . .
B12 B 0.5413(5) 0.66578(16) 0.2574(4) 0.0267(12) Uani 1 d . . . .
C49 C 0.2974(6) 0.5552(2) 0.0576(5) 0.064(2) Uani 1 d . . . .
H49A H 0.2479 0.5684 0.0124 0.076 Uiso 1 calc . . R .
H49B H 0.2630 0.5559 0.1213 0.076 Uiso 1 calc . . R .
C50 C 0.3038(6) 0.51833(18) 0.0243(5) 0.0590(18) Uani 1 d . . . .
H50A H 0.2256 0.5103 0.0094 0.071 Uiso 1 calc . . R .
H50B H 0.3451 0.5180 -0.0363 0.071 Uiso 1 calc . . R .
C51 C 0.3584(11) 0.4932(3) 0.0904(6) 0.112(4) Uani 1 d . . . .
H51A H 0.4333 0.5017 0.1112 0.168 Uiso 1 calc . . GR .
H51B H 0.3666 0.4711 0.0574 0.168 Uiso 1 calc . . GR .
H51C H 0.3114 0.4901 0.1463 0.168 Uiso 1 calc . . GR .
O1 O 0.4011(3) 0.57019(10) 0.0633(2) 0.0333(8) Uani 1 d . . . .
Br1 Br 0.59996(5) 0.704061(15) 0.33496(4) 0.03993(15) Uani 1 d . . . .
Br2 Br 0.65597(5) 0.553139(16) 0.19641(4) 0.03824(15) Uani 1 d . . . .
Br3 Br 0.37555(4) 0.559833(13) 0.32415(3) 0.02895(12) Uani 1 d . . . .
Br4 Br 0.17955(4) 0.624142(15) 0.18261(4) 0.03300(13) Uani 1 d . . . .
Br5 Br 0.34582(5) 0.653683(15) -0.03733(4) 0.03606(14) Uani 1 d . . . .
Br6 Br 0.64009(4) 0.610826(16) -0.02410(3) 0.03575(14) Uani 1 d . . . .
Br7 Br 0.60417(6) 0.703958(16) 0.05661(4) 0.04510(17) Uani 1 d . . . .
Br8 Br 0.79683(4) 0.642991(19) 0.20604(4) 0.04582(18) Uani 1 d . . . .
Br9 Br 0.63080(4) 0.610135(16) 0.41862(3) 0.03380(14) Uani 1 d . . . .
Br10 Br 0.34177(4) 0.653184(14) 0.41051(3) 0.02964(13) Uani 1 d . . . .
Br11 Br 0.32424(5) 0.712193(15) 0.18594(4) 0.04047(15) Uani 1 d . . . .
C52 C 0.9334(8) 0.6042(3) 0.8963(6) 0.094(4) Uani 1 d . . . .
C53 C 0.9408(10) 0.6030(5) 1.0001(6) 0.187(9) Uani 1 d . . . .
H53A H 0.9462 0.6264 1.0256 0.280 Uiso 1 calc . . GR .
H53B H 1.0083 0.5899 1.0206 0.280 Uiso 1 calc . . GR .
H53C H 0.8730 0.5917 1.0241 0.280 Uiso 1 calc . . GR .
N1 N 0.9282(8) 0.6041(2) 0.8177(5) 0.110(3) Uani 1 d . . . .


_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
C25A C26A 1.3900 . ?
C25A C30A 1.3900 . ?
C25A P2 1.576(10) . ?
C26A C27A 1.3900 . ?
C27A C28A 1.3900 . ?
C28A C29A 1.3900 . ?
C29A C30A 1.3900 . ?
C25B C26B 1.3900 . ?
C25B C30B 1.3900 . ?
C25B P2 1.918(5) . ?
C26B C27B 1.3900 . ?
C27B C28B 1.3900 . ?
C28B C29B 1.3900 . ?
C29B C30B 1.3900 . ?
C31 C32 1.392(7) . ?
C31 C36 1.383(8) . ?
C31 P2 1.786(5) . ?
C32 C33 1.393(8) . ?
C33 C34 1.362(9) . ?
C34 C35 1.392(8) . ?
C35 C36 1.382(9) . ?
C37A C38A 1.3900 . ?
C37A C42A 1.3900 . ?
C37A P2 1.751(5) . ?
C38A C39A 1.3900 . ?
C39A C40A 1.3900 . ?
C40A C41A 1.3900 . ?
C41A C42A 1.3900 . ?
C37B C38B 1.3900 . ?
C37B C42B 1.3900 . ?
C37B P2 1.948(10) . ?
C38B C39B 1.3900 . ?
C39B C40B 1.3900 . ?
C40B C41B 1.3900 . ?
C41B C42B 1.3900 . ?
C43 C44 1.388(7) . ?
C43 C48 1.387(7) . ?
C43 P2 1.799(5) . ?
C44 C45 1.398(8) . ?
C45 C46 1.383(7) . ?
C46 C47 1.383(7) . ?
C47 C48 1.382(7) . ?
C1 C2 1.404(7) . ?
C1 C6 1.398(6) . ?
C1 P1 1.798(5) . ?
C2 C3 1.384(7) . ?
C3 C4 1.391(7) . ?
C4 C5 1.394(7) . ?
C5 C6 1.378(7) . ?
C7 C8 1.398(6) . ?
C7 C12 1.389(7) . ?
C7 P1 1.797(5) . ?
C8 C9 1.383(7) . ?
C9 C10 1.392(7) . ?
C10 C11 1.403(7) . ?
C11 C12 1.380(7) . ?
C13 C14 1.413(7) . ?
C13 C18 1.374(7) . ?
C13 P1 1.802(5) . ?
C14 C15 1.394(7) . ?
C15 C16 1.377(9) . ?
C16 C17 1.372(9) . ?
C17 C18 1.411(7) . ?
C19 C20 1.398(6) . ?
C19 C24 1.397(6) . ?
C19 P1 1.802(4) . ?
C20 C21 1.388(7) . ?
C21 C22 1.406(7) . ?
C22 C23 1.378(7) . ?
C23 C24 1.384(7) . ?
B1 B2 1.819(7) . ?
B1 B3 1.820(7) . ?
B1 B4 1.810(8) . ?
B1 B5 1.806(8) . ?
B1 B6 1.797(7) . ?
B1 O1 1.404(6) . ?
B2 B3 1.784(7) . ?
B2 B6 1.768(8) . ?
B2 B8 1.784(8) . ?
B2 B9 1.773(8) . ?
B2 Br2 1.964(6) . ?
B3 B4 1.785(7) . ?
B3 B9 1.779(7) . ?
B3 B10 1.785(8) . ?
B3 Br3 1.949(5) . ?
B4 B5 1.779(8) . ?
B4 B10 1.793(7) . ?
B4 B11 1.780(8) . ?
B4 Br4 1.971(5) . ?
B5 B6 1.765(8) . ?
B5 B7 1.781(8) . ?
B5 B11 1.795(8) . ?
B5 Br5 1.967(5) . ?
B6 B7 1.783(9) . ?
B6 B8 1.793(7) . ?
B6 Br6 1.963(6) . ?
B7 B8 1.787(9) . ?
B7 B11 1.784(8) . ?
B7 B12 1.786(7) . ?
B7 Br7 1.953(5) . ?
B8 B9 1.779(7) . ?
B8 B12 1.773(9) . ?
B8 Br8 1.959(5) . ?
B9 B10 1.773(8) . ?
B9 B12 1.782(8) . ?
B9 Br9 1.958(5) . ?
B10 B11 1.782(7) . ?
B10 B12 1.787(7) . ?
B10 Br10 1.960(6) . ?
B11 B12 1.788(8) . ?
B11 Br11 1.967(6) . ?
B12 Br1 1.954(6) . ?
C49 C50 1.508(10) . ?
C49 O1 1.356(8) . ?
C50 C51 1.478(11) . ?
C52 C53 1.450(11) . ?
C52 N1 1.097(10) . ?

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
C26A C25A C30A 120.0 . . ?
C26A C25A P2 120.8(8) . . ?
C30A C25A P2 118.6(8) . . ?
C25A C26A C27A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C30A C29A C28A 120.0 . . ?
C29A C30A C25A 120.0 . . ?
C26B C25B C30B 120.0 . . ?
C26B C25B P2 120.1(4) . . ?
C30B C25B P2 119.8(4) . . ?
C27B C26B C25B 120.0 . . ?
C26B C27B C28B 120.0 . . ?
C27B C28B C29B 120.0 . . ?
C28B C29B C30B 120.0 . . ?
C29B C30B C25B 120.0 . . ?
C32 C31 P2 118.6(4) . . ?
C36 C31 C32 119.0(5) . . ?
C36 C31 P2 122.3(4) . . ?
C31 C32 C33 119.5(5) . . ?
C34 C33 C32 120.8(5) . . ?
C33 C34 C35 120.1(5) . . ?
C36 C35 C34 119.2(6) . . ?
C35 C36 C31 121.2(6) . . ?
C38A C37A C42A 120.0 . . ?
C38A C37A P2 116.4(4) . . ?
C42A C37A P2 123.1(4) . . ?
C37A C38A C39A 120.0 . . ?
C40A C39A C38A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C40A C41A C42A 120.0 . . ?
C41A C42A C37A 120.0 . . ?
C38B C37B C42B 120.0 . . ?
C38B C37B P2 121.7(7) . . ?
C42B C37B P2 118.0(7) . . ?
C37B C38B C39B 120.0 . . ?
C40B C39B C38B 120.0 . . ?
C41B C40B C39B 120.0 . . ?
C40B C41B C42B 120.0 . . ?
C41B C42B C37B 120.0 . . ?
C44 C43 P2 120.1(4) . . ?
C48 C43 C44 120.2(5) . . ?
C48 C43 P2 119.8(4) . . ?
C43 C44 C45 119.5(5) . . ?
C46 C45 C44 120.1(5) . . ?
C45 C46 C47 119.9(5) . . ?
C48 C47 C46 120.4(4) . . ?
C47 C48 C43 119.9(5) . . ?
C25A P2 C31 111.7(5) . . ?
C25A P2 C37A 100.2(5) . . ?
C25A P2 C37B 116.2(6) . . ?
C25A P2 C43 112.0(5) . . ?
C25B P2 C37B 126.9(5) . . ?
C31 P2 C25B 107.2(3) . . ?
C31 P2 C37B 104.2(4) . . ?
C31 P2 C43 110.3(2) . . ?
C37A P2 C25B 110.9(3) . . ?
C37A P2 C31 110.8(3) . . ?
C37A P2 C43 111.4(3) . . ?
C43 P2 C25B 106.0(3) . . ?
C43 P2 C37B 101.7(4) . . ?
C2 C1 P1 120.1(3) . . ?
C6 C1 C2 118.4(4) . . ?
C6 C1 P1 121.5(4) . . ?
C3 C2 C1 120.7(4) . . ?
C2 C3 C4 120.4(5) . . ?
C3 C4 C5 119.0(5) . . ?
C6 C5 C4 120.9(5) . . ?
C5 C6 C1 120.5(5) . . ?
C8 C7 P1 121.1(4) . . ?
C12 C7 C8 120.0(4) . . ?
C12 C7 P1 118.9(3) . . ?
C9 C8 C7 119.9(4) . . ?
C8 C9 C10 120.3(5) . . ?
C9 C10 C11 119.5(5) . . ?
C12 C11 C10 120.2(5) . . ?
C11 C12 C7 120.1(4) . . ?
C14 C13 P1 118.9(4) . . ?
C18 C13 C14 120.6(5) . . ?
C18 C13 P1 120.4(4) . . ?
C15 C14 C13 118.8(5) . . ?
C16 C15 C14 120.2(6) . . ?
C17 C16 C15 121.2(5) . . ?
C16 C17 C18 119.7(6) . . ?
C13 C18 C17 119.4(5) . . ?
C20 C19 P1 117.9(3) . . ?
C24 C19 C20 120.2(4) . . ?
C24 C19 P1 121.9(4) . . ?
C21 C20 C19 119.5(4) . . ?
C20 C21 C22 119.8(5) . . ?
C23 C22 C21 120.2(4) . . ?
C22 C23 C24 120.5(5) . . ?
C23 C24 C19 119.8(5) . . ?
C1 P1 C13 110.1(2) . . ?
C1 P1 C19 111.0(2) . . ?
C7 P1 C1 108.2(2) . . ?
C7 P1 C13 109.6(2) . . ?
C7 P1 C19 107.5(2) . . ?
C13 P1 C19 110.4(2) . . ?
B2 B1 B3 58.7(3) . . ?
B4 B1 B2 105.0(4) . . ?
B4 B1 B3 58.9(3) . . ?
B5 B1 B2 104.9(4) . . ?
B5 B1 B3 105.4(4) . . ?
B5 B1 B4 58.9(3) . . ?
B6 B1 B2 58.5(3) . . ?
B6 B1 B3 105.0(4) . . ?
B6 B1 B4 104.9(4) . . ?
B6 B1 B5 58.6(3) . . ?
O1 B1 B2 121.1(4) . . ?
O1 B1 B3 126.8(4) . . ?
O1 B1 B4 128.0(4) . . ?
O1 B1 B5 122.4(4) . . ?
O1 B1 B6 118.5(4) . . ?
B1 B2 Br2 119.5(4) . . ?
B3 B2 B1 60.7(3) . . ?
B3 B2 Br2 121.8(3) . . ?
B6 B2 B1 60.1(3) . . ?
B6 B2 B3 107.8(4) . . ?
B6 B2 B8 60.6(3) . . ?
B6 B2 B9 108.2(4) . . ?
B6 B2 Br2 121.3(4) . . ?
B8 B2 B1 109.7(4) . . ?
B8 B2 B3 108.3(4) . . ?
B8 B2 Br2 121.7(3) . . ?
B9 B2 B1 109.4(4) . . ?
B9 B2 B3 60.0(3) . . ?
B9 B2 B8 60.0(3) . . ?
B9 B2 Br2 122.3(3) . . ?
B1 B3 Br3 120.3(3) . . ?
B2 B3 B1 60.6(3) . . ?
B2 B3 B4 107.5(4) . . ?
B2 B3 B10 107.5(4) . . ?
B2 B3 Br3 120.9(3) . . ?
B4 B3 B1 60.3(3) . . ?
B4 B3 B10 60.3(3) . . ?
B4 B3 Br3 123.2(3) . . ?
B9 B3 B1 109.1(4) . . ?
B9 B3 B2 59.7(3) . . ?
B9 B3 B4 107.7(4) . . ?
B9 B3 B10 59.7(3) . . ?
B9 B3 Br3 121.1(3) . . ?
B10 B3 B1 109.4(4) . . ?
B10 B3 Br3 122.4(3) . . ?
B1 B4 Br4 122.6(3) . . ?
B3 B4 B1 60.8(3) . . ?
B3 B4 B10 59.9(3) . . ?
B3 B4 Br4 122.1(3) . . ?
B5 B4 B1 60.4(3) . . ?
B5 B4 B3 108.1(4) . . ?
B5 B4 B10 108.2(4) . . ?
B5 B4 B11 60.6(3) . . ?
B5 B4 Br4 122.7(3) . . ?
B10 B4 B1 109.5(4) . . ?
B10 B4 Br4 119.5(3) . . ?
B11 B4 B1 109.8(4) . . ?
B11 B4 B3 108.0(4) . . ?
B11 B4 B10 59.8(3) . . ?
B11 B4 Br4 119.6(4) . . ?
B1 B5 Br5 120.1(3) . . ?
B4 B5 B1 60.7(3) . . ?
B4 B5 B7 107.9(4) . . ?
B4 B5 B11 59.8(3) . . ?
B4 B5 Br5 121.5(3) . . ?
B6 B5 B1 60.4(3) . . ?
B6 B5 B4 107.7(4) . . ?
B6 B5 B7 60.4(3) . . ?
B6 B5 B11 107.8(4) . . ?
B6 B5 Br5 122.4(4) . . ?
B7 B5 B1 109.8(4) . . ?
B7 B5 B11 59.8(3) . . ?
B7 B5 Br5 121.6(3) . . ?
B11 B5 B1 109.3(4) . . ?
B11 B5 Br5 121.5(4) . . ?
B1 B6 Br6 120.2(4) . . ?
B2 B6 B1 61.4(3) . . ?
B2 B6 B7 108.3(4) . . ?
B2 B6 B8 60.2(3) . . ?
B2 B6 Br6 121.3(4) . . ?
B5 B6 B1 60.9(3) . . ?
B5 B6 B2 108.9(4) . . ?
B5 B6 B7 60.3(3) . . ?
B5 B6 B8 108.5(4) . . ?
B5 B6 Br6 121.7(3) . . ?
B7 B6 B1 110.1(4) . . ?
B7 B6 B8 60.0(3) . . ?
B7 B6 Br6 121.0(3) . . ?
B8 B6 B1 110.3(4) . . ?
B8 B6 Br6 120.6(3) . . ?
B5 B7 B6 59.4(3) . . ?
B5 B7 B8 108.1(4) . . ?
B5 B7 B11 60.5(3) . . ?
B5 B7 B12 108.4(4) . . ?
B5 B7 Br7 121.0(3) . . ?
B6 B7 B8 60.3(3) . . ?
B6 B7 B11 107.5(4) . . ?
B6 B7 B12 107.6(4) . . ?
B6 B7 Br7 121.6(4) . . ?
B8 B7 Br7 121.9(4) . . ?
B11 B7 B8 107.7(4) . . ?
B11 B7 B12 60.1(3) . . ?
B11 B7 Br7 122.1(4) . . ?
B12 B7 B8 59.5(3) . . ?
B12 B7 Br7 122.4(4) . . ?
B2 B8 B6 59.2(3) . . ?
B2 B8 B7 107.4(4) . . ?
B2 B8 Br8 122.5(4) . . ?
B6 B8 Br8 123.2(4) . . ?
B7 B8 B6 59.8(3) . . ?
B7 B8 Br8 121.8(3) . . ?
B9 B8 B2 59.7(3) . . ?
B9 B8 B6 106.8(4) . . ?
B9 B8 B7 107.8(4) . . ?
B9 B8 Br8 121.6(3) . . ?
B12 B8 B2 108.0(4) . . ?
B12 B8 B6 107.7(4) . . ?
B12 B8 B7 60.2(3) . . ?
B12 B8 B9 60.2(3) . . ?
B12 B8 Br8 120.7(4) . . ?
B2 B9 B3 60.3(3) . . ?
B2 B9 B8 60.3(3) . . ?
B2 B9 B12 108.2(4) . . ?
B2 B9 Br9 121.0(4) . . ?
B3 B9 B8 108.8(3) . . ?
B3 B9 B12 108.7(4) . . ?
B3 B9 Br9 121.0(3) . . ?
B8 B9 B12 59.7(3) . . ?
B8 B9 Br9 121.4(3) . . ?
B10 B9 B2 108.6(4) . . ?
B10 B9 B3 60.4(3) . . ?
B10 B9 B8 108.4(4) . . ?
B10 B9 B12 60.4(3) . . ?
B10 B9 Br9 121.7(3) . . ?
B12 B9 Br9 122.0(3) . . ?
B3 B10 B4 59.8(3) . . ?
B3 B10 B12 108.2(4) . . ?
B3 B10 Br10 121.3(3) . . ?
B4 B10 Br10 123.1(3) . . ?
B9 B10 B3 60.0(3) . . ?
B9 B10 B4 107.6(4) . . ?
B9 B10 B11 108.0(4) . . ?
B9 B10 B12 60.1(3) . . ?
B9 B10 Br10 120.6(3) . . ?
B11 B10 B3 107.9(4) . . ?
B11 B10 B4 59.7(3) . . ?
B11 B10 B12 60.1(3) . . ?
B11 B10 Br10 122.8(4) . . ?
B12 B10 B4 107.8(4) . . ?
B12 B10 Br10 121.3(4) . . ?
B4 B11 B5 59.7(3) . . ?
B4 B11 B7 107.7(4) . . ?
B4 B11 B10 60.5(3) . . ?
B4 B11 B12 108.3(4) . . ?
B4 B11 Br11 122.9(4) . . ?
B5 B11 Br11 122.3(3) . . ?
B7 B11 B5 59.7(3) . . ?
B7 B11 B12 60.0(3) . . ?
B7 B11 Br11 120.8(3) . . ?
B10 B11 B5 108.0(4) . . ?
B10 B11 B7 108.0(4) . . ?
B10 B11 B12 60.1(3) . . ?
B10 B11 Br11 122.0(4) . . ?
B12 B11 B5 107.7(4) . . ?
B12 B11 Br11 120.7(4) . . ?
B7 B12 B10 107.7(4) . . ?
B7 B12 B11 59.9(3) . . ?
B7 B12 Br1 122.7(3) . . ?
B8 B12 B7 60.3(3) . . ?
B8 B12 B9 60.1(3) . . ?
B8 B12 B10 108.0(4) . . ?
B8 B12 B11 108.2(4) . . ?
B8 B12 Br1 122.1(3) . . ?
B9 B12 B7 107.7(4) . . ?
B9 B12 B10 59.5(3) . . ?
B9 B12 B11 107.3(4) . . ?
B9 B12 Br1 121.6(3) . . ?
B10 B12 B11 59.8(3) . . ?
B10 B12 Br1 120.9(4) . . ?
B11 B12 Br1 121.8(4) . . ?
O1 C49 C50 111.9(6) . . ?
C51 C50 C49 117.4(7) . . ?
C49 O1 B1 127.1(5) . . ?
N1 C52 C53 177.8(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C25A C26A C27A C28A 0.0 . . . . ?
C26A C25A C30A C29A 0.0 . . . . ?
C26A C25A P2 C25B 134(4) . . . . ?
C26A C25A P2 C31 -159.5(7) . . . . ?
C26A C25A P2 C37A -42.0(9) . . . . ?
C26A C25A P2 C37B -40.1(10) . . . . ?
C26A C25A P2 C43 76.2(8) . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
C28A C29A C30A C25A 0.0 . . . . ?
C30A C25A C26A C27A 0.0 . . . . ?
C30A C25A P2 C25B -37(3) . . . . ?
C30A C25A P2 C31 30.0(9) . . . . ?
C30A C25A P2 C37A 147.5(8) . . . . ?
C30A C25A P2 C37B 149.4(8) . . . . ?
C30A C25A P2 C43 -94.4(8) . . . . ?
C25B C26B C27B C28B 0.0 . . . . ?
C26B C25B C30B C29B 0.0 . . . . ?
C26B C25B P2 C25A -67(3) . . . . ?
C26B C25B P2 C31 175.9(4) . . . . ?
C26B C25B P2 C37A -63.0(6) . . . . ?
C26B C25B P2 C37B -60.5(7) . . . . ?
C26B C25B P2 C43 58.1(5) . . . . ?
C26B C27B C28B C29B 0.0 . . . . ?
C27B C28B C29B C30B 0.0 . . . . ?
C28B C29B C30B C25B 0.0 . . . . ?
C30B C25B C26B C27B 0.0 . . . . ?
C30B C25B P2 C25A 110(3) . . . . ?
C30B C25B P2 C31 -6.7(4) . . . . ?
C30B C25B P2 C37A 114.4(5) . . . . ?
C30B C25B P2 C37B 116.8(6) . . . . ?
C30B C25B P2 C43 -124.6(4) . . . . ?
C31 C32 C33 C34 -0.9(9) . . . . ?
C32 C31 C36 C35 2.3(10) . . . . ?
C32 C31 P2 C25A 56.7(7) . . . . ?
C32 C31 P2 C25B 67.1(5) . . . . ?
C32 C31 P2 C37A -54.1(5) . . . . ?
C32 C31 P2 C37B -69.5(6) . . . . ?
C32 C31 P2 C43 -178.0(4) . . . . ?
C32 C33 C34 C35 0.8(9) . . . . ?
C33 C34 C35 C36 0.8(10) . . . . ?
C34 C35 C36 C31 -2.4(11) . . . . ?
C36 C31 C32 C33 -0.6(8) . . . . ?
C36 C31 P2 C25A -119.5(7) . . . . ?
C36 C31 P2 C25B -109.2(5) . . . . ?
C36 C31 P2 C37A 129.6(5) . . . . ?
C36 C31 P2 C37B 114.2(6) . . . . ?
C36 C31 P2 C43 5.8(6) . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C38A C37A C42A C41A 0.0 . . . . ?
C38A C37A P2 C25A -149.4(6) . . . . ?
C38A C37A P2 C25B -150.2(4) . . . . ?
C38A C37A P2 C31 -31.2(5) . . . . ?
C38A C37A P2 C37B 36.8(19) . . . . ?
C38A C37A P2 C43 92.0(5) . . . . ?
C38A C39A C40A C41A 0.0 . . . . ?
C39A C40A C41A C42A 0.0 . . . . ?
C40A C41A C42A C37A 0.0 . . . . ?
C42A C37A C38A C39A 0.0 . . . . ?
C42A C37A P2 C25A 38.7(7) . . . . ?
C42A C37A P2 C25B 37.9(6) . . . . ?
C42A C37A P2 C31 156.8(5) . . . . ?
C42A C37A P2 C37B -135(2) . . . . ?
C42A C37A P2 C43 -80.0(5) . . . . ?
C37B C38B C39B C40B 0.0 . . . . ?
C38B C37B C42B C41B 0.0 . . . . ?
C38B C37B P2 C25A -111.0(9) . . . . ?
C38B C37B P2 C25B -112.4(8) . . . . ?
C38B C37B P2 C31 12.4(8) . . . . ?
C38B C37B P2 C37A -104(2) . . . . ?
C38B C37B P2 C43 127.1(7) . . . . ?
C38B C39B C40B C41B 0.0 . . . . ?
C39B C40B C41B C42B 0.0 . . . . ?
C40B C41B C42B C37B 0.0 . . . . ?
C42B C37B C38B C39B 0.0 . . . . ?
C42B C37B P2 C25A 62.9(10) . . . . ?
C42B C37B P2 C25B 61.5(9) . . . . ?
C42B C37B P2 C31 -173.7(7) . . . . ?
C42B C37B P2 C37A 69.7(19) . . . . ?
C42B C37B P2 C43 -59.0(8) . . . . ?
C43 C44 C45 C46 -1.5(10) . . . . ?
C44 C43 C48 C47 0.7(8) . . . . ?
C44 C43 P2 C25A -141.8(7) . . . . ?
C44 C43 P2 C25B -151.3(5) . . . . ?
C44 C43 P2 C31 93.0(5) . . . . ?
C44 C43 P2 C37A -30.5(6) . . . . ?
C44 C43 P2 C37B -17.0(7) . . . . ?
C44 C45 C46 C47 1.1(10) . . . . ?
C45 C46 C47 C48 0.2(8) . . . . ?
C46 C47 C48 C43 -1.0(8) . . . . ?
C48 C43 C44 C45 0.6(9) . . . . ?
C48 C43 P2 C25A 38.3(7) . . . . ?
C48 C43 P2 C25B 28.8(5) . . . . ?
C48 C43 P2 C31 -86.9(5) . . . . ?
C48 C43 P2 C37A 149.6(5) . . . . ?
C48 C43 P2 C37B 163.1(6) . . . . ?
P2 C25A C26A C27A -170.4(11) . . . . ?
P2 C25A C30A C29A 170.6(11) . . . . ?
P2 C25B C26B C27B 177.4(6) . . . . ?
P2 C25B C30B C29B -177.4(6) . . . . ?
P2 C31 C32 C33 -177.0(4) . . . . ?
P2 C31 C36 C35 178.5(5) . . . . ?
P2 C37A C38A C39A -172.2(6) . . . . ?
P2 C37A C42A C41A 171.7(6) . . . . ?
P2 C37B C38B C39B 173.8(9) . . . . ?
P2 C37B C42B C41B -174.0(9) . . . . ?
P2 C43 C44 C45 -179.4(5) . . . . ?
P2 C43 C48 C47 -179.4(4) . . . . ?
C1 C2 C3 C4 1.2(8) . . . . ?
C2 C1 C6 C5 -1.5(7) . . . . ?
C2 C1 P1 C7 50.6(4) . . . . ?
C2 C1 P1 C13 170.4(4) . . . . ?
C2 C1 P1 C19 -67.1(4) . . . . ?
C2 C3 C4 C5 -1.4(8) . . . . ?
C3 C4 C5 C6 0.1(8) . . . . ?
C4 C5 C6 C1 1.3(8) . . . . ?
C6 C1 C2 C3 0.2(8) . . . . ?
C6 C1 P1 C7 -128.6(4) . . . . ?
C6 C1 P1 C13 -8.8(5) . . . . ?
C6 C1 P1 C19 113.7(4) . . . . ?
C7 C8 C9 C10 -1.4(8) . . . . ?
C8 C7 C12 C11 -0.8(7) . . . . ?
C8 C7 P1 C1 19.7(5) . . . . ?
C8 C7 P1 C13 -100.4(4) . . . . ?
C8 C7 P1 C19 139.7(4) . . . . ?
C8 C9 C10 C11 -0.3(8) . . . . ?
C9 C10 C11 C12 1.4(8) . . . . ?
C10 C11 C12 C7 -0.9(8) . . . . ?
C12 C7 C8 C9 1.9(7) . . . . ?
C12 C7 P1 C1 -159.8(4) . . . . ?
C12 C7 P1 C13 80.1(4) . . . . ?
C12 C7 P1 C19 -39.9(4) . . . . ?
C13 C14 C15 C16 1.2(8) . . . . ?
C14 C13 C18 C17 0.5(7) . . . . ?
C14 C13 P1 C1 63.9(4) . . . . ?
C14 C13 P1 C7 -177.2(4) . . . . ?
C14 C13 P1 C19 -59.0(4) . . . . ?
C14 C15 C16 C17 -2.7(9) . . . . ?
C15 C16 C17 C18 3.1(8) . . . . ?
C16 C17 C18 C13 -2.0(7) . . . . ?
C18 C13 C14 C15 -0.1(7) . . . . ?
C18 C13 P1 C1 -113.3(4) . . . . ?
C18 C13 P1 C7 5.6(4) . . . . ?
C18 C13 P1 C19 123.8(4) . . . . ?
C19 C20 C21 C22 -0.6(7) . . . . ?
C20 C19 C24 C23 -2.6(8) . . . . ?
C20 C19 P1 C1 58.7(4) . . . . ?
C20 C19 P1 C7 -59.5(4) . . . . ?
C20 C19 P1 C13 -179.0(4) . . . . ?
C20 C21 C22 C23 -0.9(8) . . . . ?
C21 C22 C23 C24 0.7(8) . . . . ?
C22 C23 C24 C19 1.1(9) . . . . ?
C24 C19 C20 C21 2.4(7) . . . . ?
C24 C19 P1 C1 -121.9(4) . . . . ?
C24 C19 P1 C7 120.0(4) . . . . ?
C24 C19 P1 C13 0.5(5) . . . . ?
P1 C1 C2 C3 -179.1(4) . . . . ?
P1 C1 C6 C5 177.8(4) . . . . ?
P1 C7 C8 C9 -177.6(4) . . . . ?
P1 C7 C12 C11 178.7(4) . . . . ?
P1 C13 C14 C15 -177.3(4) . . . . ?
P1 C13 C18 C17 177.7(3) . . . . ?
P1 C19 C20 C21 -178.2(4) . . . . ?
P1 C19 C24 C23 177.9(4) . . . . ?
B1 B2 B3 B4 -39.3(4) . . . . ?
B1 B2 B3 B9 -139.9(4) . . . . ?
B1 B2 B3 B10 -102.8(4) . . . . ?
B1 B2 B3 Br3 109.7(4) . . . . ?
B1 B2 B6 B5 39.4(4) . . . . ?
B1 B2 B6 B7 103.4(4) . . . . ?
B1 B2 B6 B8 140.4(4) . . . . ?
B1 B2 B6 Br6 -109.8(4) . . . . ?
B1 B2 B8 B6 -36.0(4) . . . . ?
B1 B2 B8 B7 0.7(5) . . . . ?
B1 B2 B8 B9 101.6(4) . . . . ?
B1 B2 B8 B12 64.3(5) . . . . ?
B1 B2 B8 Br8 -148.1(3) . . . . ?
B1 B2 B9 B3 36.5(4) . . . . ?
B1 B2 B9 B8 -102.1(4) . . . . ?
B1 B2 B9 B10 -1.1(5) . . . . ?
B1 B2 B9 B12 -65.1(5) . . . . ?
B1 B2 B9 Br9 146.9(3) . . . . ?
B1 B3 B4 B5 -39.0(4) . . . . ?
B1 B3 B4 B10 -139.9(4) . . . . ?
B1 B3 B4 B11 -103.1(4) . . . . ?
B1 B3 B4 Br4 112.2(4) . . . . ?
B1 B3 B9 B2 -36.4(4) . . . . ?
B1 B3 B9 B8 0.8(6) . . . . ?
B1 B3 B9 B10 101.8(4) . . . . ?
B1 B3 B9 B12 64.3(5) . . . . ?
B1 B3 B9 Br9 -146.9(4) . . . . ?
B1 B3 B10 B4 36.3(3) . . . . ?
B1 B3 B10 B9 -101.3(4) . . . . ?
B1 B3 B10 B11 -0.5(5) . . . . ?
B1 B3 B10 B12 -64.0(4) . . . . ?
B1 B3 B10 Br10 149.0(3) . . . . ?
B1 B4 B5 B6 -39.3(4) . . . . ?
B1 B4 B5 B7 -103.1(4) . . . . ?
B1 B4 B5 B11 -140.1(4) . . . . ?
B1 B4 B5 Br5 109.4(4) . . . . ?
B1 B4 B10 B3 -36.6(4) . . . . ?
B1 B4 B10 B9 1.1(5) . . . . ?
B1 B4 B10 B11 102.1(4) . . . . ?
B1 B4 B10 B12 64.5(5) . . . . ?
B1 B4 B10 Br10 -146.3(4) . . . . ?
B1 B4 B11 B5 36.4(4) . . . . ?
B1 B4 B11 B7 -0.4(5) . . . . ?
B1 B4 B11 B10 -101.6(4) . . . . ?
B1 B4 B11 B12 -63.9(5) . . . . ?
B1 B4 B11 Br11 147.4(3) . . . . ?
B1 B5 B6 B2 -39.6(4) . . . . ?
B1 B5 B6 B7 -140.4(4) . . . . ?
B1 B5 B6 B8 -103.5(4) . . . . ?
B1 B5 B6 Br6 109.5(4) . . . . ?
B1 B5 B7 B6 36.1(4) . . . . ?
B1 B5 B7 B8 -0.8(5) . . . . ?
B1 B5 B7 B11 -101.4(4) . . . . ?
B1 B5 B7 B12 -63.8(5) . . . . ?
B1 B5 B7 Br7 146.8(4) . . . . ?
B1 B5 B11 B4 -36.4(4) . . . . ?
B1 B5 B11 B7 102.2(4) . . . . ?
B1 B5 B11 B10 1.4(5) . . . . ?
B1 B5 B11 B12 64.9(5) . . . . ?
B1 B5 B11 Br11 -148.4(3) . . . . ?
B1 B6 B7 B5 -36.4(4) . . . . ?
B1 B6 B7 B8 102.5(4) . . . . ?
B1 B6 B7 B11 1.7(5) . . . . ?
B1 B6 B7 B12 65.0(5) . . . . ?
B1 B6 B7 Br7 -146.2(4) . . . . ?
B1 B6 B8 B2 36.6(4) . . . . ?
B1 B6 B8 B7 -102.0(4) . . . . ?
B1 B6 B8 B9 -0.8(6) . . . . ?
B1 B6 B8 B12 -64.2(5) . . . . ?
B1 B6 B8 Br8 147.6(4) . . . . ?
B2 B1 B3 B4 136.0(4) . . . . ?
B2 B1 B3 B9 36.1(4) . . . . ?
B2 B1 B3 B10 99.6(4) . . . . ?
B2 B1 B3 Br3 -110.7(4) . . . . ?
B2 B1 B4 B3 -37.9(3) . . . . ?
B2 B1 B4 B5 98.6(4) . . . . ?
B2 B1 B4 B10 -1.8(5) . . . . ?
B2 B1 B4 B11 62.2(4) . . . . ?
B2 B1 B4 Br4 -149.4(3) . . . . ?
B2 B1 B5 B4 -98.7(4) . . . . ?
B2 B1 B5 B6 37.3(3) . . . . ?
B2 B1 B5 B7 1.2(5) . . . . ?
B2 B1 B5 B11 -62.7(5) . . . . ?
B2 B1 B5 Br5 149.8(4) . . . . ?
B2 B1 B6 B5 -136.6(4) . . . . ?
B2 B1 B6 B7 -100.5(4) . . . . ?
B2 B1 B6 B8 -36.1(4) . . . . ?
B2 B1 B6 Br6 111.5(5) . . . . ?
B2 B1 O1 C49 131.8(6) . . . . ?
B2 B3 B4 B1 39.4(4) . . . . ?
B2 B3 B4 B5 0.4(5) . . . . ?
B2 B3 B4 B10 -100.5(4) . . . . ?
B2 B3 B4 B11 -63.6(5) . . . . ?
B2 B3 B4 Br4 151.6(4) . . . . ?
B2 B3 B9 B8 37.3(4) . . . . ?
B2 B3 B9 B10 138.2(4) . . . . ?
B2 B3 B9 B12 100.7(4) . . . . ?
B2 B3 B9 Br9 -110.5(5) . . . . ?
B2 B3 B10 B4 100.6(4) . . . . ?
B2 B3 B10 B9 -37.1(3) . . . . ?
B2 B3 B10 B11 63.8(4) . . . . ?
B2 B3 B10 B12 0.2(5) . . . . ?
B2 B3 B10 Br10 -146.7(3) . . . . ?
B2 B6 B7 B5 -101.8(4) . . . . ?
B2 B6 B7 B8 37.1(3) . . . . ?
B2 B6 B7 B11 -63.7(5) . . . . ?
B2 B6 B7 B12 -0.4(5) . . . . ?
B2 B6 B7 Br7 148.4(4) . . . . ?
B2 B6 B8 B7 -138.7(4) . . . . ?
B2 B6 B8 B9 -37.5(4) . . . . ?
B2 B6 B8 B12 -100.9(4) . . . . ?
B2 B6 B8 Br8 110.9(5) . . . . ?
B2 B8 B9 B3 -37.3(4) . . . . ?
B2 B8 B9 B10 -101.4(4) . . . . ?
B2 B8 B9 B12 -138.5(4) . . . . ?
B2 B8 B9 Br9 110.3(5) . . . . ?
B2 B8 B12 B7 -100.2(4) . . . . ?
B2 B8 B12 B9 37.0(3) . . . . ?
B2 B8 B12 B10 0.4(5) . . . . ?
B2 B8 B12 B11 -62.9(5) . . . . ?
B2 B8 B12 Br1 147.7(3) . . . . ?
B2 B9 B10 B3 37.6(3) . . . . ?
B2 B9 B10 B4 0.0(5) . . . . ?
B2 B9 B10 B11 -63.1(5) . . . . ?
B2 B9 B10 B12 -100.8(4) . . . . ?
B2 B9 B10 Br10 148.4(3) . . . . ?
B2 B9 B12 B7 1.0(5) . . . . ?
B2 B9 B12 B8 -37.3(3) . . . . ?
B2 B9 B12 B10 101.5(4) . . . . ?
B2 B9 B12 B11 64.1(5) . . . . ?
B2 B9 B12 Br1 -148.8(4) . . . . ?
B3 B1 B2 B6 -136.6(4) . . . . ?
B3 B1 B2 B8 -100.4(4) . . . . ?
B3 B1 B2 B9 -36.3(4) . . . . ?
B3 B1 B2 Br2 112.1(4) . . . . ?
B3 B1 B4 B5 136.6(4) . . . . ?
B3 B1 B4 B10 36.2(3) . . . . ?
B3 B1 B4 B11 100.1(4) . . . . ?
B3 B1 B4 Br4 -111.5(4) . . . . ?
B3 B1 B5 B4 -37.6(3) . . . . ?
B3 B1 B5 B6 98.4(4) . . . . ?
B3 B1 B5 B7 62.3(5) . . . . ?
B3 B1 B5 B11 -1.6(5) . . . . ?
B3 B1 B5 Br5 -149.1(3) . . . . ?
B3 B1 B6 B2 37.5(4) . . . . ?
B3 B1 B6 B5 -99.2(4) . . . . ?
B3 B1 B6 B7 -63.0(5) . . . . ?
B3 B1 B6 B8 1.3(6) . . . . ?
B3 B1 B6 Br6 149.0(4) . . . . ?
B3 B1 O1 C49 59.6(8) . . . . ?
B3 B2 B6 B1 -39.0(4) . . . . ?
B3 B2 B6 B5 0.4(5) . . . . ?
B3 B2 B6 B7 64.4(5) . . . . ?
B3 B2 B6 B8 101.4(4) . . . . ?
B3 B2 B6 Br6 -148.8(3) . . . . ?
B3 B2 B8 B6 -100.5(4) . . . . ?
B3 B2 B8 B7 -63.8(5) . . . . ?
B3 B2 B8 B9 37.0(4) . . . . ?
B3 B2 B8 B12 -0.2(5) . . . . ?
B3 B2 B8 Br8 147.4(3) . . . . ?
B3 B2 B9 B8 -138.7(4) . . . . ?
B3 B2 B9 B10 -37.6(4) . . . . ?
B3 B2 B9 B12 -101.6(4) . . . . ?
B3 B2 B9 Br9 110.4(4) . . . . ?
B3 B4 B5 B1 39.2(4) . . . . ?
B3 B4 B5 B6 -0.2(5) . . . . ?
B3 B4 B5 B7 -64.0(5) . . . . ?
B3 B4 B5 B11 -100.9(4) . . . . ?
B3 B4 B5 Br5 148.5(4) . . . . ?
B3 B4 B10 B9 37.7(4) . . . . ?
B3 B4 B10 B11 138.7(4) . . . . ?
B3 B4 B10 B12 101.1(4) . . . . ?
B3 B4 B10 Br10 -109.7(4) . . . . ?
B3 B4 B11 B5 101.0(4) . . . . ?
B3 B4 B11 B7 64.2(5) . . . . ?
B3 B4 B11 B10 -36.9(4) . . . . ?
B3 B4 B11 B12 0.8(5) . . . . ?
B3 B4 B11 Br11 -147.9(3) . . . . ?
B3 B9 B10 B4 -37.6(3) . . . . ?
B3 B9 B10 B11 -100.7(4) . . . . ?
B3 B9 B10 B12 -138.4(4) . . . . ?
B3 B9 B10 Br10 110.8(4) . . . . ?
B3 B9 B12 B7 -63.0(5) . . . . ?
B3 B9 B12 B8 -101.3(4) . . . . ?
B3 B9 B12 B10 37.5(4) . . . . ?
B3 B9 B12 B11 0.1(5) . . . . ?
B3 B9 B12 Br1 147.3(4) . . . . ?
B3 B10 B11 B4 36.9(4) . . . . ?
B3 B10 B11 B5 -0.6(5) . . . . ?
B3 B10 B11 B7 -63.7(5) . . . . ?
B3 B10 B11 B12 -101.1(4) . . . . ?
B3 B10 B11 Br11 149.4(3) . . . . ?
B3 B10 B12 B7 63.3(5) . . . . ?
B3 B10 B12 B8 -0.4(5) . . . . ?
B3 B10 B12 B9 -37.2(3) . . . . ?
B3 B10 B12 B11 100.6(4) . . . . ?
B3 B10 B12 Br1 -148.2(4) . . . . ?
B4 B1 B2 B3 38.0(3) . . . . ?
B4 B1 B2 B6 -98.6(4) . . . . ?
B4 B1 B2 B8 -62.4(4) . . . . ?
B4 B1 B2 B9 1.7(5) . . . . ?
B4 B1 B2 Br2 150.1(3) . . . . ?
B4 B1 B3 B2 -136.0(4) . . . . ?
B4 B1 B3 B9 -99.9(4) . . . . ?
B4 B1 B3 B10 -36.4(4) . . . . ?
B4 B1 B3 Br3 113.4(4) . . . . ?
B4 B1 B5 B6 136.0(4) . . . . ?
B4 B1 B5 B7 99.9(4) . . . . ?
B4 B1 B5 B11 36.0(4) . . . . ?
B4 B1 B5 Br5 -111.5(4) . . . . ?
B4 B1 B6 B2 98.6(4) . . . . ?
B4 B1 B6 B5 -38.0(3) . . . . ?
B4 B1 B6 B7 -1.9(5) . . . . ?
B4 B1 B6 B8 62.5(5) . . . . ?
B4 B1 B6 Br6 -149.9(3) . . . . ?
B4 B1 O1 C49 -16.9(8) . . . . ?
B4 B3 B9 B2 -100.3(4) . . . . ?
B4 B3 B9 B8 -63.1(5) . . . . ?
B4 B3 B9 B10 37.9(3) . . . . ?
B4 B3 B9 B12 0.4(5) . . . . ?
B4 B3 B9 Br9 149.2(4) . . . . ?
B4 B3 B10 B9 -137.7(4) . . . . ?
B4 B3 B10 B11 -36.8(4) . . . . ?
B4 B3 B10 B12 -100.4(4) . . . . ?
B4 B3 B10 Br10 112.7(4) . . . . ?
B4 B5 B6 B1 39.5(4) . . . . ?
B4 B5 B6 B2 -0.1(5) . . . . ?
B4 B5 B6 B7 -100.9(4) . . . . ?
B4 B5 B6 B8 -64.0(5) . . . . ?
B4 B5 B6 Br6 148.9(4) . . . . ?
B4 B5 B7 B6 100.6(4) . . . . ?
B4 B5 B7 B8 63.7(5) . . . . ?
B4 B5 B7 B11 -36.9(4) . . . . ?
B4 B5 B7 B12 0.7(6) . . . . ?
B4 B5 B7 Br7 -148.7(4) . . . . ?
B4 B5 B11 B7 138.6(4) . . . . ?
B4 B5 B11 B10 37.8(4) . . . . ?
B4 B5 B11 B12 101.2(4) . . . . ?
B4 B5 B11 Br11 -112.0(4) . . . . ?
B4 B10 B11 B5 -37.4(4) . . . . ?
B4 B10 B11 B7 -100.5(4) . . . . ?
B4 B10 B11 B12 -138.0(4) . . . . ?
B4 B10 B11 Br11 112.5(4) . . . . ?
B4 B10 B12 B7 0.1(6) . . . . ?
B4 B10 B12 B8 -63.6(5) . . . . ?
B4 B10 B12 B9 -100.5(4) . . . . ?
B4 B10 B12 B11 37.4(4) . . . . ?
B4 B10 B12 Br1 148.6(4) . . . . ?
B4 B11 B12 B7 100.3(4) . . . . ?
B4 B11 B12 B8 62.8(5) . . . . ?
B4 B11 B12 B9 -0.6(5) . . . . ?
B4 B11 B12 B10 -37.9(4) . . . . ?
B4 B11 B12 Br1 -147.7(3) . . . . ?
B5 B1 B2 B3 99.2(4) . . . . ?
B5 B1 B2 B6 -37.4(4) . . . . ?
B5 B1 B2 B8 -1.2(5) . . . . ?
B5 B1 B2 B9 62.9(5) . . . . ?
B5 B1 B2 Br2 -148.7(3) . . . . ?
B5 B1 B3 B2 -98.3(4) . . . . ?
B5 B1 B3 B4 37.6(3) . . . . ?
B5 B1 B3 B9 -62.3(5) . . . . ?
B5 B1 B3 B10 1.3(5) . . . . ?
B5 B1 B3 Br3 151.0(3) . . . . ?
B5 B1 B4 B3 -136.6(4) . . . . ?
B5 B1 B4 B10 -100.4(4) . . . . ?
B5 B1 B4 B11 -36.5(3) . . . . ?
B5 B1 B4 Br4 112.0(4) . . . . ?
B5 B1 B6 B2 136.6(4) . . . . ?
B5 B1 B6 B7 36.1(4) . . . . ?
B5 B1 B6 B8 100.5(5) . . . . ?
B5 B1 B6 Br6 -111.9(4) . . . . ?
B5 B1 O1 C49 -90.6(7) . . . . ?
B5 B4 B10 B3 -100.8(4) . . . . ?
B5 B4 B10 B9 -63.1(5) . . . . ?
B5 B4 B10 B11 37.9(4) . . . . ?
B5 B4 B10 B12 0.3(5) . . . . ?
B5 B4 B10 Br10 149.5(4) . . . . ?
B5 B4 B11 B7 -36.8(4) . . . . ?
B5 B4 B11 B10 -137.9(4) . . . . ?
B5 B4 B11 B12 -100.3(4) . . . . ?
B5 B4 B11 Br11 111.0(4) . . . . ?
B5 B6 B7 B8 138.9(4) . . . . ?
B5 B6 B7 B11 38.1(4) . . . . ?
B5 B6 B7 B12 101.4(4) . . . . ?
B5 B6 B7 Br7 -109.8(4) . . . . ?
B5 B6 B8 B2 101.7(4) . . . . ?
B5 B6 B8 B7 -37.0(4) . . . . ?
B5 B6 B8 B9 64.2(5) . . . . ?
B5 B6 B8 B12 0.8(5) . . . . ?
B5 B6 B8 Br8 -147.4(4) . . . . ?
B5 B7 B8 B2 0.0(5) . . . . ?
B5 B7 B8 B6 36.5(4) . . . . ?
B5 B7 B8 B9 -62.9(5) . . . . ?
B5 B7 B8 B12 -101.2(4) . . . . ?
B5 B7 B8 Br8 149.1(4) . . . . ?
B5 B7 B11 B4 36.8(4) . . . . ?
B5 B7 B11 B10 100.7(4) . . . . ?
B5 B7 B11 B12 138.1(4) . . . . ?
B5 B7 B11 Br11 -111.9(4) . . . . ?
B5 B7 B12 B8 100.6(4) . . . . ?
B5 B7 B12 B9 62.4(5) . . . . ?
B5 B7 B12 B10 -0.5(6) . . . . ?
B5 B7 B12 B11 -37.7(4) . . . . ?
B5 B7 B12 Br1 -148.3(4) . . . . ?
B5 B11 B12 B7 37.2(4) . . . . ?
B5 B11 B12 B8 -0.3(5) . . . . ?
B5 B11 B12 B9 -63.6(5) . . . . ?
B5 B11 B12 B10 -100.9(4) . . . . ?
B5 B11 B12 Br1 149.3(3) . . . . ?
B6 B1 B2 B3 136.6(4) . . . . ?
B6 B1 B2 B8 36.2(4) . . . . ?
B6 B1 B2 B9 100.3(4) . . . . ?
B6 B1 B2 Br2 -111.4(4) . . . . ?
B6 B1 B3 B2 -37.4(4) . . . . ?
B6 B1 B3 B4 98.6(4) . . . . ?
B6 B1 B3 B9 -1.3(5) . . . . ?
B6 B1 B3 B10 62.3(5) . . . . ?
B6 B1 B3 Br3 -148.0(4) . . . . ?
B6 B1 B4 B3 -98.7(4) . . . . ?
B6 B1 B4 B5 37.9(3) . . . . ?
B6 B1 B4 B10 -62.5(4) . . . . ?
B6 B1 B4 B11 1.4(5) . . . . ?
B6 B1 B4 Br4 149.8(3) . . . . ?
B6 B1 B5 B4 -136.0(4) . . . . ?
B6 B1 B5 B7 -36.1(4) . . . . ?
B6 B1 B5 B11 -100.0(4) . . . . ?
B6 B1 B5 Br5 112.5(4) . . . . ?
B6 B1 O1 C49 -159.8(6) . . . . ?
B6 B2 B3 B1 38.7(4) . . . . ?
B6 B2 B3 B4 -0.5(5) . . . . ?
B6 B2 B3 B9 -101.1(4) . . . . ?
B6 B2 B3 B10 -64.1(4) . . . . ?
B6 B2 B3 Br3 148.5(3) . . . . ?
B6 B2 B8 B7 36.7(4) . . . . ?
B6 B2 B8 B9 137.6(4) . . . . ?
B6 B2 B8 B12 100.3(4) . . . . ?
B6 B2 B8 Br8 -112.1(4) . . . . ?
B6 B2 B9 B3 100.4(4) . . . . ?
B6 B2 B9 B8 -38.2(4) . . . . ?
B6 B2 B9 B10 62.8(5) . . . . ?
B6 B2 B9 B12 -1.2(5) . . . . ?
B6 B2 B9 Br9 -149.2(3) . . . . ?
B6 B5 B7 B8 -36.9(4) . . . . ?
B6 B5 B7 B11 -137.5(4) . . . . ?
B6 B5 B7 B12 -99.9(5) . . . . ?
B6 B5 B7 Br7 110.7(5) . . . . ?
B6 B5 B11 B4 -100.5(4) . . . . ?
B6 B5 B11 B7 38.1(4) . . . . ?
B6 B5 B11 B10 -62.7(5) . . . . ?
B6 B5 B11 B12 0.7(5) . . . . ?
B6 B5 B11 Br11 147.5(4) . . . . ?
B6 B7 B8 B2 -36.5(4) . . . . ?
B6 B7 B8 B9 -99.4(4) . . . . ?
B6 B7 B8 B12 -137.7(4) . . . . ?
B6 B7 B8 Br8 112.6(4) . . . . ?
B6 B7 B11 B4 -0.7(5) . . . . ?
B6 B7 B11 B5 -37.6(4) . . . . ?
B6 B7 B11 B10 63.1(5) . . . . ?
B6 B7 B11 B12 100.6(4) . . . . ?
B6 B7 B11 Br11 -149.4(3) . . . . ?
B6 B7 B12 B8 37.8(4) . . . . ?
B6 B7 B12 B9 -0.4(5) . . . . ?
B6 B7 B12 B10 -63.2(5) . . . . ?
B6 B7 B12 B11 -100.5(4) . . . . ?
B6 B7 B12 Br1 149.0(4) . . . . ?
B6 B8 B9 B2 37.3(4) . . . . ?
B6 B8 B9 B3 0.0(6) . . . . ?
B6 B8 B9 B10 -64.1(5) . . . . ?
B6 B8 B9 B12 -101.2(4) . . . . ?
B6 B8 B9 Br9 147.6(4) . . . . ?
B6 B8 B12 B7 -37.6(4) . . . . ?
B6 B8 B12 B9 99.6(4) . . . . ?
B6 B8 B12 B10 62.9(5) . . . . ?
B6 B8 B12 B11 -0.3(5) . . . . ?
B6 B8 B12 Br1 -149.7(3) . . . . ?
B7 B5 B6 B1 140.4(4) . . . . ?
B7 B5 B6 B2 100.8(4) . . . . ?
B7 B5 B6 B8 36.9(4) . . . . ?
B7 B5 B6 Br6 -110.2(4) . . . . ?
B7 B5 B11 B4 -138.6(4) . . . . ?
B7 B5 B11 B10 -100.8(4) . . . . ?
B7 B5 B11 B12 -37.3(4) . . . . ?
B7 B5 B11 Br11 109.4(4) . . . . ?
B7 B6 B8 B2 138.7(4) . . . . ?
B7 B6 B8 B9 101.2(5) . . . . ?
B7 B6 B8 B12 37.8(4) . . . . ?
B7 B6 B8 Br8 -110.4(5) . . . . ?
B7 B8 B9 B2 100.2(4) . . . . ?
B7 B8 B9 B3 62.9(5) . . . . ?
B7 B8 B9 B10 -1.2(5) . . . . ?
B7 B8 B9 B12 -38.3(4) . . . . ?
B7 B8 B9 Br9 -149.5(4) . . . . ?
B7 B8 B12 B9 137.2(4) . . . . ?
B7 B8 B12 B10 100.5(4) . . . . ?
B7 B8 B12 B11 37.3(4) . . . . ?
B7 B8 B12 Br1 -112.1(4) . . . . ?
B7 B11 B12 B8 -37.5(4) . . . . ?
B7 B11 B12 B9 -100.8(4) . . . . ?
B7 B11 B12 B10 -138.1(4) . . . . ?
B7 B11 B12 Br1 112.1(4) . . . . ?
B8 B2 B3 B1 102.9(4) . . . . ?
B8 B2 B3 B4 63.6(4) . . . . ?
B8 B2 B3 B9 -37.0(4) . . . . ?
B8 B2 B3 B10 0.0(5) . . . . ?
B8 B2 B3 Br3 -147.4(3) . . . . ?
B8 B2 B6 B1 -140.4(4) . . . . ?
B8 B2 B6 B5 -101.0(4) . . . . ?
B8 B2 B6 B7 -37.0(4) . . . . ?
B8 B2 B6 Br6 109.8(4) . . . . ?
B8 B2 B9 B3 138.7(4) . . . . ?
B8 B2 B9 B10 101.0(4) . . . . ?
B8 B2 B9 B12 37.1(4) . . . . ?
B8 B2 B9 Br9 -110.9(4) . . . . ?
B8 B6 B7 B5 -138.9(4) . . . . ?
B8 B6 B7 B11 -100.8(4) . . . . ?
B8 B6 B7 B12 -37.5(4) . . . . ?
B8 B6 B7 Br7 111.3(4) . . . . ?
B8 B7 B11 B4 -64.3(5) . . . . ?
B8 B7 B11 B5 -101.1(4) . . . . ?
B8 B7 B11 B10 -0.5(5) . . . . ?
B8 B7 B11 B12 37.0(4) . . . . ?
B8 B7 B11 Br11 147.0(4) . . . . ?
B8 B7 B12 B9 -38.2(4) . . . . ?
B8 B7 B12 B10 -101.0(4) . . . . ?
B8 B7 B12 B11 -138.3(4) . . . . ?
B8 B7 B12 Br1 111.1(5) . . . . ?
B8 B9 B10 B3 101.6(4) . . . . ?
B8 B9 B10 B4 63.9(5) . . . . ?
B8 B9 B10 B11 0.9(5) . . . . ?
B8 B9 B10 B12 -36.8(4) . . . . ?
B8 B9 B10 Br10 -147.6(3) . . . . ?
B8 B9 B12 B7 38.3(4) . . . . ?
B8 B9 B12 B10 138.8(4) . . . . ?
B8 B9 B12 B11 101.4(4) . . . . ?
B8 B9 B12 Br1 -111.4(4) . . . . ?
B9 B2 B3 B1 139.9(4) . . . . ?
B9 B2 B3 B4 100.6(4) . . . . ?
B9 B2 B3 B10 37.1(3) . . . . ?
B9 B2 B3 Br3 -110.4(4) . . . . ?
B9 B2 B6 B1 -102.4(4) . . . . ?
B9 B2 B6 B5 -63.0(5) . . . . ?
B9 B2 B6 B7 1.0(5) . . . . ?
B9 B2 B6 B8 38.0(4) . . . . ?
B9 B2 B6 Br6 147.8(3) . . . . ?
B9 B2 B8 B6 -137.6(4) . . . . ?
B9 B2 B8 B7 -100.8(4) . . . . ?
B9 B2 B8 B12 -37.3(3) . . . . ?
B9 B2 B8 Br8 110.3(4) . . . . ?
B9 B3 B4 B1 102.3(4) . . . . ?
B9 B3 B4 B5 63.4(5) . . . . ?
B9 B3 B4 B10 -37.6(4) . . . . ?
B9 B3 B4 B11 -0.7(5) . . . . ?
B9 B3 B4 Br4 -145.5(4) . . . . ?
B9 B3 B10 B4 137.7(4) . . . . ?
B9 B3 B10 B11 100.9(4) . . . . ?
B9 B3 B10 B12 37.3(3) . . . . ?
B9 B3 B10 Br10 -109.7(4) . . . . ?
B9 B8 B12 B7 -137.2(4) . . . . ?
B9 B8 B12 B10 -36.7(3) . . . . ?
B9 B8 B12 B11 -99.9(4) . . . . ?
B9 B8 B12 Br1 110.7(4) . . . . ?
B9 B10 B11 B4 100.3(4) . . . . ?
B9 B10 B11 B5 62.8(5) . . . . ?
B9 B10 B11 B7 -0.3(5) . . . . ?
B9 B10 B11 B12 -37.7(4) . . . . ?
B9 B10 B11 Br11 -147.2(4) . . . . ?
B9 B10 B12 B7 100.5(4) . . . . ?
B9 B10 B12 B8 36.9(3) . . . . ?
B9 B10 B12 B11 137.9(4) . . . . ?
B9 B10 B12 Br1 -110.9(4) . . . . ?
B10 B3 B4 B1 139.9(4) . . . . ?
B10 B3 B4 B5 101.0(4) . . . . ?
B10 B3 B4 B11 36.9(4) . . . . ?
B10 B3 B4 Br4 -107.9(4) . . . . ?
B10 B3 B9 B2 -138.2(4) . . . . ?
B10 B3 B9 B8 -100.9(4) . . . . ?
B10 B3 B9 B12 -37.5(4) . . . . ?
B10 B3 B9 Br9 111.3(4) . . . . ?
B10 B4 B5 B1 102.5(4) . . . . ?
B10 B4 B5 B6 63.2(5) . . . . ?
B10 B4 B5 B7 -0.6(6) . . . . ?
B10 B4 B5 B11 -37.6(4) . . . . ?
B10 B4 B5 Br5 -148.1(4) . . . . ?
B10 B4 B11 B5 137.9(4) . . . . ?
B10 B4 B11 B7 101.1(4) . . . . ?
B10 B4 B11 B12 37.7(4) . . . . ?
B10 B4 B11 Br11 -111.0(4) . . . . ?
B10 B9 B12 B7 -100.5(4) . . . . ?
B10 B9 B12 B8 -138.8(4) . . . . ?
B10 B9 B12 B11 -37.4(4) . . . . ?
B10 B9 B12 Br1 109.8(4) . . . . ?
B10 B11 B12 B7 138.1(4) . . . . ?
B10 B11 B12 B8 100.7(4) . . . . ?
B10 B11 B12 B9 37.3(4) . . . . ?
B10 B11 B12 Br1 -109.8(4) . . . . ?
B11 B4 B5 B1 140.1(4) . . . . ?
B11 B4 B5 B6 100.7(4) . . . . ?
B11 B4 B5 B7 36.9(4) . . . . ?
B11 B4 B5 Br5 -110.6(5) . . . . ?
B11 B4 B10 B3 -138.7(4) . . . . ?
B11 B4 B10 B9 -101.0(4) . . . . ?
B11 B4 B10 B12 -37.6(4) . . . . ?
B11 B4 B10 Br10 111.6(5) . . . . ?
B11 B5 B6 B1 102.5(4) . . . . ?
B11 B5 B6 B2 62.9(5) . . . . ?
B11 B5 B6 B7 -37.9(4) . . . . ?
B11 B5 B6 B8 -1.0(5) . . . . ?
B11 B5 B6 Br6 -148.0(4) . . . . ?
B11 B5 B7 B6 137.5(4) . . . . ?
B11 B5 B7 B8 100.6(4) . . . . ?
B11 B5 B7 B12 37.6(4) . . . . ?
B11 B5 B7 Br7 -111.8(5) . . . . ?
B11 B7 B8 B2 63.9(5) . . . . ?
B11 B7 B8 B6 100.4(4) . . . . ?
B11 B7 B8 B9 1.0(5) . . . . ?
B11 B7 B8 B12 -37.3(4) . . . . ?
B11 B7 B8 Br8 -147.0(4) . . . . ?
B11 B7 B12 B8 138.3(4) . . . . ?
B11 B7 B12 B9 100.1(4) . . . . ?
B11 B7 B12 B10 37.3(4) . . . . ?
B11 B7 B12 Br1 -110.6(5) . . . . ?
B11 B10 B12 B7 -37.3(4) . . . . ?
B11 B10 B12 B8 -101.0(4) . . . . ?
B11 B10 B12 B9 -137.9(4) . . . . ?
B11 B10 B12 Br1 111.2(5) . . . . ?
B12 B7 B8 B2 101.2(4) . . . . ?
B12 B7 B8 B6 137.7(4) . . . . ?
B12 B7 B8 B9 38.3(4) . . . . ?
B12 B7 B8 Br8 -109.7(5) . . . . ?
B12 B7 B11 B4 -101.3(4) . . . . ?
B12 B7 B11 B5 -138.1(4) . . . . ?
B12 B7 B11 B10 -37.5(4) . . . . ?
B12 B7 B11 Br11 110.0(4) . . . . ?
B12 B8 B9 B2 138.5(4) . . . . ?
B12 B8 B9 B3 101.2(4) . . . . ?
B12 B8 B9 B10 37.1(4) . . . . ?
B12 B8 B9 Br9 -111.3(4) . . . . ?
B12 B9 B10 B3 138.4(4) . . . . ?
B12 B9 B10 B4 100.8(4) . . . . ?
B12 B9 B10 B11 37.7(4) . . . . ?
B12 B9 B10 Br10 -110.8(4) . . . . ?
B12 B10 B11 B4 138.0(4) . . . . ?
B12 B10 B11 B5 100.5(4) . . . . ?
B12 B10 B11 B7 37.4(4) . . . . ?
B12 B10 B11 Br11 -109.5(4) . . . . ?
C50 C49 O1 B1 -153.7(5) . . . . ?
O1 B1 B2 B3 -116.9(5) . . . . ?
O1 B1 B2 B6 106.5(5) . . . . ?
O1 B1 B2 B8 142.7(4) . . . . ?
O1 B1 B2 B9 -153.2(4) . . . . ?
O1 B1 B2 Br2 -4.8(6) . . . . ?
O1 B1 B3 B2 107.4(6) . . . . ?
O1 B1 B3 B4 -116.6(5) . . . . ?
O1 B1 B3 B9 143.5(5) . . . . ?
O1 B1 B3 B10 -152.9(5) . . . . ?
O1 B1 B3 Br3 -3.2(7) . . . . ?
O1 B1 B4 B3 114.6(5) . . . . ?
O1 B1 B4 B5 -108.8(5) . . . . ?
O1 B1 B4 B10 150.8(5) . . . . ?
O1 B1 B4 B11 -145.3(5) . . . . ?
O1 B1 B4 Br4 3.1(7) . . . . ?
O1 B1 B5 B4 118.0(5) . . . . ?
O1 B1 B5 B6 -106.0(5) . . . . ?
O1 B1 B5 B7 -142.1(5) . . . . ?
O1 B1 B5 B11 154.0(4) . . . . ?
O1 B1 B5 Br5 6.5(7) . . . . ?
O1 B1 B6 B2 -110.8(5) . . . . ?
O1 B1 B6 B5 112.5(5) . . . . ?
O1 B1 B6 B7 148.7(4) . . . . ?
O1 B1 B6 B8 -147.0(5) . . . . ?
O1 B1 B6 Br6 0.7(6) . . . . ?
O1 C49 C50 C51 68.7(10) . . . . ?
Br2 B2 B3 B1 -108.5(4) . . . . ?
Br2 B2 B3 B4 -147.7(3) . . . . ?
Br2 B2 B3 B9 111.7(4) . . . . ?
Br2 B2 B3 B10 148.7(3) . . . . ?
Br2 B2 B3 Br3 1.3(5) . . . . ?
Br2 B2 B6 B1 108.4(4) . . . . ?
Br2 B2 B6 B5 147.8(4) . . . . ?
Br2 B2 B6 B7 -148.3(4) . . . . ?
Br2 B2 B6 B8 -111.2(4) . . . . ?
Br2 B2 B6 Br6 -1.4(6) . . . . ?
Br2 B2 B8 B6 110.7(4) . . . . ?
Br2 B2 B8 B7 147.5(4) . . . . ?
Br2 B2 B8 B9 -111.7(4) . . . . ?
Br2 B2 B8 B12 -149.0(3) . . . . ?
Br2 B2 B8 Br8 -1.4(5) . . . . ?
Br2 B2 B9 B3 -110.7(4) . . . . ?
Br2 B2 B9 B8 110.6(4) . . . . ?
Br2 B2 B9 B10 -148.4(3) . . . . ?
Br2 B2 B9 B12 147.7(4) . . . . ?
Br2 B2 B9 Br9 -0.3(6) . . . . ?
Br3 B3 B4 B1 -108.7(4) . . . . ?
Br3 B3 B4 B5 -147.7(4) . . . . ?
Br3 B3 B4 B10 111.4(4) . . . . ?
Br3 B3 B4 B11 148.2(4) . . . . ?
Br3 B3 B4 Br4 3.5(6) . . . . ?
Br3 B3 B9 B2 109.9(4) . . . . ?
Br3 B3 B9 B8 147.2(4) . . . . ?
Br3 B3 B9 B10 -111.8(4) . . . . ?
Br3 B3 B9 B12 -149.4(3) . . . . ?
Br3 B3 B9 Br9 -0.5(6) . . . . ?
Br3 B3 B10 B4 -112.6(4) . . . . ?
Br3 B3 B10 B9 109.7(4) . . . . ?
Br3 B3 B10 B11 -149.4(3) . . . . ?
Br3 B3 B10 B12 147.0(3) . . . . ?
Br3 B3 B10 Br10 0.1(5) . . . . ?
Br4 B4 B5 B1 -111.8(4) . . . . ?
Br4 B4 B5 B6 -151.2(4) . . . . ?
Br4 B4 B5 B7 145.1(4) . . . . ?
Br4 B4 B5 B11 108.1(5) . . . . ?
Br4 B4 B5 Br5 -2.5(6) . . . . ?
Br4 B4 B10 B3 112.2(4) . . . . ?
Br4 B4 B10 B9 149.9(3) . . . . ?
Br4 B4 B10 B11 -109.1(4) . . . . ?
Br4 B4 B10 B12 -146.7(4) . . . . ?
Br4 B4 B10 Br10 2.5(6) . . . . ?
Br4 B4 B11 B5 -113.1(4) . . . . ?
Br4 B4 B11 B7 -150.0(3) . . . . ?
Br4 B4 B11 B10 108.9(4) . . . . ?
Br4 B4 B11 B12 146.6(3) . . . . ?
Br4 B4 B11 Br11 -2.1(5) . . . . ?
Br5 B5 B6 B1 -108.9(4) . . . . ?
Br5 B5 B6 B2 -148.5(4) . . . . ?
Br5 B5 B6 B7 110.7(4) . . . . ?
Br5 B5 B6 B8 147.6(4) . . . . ?
Br5 B5 B6 Br6 0.6(6) . . . . ?
Br5 B5 B7 B6 -111.9(5) . . . . ?
Br5 B5 B7 B8 -148.9(4) . . . . ?
Br5 B5 B7 B11 110.6(5) . . . . ?
Br5 B5 B7 B12 148.1(4) . . . . ?
Br5 B5 B7 Br7 -1.2(7) . . . . ?
Br5 B5 B11 B4 110.6(4) . . . . ?
Br5 B5 B11 B7 -110.8(4) . . . . ?
Br5 B5 B11 B10 148.4(4) . . . . ?
Br5 B5 B11 B12 -148.2(4) . . . . ?
Br5 B5 B11 Br11 -1.5(6) . . . . ?
Br6 B6 B7 B5 111.3(4) . . . . ?
Br6 B6 B7 B8 -109.8(4) . . . . ?
Br6 B6 B7 B11 149.3(3) . . . . ?
Br6 B6 B7 B12 -147.3(3) . . . . ?
Br6 B6 B7 Br7 1.5(6) . . . . ?
Br6 B6 B8 B2 -110.9(5) . . . . ?
Br6 B6 B8 B7 110.5(4) . . . . ?
Br6 B6 B8 B9 -148.3(4) . . . . ?
Br6 B6 B8 B12 148.3(4) . . . . ?
Br6 B6 B8 Br8 0.1(7) . . . . ?
Br7 B7 B8 B2 -147.3(4) . . . . ?
Br7 B7 B8 B6 -110.8(4) . . . . ?
Br7 B7 B8 B9 149.8(4) . . . . ?
Br7 B7 B8 B12 111.5(4) . . . . ?
Br7 B7 B8 Br8 1.8(6) . . . . ?
Br7 B7 B11 B4 146.9(4) . . . . ?
Br7 B7 B11 B5 110.1(4) . . . . ?
Br7 B7 B11 B10 -149.2(4) . . . . ?
Br7 B7 B11 B12 -111.7(4) . . . . ?
Br7 B7 B11 Br11 -1.7(6) . . . . ?
Br7 B7 B12 B8 -110.6(5) . . . . ?
Br7 B7 B12 B9 -148.8(4) . . . . ?
Br7 B7 B12 B10 148.4(4) . . . . ?
Br7 B7 B12 B11 111.1(5) . . . . ?
Br7 B7 B12 Br1 0.5(7) . . . . ?
Br8 B8 B9 B2 -111.7(5) . . . . ?
Br8 B8 B9 B3 -149.0(4) . . . . ?
Br8 B8 B9 B10 146.9(4) . . . . ?
Br8 B8 B9 B12 109.8(5) . . . . ?
Br8 B8 B9 Br9 -1.5(7) . . . . ?
Br8 B8 B12 B7 111.5(4) . . . . ?
Br8 B8 B12 B9 -111.3(4) . . . . ?
Br8 B8 B12 B10 -147.9(3) . . . . ?
Br8 B8 B12 B11 148.8(3) . . . . ?
Br8 B8 B12 Br1 -0.6(6) . . . . ?
Br9 B9 B10 B3 -110.1(4) . . . . ?
Br9 B9 B10 B4 -147.8(4) . . . . ?
Br9 B9 B10 B11 149.2(4) . . . . ?
Br9 B9 B10 B12 111.4(4) . . . . ?
Br9 B9 B10 Br10 0.6(6) . . . . ?
Br9 B9 B12 B7 148.6(4) . . . . ?
Br9 B9 B12 B8 110.3(4) . . . . ?
Br9 B9 B12 B10 -110.9(4) . . . . ?
Br9 B9 B12 B11 -148.3(4) . . . . ?
Br9 B9 B12 Br1 -1.1(6) . . . . ?
Br10 B10 B11 B4 -112.1(4) . . . . ?
Br10 B10 B11 B5 -149.5(4) . . . . ?
Br10 B10 B11 B7 147.4(4) . . . . ?
Br10 B10 B11 B12 110.0(4) . . . . ?
Br10 B10 B11 Br11 0.5(6) . . . . ?
Br10 B10 B12 B7 -149.7(4) . . . . ?
Br10 B10 B12 B8 146.6(3) . . . . ?
Br10 B10 B12 B9 109.7(4) . . . . ?
Br10 B10 B12 B11 -112.4(4) . . . . ?
Br10 B10 B12 Br1 -1.2(6) . . . . ?
Br11 B11 B12 B7 -110.2(4) . . . . ?
Br11 B11 B12 B8 -147.6(4) . . . . ?
Br11 B11 B12 B9 149.0(3) . . . . ?
Br11 B11 B12 B10 111.7(4) . . . . ?
Br11 B11 B12 Br1 1.9(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH3CN/diethyl ether'
####################################################################### 
# 
# 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_169pph
_database_code_depnum_ccdc_archive 'CCDC 1057644'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
_audit_creation_date             2015-03-27
_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         'C8 H17 B12 Br11 O, 2(C24 H20 P), C4 H10 O'
_chemical_formula_sum            'C60 H67 B12 Br11 O2 P2'
_chemical_formula_weight         1890.81
_chemical_melting_point          ?
_chemical_oxdiff_formula         B12Cl11OC56H57P2
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'
Br Br -0.2901 2.4595 '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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   12.0812(4)
_cell_length_b                   16.9930(5)
_cell_length_c                   18.4910(4)
_cell_angle_alpha                88.517(2)
_cell_angle_beta                 77.871(2)
_cell_angle_gamma                73.201(3)
_cell_volume                     3550.54(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    14399
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      28.9120
_cell_measurement_theta_min      2.4990
_exptl_absorpt_coefficient_mu    6.292
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1836
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35549
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.53
_diffrn_reflns_theta_min         2.01
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.833
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    2.00   77.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000   60.0000 75

#__ type_ start__ end____ width___ exp.time_
  2 omega   14.00   79.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  -30.0000 65

#__ type_ start__ end____ width___ exp.time_
  3 omega    6.00   71.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000  -90.0000 65

#__ type_ start__ end____ width___ exp.time_
  4 omega   -4.00   83.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000   90.0000 87

#__ type_ start__ end____ width___ exp.time_
  5 omega  -24.00   12.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       -8.5000   77.0000  -30.0000 36

#__ type_ start__ end____ width___ exp.time_
  6 omega  -34.00   -3.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -57.0000  120.0000 31

#__ type_ start__ end____ width___ exp.time_
  7 omega  -49.00   27.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -37.0000  150.0000 76

#__ type_ start__ end____ width___ exp.time_
  8 omega   20.00   52.00   1.0000   95.1650
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -99.0000 -180.0000 32
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0555065000
_diffrn_orient_matrix_UB_12      -0.0210114000
_diffrn_orient_matrix_UB_13      0.0083347000
_diffrn_orient_matrix_UB_21      -0.0117731000
_diffrn_orient_matrix_UB_22      -0.0381310000
_diffrn_orient_matrix_UB_23      -0.0033839000
_diffrn_orient_matrix_UB_31      0.0267973000
_diffrn_orient_matrix_UB_32      -0.0028746000
_diffrn_orient_matrix_UB_33      -0.0382180000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                11894
_reflns_number_total             16534
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.933
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         16534
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0364
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0250P)²+2.6280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0734
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,
 H53B), C54(H54A,H54B), C55(H55A,H55B), C57(H57A,H57B), C59(H59A,H59B)
2.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C2(H2), C3(H3), C4(H4),
 C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24)
2.c Idealised Me refined as rotating group:
 C56(H56A,H56B,H56C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
B1 B 0.8123(3) 0.2109(2) 0.2245(2) 0.0134(8) Uani 1 d . . .
B2 B 0.7785(3) 0.1282(2) 0.1818(2) 0.0124(8) Uani 1 d . . .
B3 B 0.7066(3) 0.2326(2) 0.1654(2) 0.0128(8) Uani 1 d . . .
B4 B 0.6713(3) 0.2915(2) 0.2498(2) 0.0119(8) Uani 1 d . . .
B5 B 0.7231(3) 0.2237(2) 0.3181(2) 0.0131(8) Uani 1 d . . .
B6 B 0.7893(3) 0.1227(2) 0.2762(2) 0.0140(9) Uani 1 d . . .
B7 B 0.6769(3) 0.0905(2) 0.2472(2) 0.0110(8) Uani 1 d . . .
B8 B 0.6256(3) 0.1585(2) 0.1781(2) 0.0111(8) Uani 1 d . . .
B9 B 0.5588(3) 0.2591(2) 0.2202(2) 0.0123(8) Uani 1 d . . .
B10 B 0.5699(3) 0.2532(2) 0.3147(2) 0.0118(8) Uani 1 d . . .
B11 B 0.6421(3) 0.1495(2) 0.3313(2) 0.0125(8) Uani 1 d . . .
B12 B 0.5406(3) 0.1711(2) 0.2699(2) 0.0120(8) Uani 1 d . . .
C49 C 1.0045(3) 0.2293(2) 0.2379(2) 0.0250(9) Uani 1 d . . .
H49A H 1.0829 0.1985 0.2116 0.030 Uiso 1 calc . . R
H49B H 0.9877 0.2043 0.2852 0.030 Uiso 1 calc . . R
C50 C 1.0008(3) 0.3193(3) 0.2507(2) 0.0298(10) Uani 1 d . . .
H50A H 1.0196 0.3435 0.2033 0.036 Uiso 1 calc . . R
H50B H 0.9214 0.3502 0.2753 0.036 Uiso 1 calc . . R
C51 C 1.0875(4) 0.3260(3) 0.2973(2) 0.0358(11) Uani 1 d . . .
H51A H 1.0655 0.3044 0.3456 0.043 Uiso 1 calc . . R
H51B H 1.1658 0.2918 0.2741 0.043 Uiso 1 calc . . R
C52 C 1.0929(4) 0.4127(3) 0.3078(3) 0.0420(12) Uani 1 d . . .
H52A H 1.1227 0.4319 0.2598 0.050 Uiso 1 calc . . R
H52B H 1.1496 0.4110 0.3384 0.050 Uiso 1 calc . . R
C53 C 0.9762(4) 0.4753(3) 0.3429(2) 0.0375(11) Uani 1 d . . .
H53A H 0.9878 0.5295 0.3417 0.045 Uiso 1 calc . . R
H53B H 0.9184 0.4760 0.3134 0.045 Uiso 1 calc . . R
C54 C 0.9277(4) 0.4580(3) 0.4214(2) 0.0388(12) Uani 1 d . . .
H54A H 0.9872 0.4549 0.4502 0.047 Uiso 1 calc . . R
H54B H 0.9136 0.4046 0.4220 0.047 Uiso 1 calc . . R
C55 C 0.8148(4) 0.5207(3) 0.4585(2) 0.0432(12) Uani 1 d . . .
H55A H 0.7986 0.5096 0.5108 0.052 Uiso 1 calc . . R
H55B H 0.8271 0.5747 0.4542 0.052 Uiso 1 calc . . R
C56 C 0.7083(4) 0.5229(3) 0.4285(3) 0.0520(15) Uani 1 d . . .
H56A H 0.7214 0.5365 0.3773 0.078 Uiso 1 calc . . GR
H56B H 0.6406 0.5637 0.4559 0.078 Uiso 1 calc . . GR
H56C H 0.6943 0.4700 0.4330 0.078 Uiso 1 calc . . GR
O1 O 0.9211(2) 0.22591(15) 0.19683(13) 0.0196(6) Uani 1 d . . .
Br1 Br 0.38856(3) 0.14797(2) 0.295245(19) 0.01799(8) Uani 1 d . . .
Br2 Br 0.42777(3) 0.33821(2) 0.18741(2) 0.02046(9) Uani 1 d . . .
Br3 Br 0.44997(3) 0.32495(2) 0.392326(19) 0.01870(8) Uani 1 d . . .
Br4 Br 0.60454(3) 0.10169(2) 0.427675(19) 0.01874(8) Uani 1 d . . .
Br5 Br 0.67713(3) -0.02459(2) 0.248374(19) 0.01695(8) Uani 1 d . . .
Br6 Br 0.57023(3) 0.12204(2) 0.096336(19) 0.01874(8) Uani 1 d . . .
Br7 Br 0.74500(3) 0.28014(2) 0.070014(19) 0.02050(9) Uani 1 d . . .
Br8 Br 0.66734(3) 0.40682(2) 0.25185(2) 0.01900(8) Uani 1 d . . .
Br9 Br 0.77273(3) 0.26133(2) 0.402125(19) 0.02020(9) Uani 1 d . . .
Br10 Br 0.92131(3) 0.04451(2) 0.30805(2) 0.01931(9) Uani 1 d . . .
Br11 Br 0.89771(3) 0.05620(2) 0.104482(19) 0.01886(9) Uani 1 d . . .
C25 C 0.0786(3) 0.7763(2) 0.25861(18) 0.0136(7) Uani 1 d . . .
C26 C 0.1733(3) 0.7284(2) 0.2058(2) 0.0221(9) Uani 1 d . . .
H26 H 0.2433 0.6993 0.2195 0.026 Uiso 1 calc . . R
C27 C 0.1621(3) 0.7248(3) 0.1331(2) 0.0265(10) Uani 1 d . . .
H27 H 0.2241 0.6921 0.0981 0.032 Uiso 1 calc . . R
C28 C 0.0601(3) 0.7692(2) 0.1123(2) 0.0246(9) Uani 1 d . . .
H28 H 0.0530 0.7658 0.0634 0.029 Uiso 1 calc . . R
C29 C -0.0322(3) 0.8188(2) 0.1637(2) 0.0268(10) Uani 1 d . . .
H29 H -0.1003 0.8501 0.1492 0.032 Uiso 1 calc . . R
C30 C -0.0231(3) 0.8219(2) 0.2369(2) 0.0233(9) Uani 1 d . . .
H30 H -0.0856 0.8547 0.2716 0.028 Uiso 1 calc . . R
C31 C 0.2070(3) 0.6898(2) 0.36754(19) 0.0161(8) Uani 1 d . . .
C32 C 0.2089(3) 0.6125(2) 0.3427(2) 0.0247(9) Uani 1 d . . .
H32 H 0.1480 0.6067 0.3218 0.030 Uiso 1 calc . . R
C33 C 0.3025(3) 0.5442(2) 0.3493(2) 0.0265(9) Uani 1 d . . .
H33 H 0.3052 0.4928 0.3315 0.032 Uiso 1 calc . . R
C34 C 0.3911(3) 0.5524(2) 0.3819(2) 0.0266(9) Uani 1 d . . .
H34 H 0.4536 0.5065 0.3861 0.032 Uiso 1 calc . . R
C35 C 0.3876(4) 0.6285(2) 0.4085(2) 0.0305(10) Uani 1 d . . .
H35 H 0.4467 0.6334 0.4316 0.037 Uiso 1 calc . . R
C36 C 0.2965(3) 0.6972(2) 0.4009(2) 0.0230(9) Uani 1 d . . .
H36 H 0.2951 0.7485 0.4181 0.028 Uiso 1 calc . . R
C37 C 0.1321(3) 0.8694(2) 0.37372(18) 0.0136(7) Uani 1 d . . .
C38 C 0.1787(3) 0.9143(2) 0.31849(19) 0.0147(8) Uani 1 d . . .
H38 H 0.1874 0.8993 0.2691 0.018 Uiso 1 calc . . R
C39 C 0.2128(3) 0.9815(2) 0.3360(2) 0.0228(9) Uani 1 d . . .
H39 H 0.2433 1.0121 0.2987 0.027 Uiso 1 calc . . R
C40 C 0.2008(3) 1.0025(2) 0.4098(2) 0.0241(9) Uani 1 d . . .
H40 H 0.2244 1.0470 0.4219 0.029 Uiso 1 calc . . R
C41 C 0.1542(3) 0.9582(2) 0.4655(2) 0.0220(9) Uani 1 d . . .
H41 H 0.1467 0.9729 0.5147 0.026 Uiso 1 calc . . R
C42 C 0.1185(3) 0.8921(2) 0.44792(19) 0.0161(8) Uani 1 d . . .
H42 H 0.0856 0.8628 0.4853 0.019 Uiso 1 calc . . R
C43 C -0.0454(3) 0.7854(2) 0.41526(18) 0.0153(8) Uani 1 d . . .
C44 C -0.0589(3) 0.7224(2) 0.46164(19) 0.0210(8) Uani 1 d . . .
H44 H 0.0037 0.6749 0.4603 0.025 Uiso 1 calc . . R
C45 C -0.1668(3) 0.7301(2) 0.5105(2) 0.0222(9) Uani 1 d . . .
H45 H -0.1759 0.6881 0.5423 0.027 Uiso 1 calc . . R
C46 C -0.2605(3) 0.8003(2) 0.51167(19) 0.0201(8) Uani 1 d . . .
H46 H -0.3327 0.8051 0.5439 0.024 Uiso 1 calc . . R
C47 C -0.2473(3) 0.8634(2) 0.46519(19) 0.0197(8) Uani 1 d . . .
H47 H -0.3108 0.9101 0.4657 0.024 Uiso 1 calc . . R
C48 C -0.1399(3) 0.8571(2) 0.41803(19) 0.0165(8) Uani 1 d . . .
H48 H -0.1302 0.9005 0.3881 0.020 Uiso 1 calc . . R
P2 P 0.09258(8) 0.77999(6) 0.35337(5) 0.01314(19) Uani 1 d . . .
C1 C 0.3183(3) 0.1981(2) 0.9354(2) 0.0200(8) Uani 1 d . . .
C2 C 0.2420(3) 0.2688(2) 0.9750(2) 0.0301(10) Uani 1 d . . .
H2 H 0.2600 0.3186 0.9693 0.036 Uiso 1 calc . . R
C3 C 0.1390(4) 0.2641(3) 1.0228(2) 0.0337(11) Uani 1 d . . .
H3 H 0.0885 0.3108 1.0499 0.040 Uiso 1 calc . . R
C4 C 0.1112(3) 0.1912(3) 1.0306(2) 0.0268(9) Uani 1 d . . .
H4 H 0.0426 0.1884 1.0633 0.032 Uiso 1 calc . . R
C5 C 0.1844(3) 0.1222(2) 0.9902(2) 0.0246(9) Uani 1 d . . .
H5 H 0.1639 0.0733 0.9946 0.030 Uiso 1 calc . . R
C6 C 0.2881(3) 0.1248(2) 0.94309(19) 0.0217(9) Uani 1 d . . .
H6 H 0.3379 0.0775 0.9165 0.026 Uiso 1 calc . . R
C7 C 0.4149(3) 0.2078(2) 0.7775(2) 0.0200(8) Uani 1 d . . .
C8 C 0.3035(4) 0.2498(3) 0.7673(2) 0.0348(11) Uani 1 d . . .
H8 H 0.2412 0.2683 0.8077 0.042 Uiso 1 calc . . R
C9 C 0.2854(5) 0.2643(3) 0.6949(3) 0.0504(14) Uani 1 d . . .
H9 H 0.2109 0.2932 0.6872 0.060 Uiso 1 calc . . R
C10 C 0.3772(6) 0.2358(3) 0.6358(3) 0.0540(15) Uani 1 d . . .
H10 H 0.3654 0.2472 0.5880 0.065 Uiso 1 calc . . R
C11 C 0.4859(5) 0.1907(3) 0.6459(2) 0.0448(13) Uani 1 d . . .
H11 H 0.5465 0.1689 0.6053 0.054 Uiso 1 calc . . R
C12 C 0.5055(4) 0.1777(3) 0.7165(2) 0.0306(10) Uani 1 d . . .
H12 H 0.5803 0.1484 0.7233 0.037 Uiso 1 calc . . R
C13 C 0.4782(3) 0.2981(2) 0.8843(2) 0.0181(8) Uani 1 d . . .
C14 C 0.4948(3) 0.3154(2) 0.9543(2) 0.0224(9) Uani 1 d . . .
H14 H 0.4854 0.2800 0.9927 0.027 Uiso 1 calc . . R
C15 C 0.5253(3) 0.3859(2) 0.9655(2) 0.0283(10) Uani 1 d . . .
H15 H 0.5373 0.3975 1.0116 0.034 Uiso 1 calc . . R
C16 C 0.5382(3) 0.4392(2) 0.9085(2) 0.0296(10) Uani 1 d . . .
H16 H 0.5587 0.4864 0.9165 0.036 Uiso 1 calc . . R
C17 C 0.5207(3) 0.4226(2) 0.8398(2) 0.0248(9) Uani 1 d . . .
H17 H 0.5285 0.4589 0.8019 0.030 Uiso 1 calc . . R
C18 C 0.4916(3) 0.3517(2) 0.8273(2) 0.0196(8) Uani 1 d . . .
H18 H 0.4810 0.3400 0.7808 0.023 Uiso 1 calc . . R
C19 C 0.5755(3) 0.1193(2) 0.87106(19) 0.0174(8) Uani 1 d . . .
C20 C 0.6726(3) 0.1325(2) 0.89290(19) 0.0198(8) Uani 1 d . . .
H20 H 0.6686 0.1846 0.9096 0.024 Uiso 1 calc . . R
C21 C 0.7747(3) 0.0683(2) 0.8897(2) 0.0217(9) Uani 1 d . . .
H21 H 0.8399 0.0774 0.9034 0.026 Uiso 1 calc . . R
C22 C 0.7797(3) -0.0097(2) 0.86622(19) 0.0205(8) Uani 1 d . . .
H22 H 0.8490 -0.0525 0.8632 0.025 Uiso 1 calc . . R
C23 C 0.6829(3) -0.0243(2) 0.8473(2) 0.0232(9) Uani 1 d . . .
H23 H 0.6857 -0.0773 0.8338 0.028 Uiso 1 calc . . R
C24 C 0.5810(3) 0.0403(2) 0.8484(2) 0.0229(9) Uani 1 d . . .
H24 H 0.5165 0.0309 0.8340 0.027 Uiso 1 calc . . R
P1 P 0.44627(8) 0.20399(6) 0.86851(5) 0.0175(2) Uani 1 d . . .
C57 C 0.8630(4) 0.4840(3) 0.0869(2) 0.0379(11) Uani 1 d . . .
H57A H 0.9436 0.4486 0.0728 0.045 Uiso 1 calc . . R
H57B H 0.8118 0.4497 0.1044 0.045 Uiso 1 calc . . R
C58 C 0.8543(5) 0.5434(3) 0.1471(3) 0.0531(14) Uani 1 d . . .
H58A H 0.9060 0.5766 0.1299 0.080 Uiso 1 calc . . GR
H58B H 0.8770 0.5138 0.1891 0.080 Uiso 1 calc . . GR
H58C H 0.7743 0.5780 0.1611 0.080 Uiso 1 calc . . GR
C59 C 0.8228(4) 0.4752(3) -0.0310(3) 0.0427(12) Uani 1 d . . .
H59A H 0.7589 0.4510 -0.0135 0.051 Uiso 1 calc . . R
H59B H 0.8961 0.4310 -0.0434 0.051 Uiso 1 calc . . R
C60 C 0.8019(5) 0.5229(3) -0.0979(3) 0.0578(15) Uani 1 d . . .
H60A H 0.8002 0.4867 -0.1364 0.087 Uiso 1 calc . . GR
H60B H 0.8644 0.5477 -0.1145 0.087 Uiso 1 calc . . GR
H60C H 0.7275 0.5651 -0.0860 0.087 Uiso 1 calc . . GR
O2 O 0.8293(3) 0.52703(18) 0.02512(17) 0.0408(8) Uani 1 d . . .


_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 B2 1.814(5) . ?
B1 B3 1.804(6) . ?
B1 B4 1.829(5) . ?
B1 B5 1.818(5) . ?
B1 B6 1.814(6) . ?
B1 O1 1.400(5) . ?
B2 B3 1.785(6) . ?
B2 B6 1.775(5) . ?
B2 B7 1.780(6) . ?
B2 B8 1.784(5) . ?
B2 Br11 1.955(4) . ?
B3 B4 1.782(5) . ?
B3 B8 1.788(6) . ?
B3 B9 1.793(5) . ?
B3 Br7 1.944(4) . ?
B4 B5 1.776(5) . ?
B4 B9 1.792(6) . ?
B4 B10 1.780(6) . ?
B4 Br8 1.947(4) . ?
B5 B6 1.789(5) . ?
B5 B10 1.786(5) . ?
B5 B11 1.791(6) . ?
B5 Br9 1.961(4) . ?
B6 B7 1.784(5) . ?
B6 B11 1.789(5) . ?
B6 Br10 1.946(4) . ?
B7 B8 1.787(5) . ?
B7 B11 1.778(5) . ?
B7 B12 1.789(5) . ?
B7 Br5 1.955(4) . ?
B8 B9 1.786(5) . ?
B8 B12 1.772(5) . ?
B8 Br6 1.957(4) . ?
B9 B10 1.779(5) . ?
B9 B12 1.779(6) . ?
B9 Br2 1.952(4) . ?
B10 B11 1.777(5) . ?
B10 B12 1.796(5) . ?
B10 Br3 1.960(4) . ?
B11 B12 1.797(5) . ?
B11 Br4 1.960(4) . ?
B12 Br1 1.948(4) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 C50 1.541(5) . ?
C49 O1 1.396(4) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.518(5) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.513(6) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.524(6) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C54 1.502(6) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 C55 1.507(6) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C55 C56 1.496(6) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C25 C26 1.399(4) . ?
C25 C30 1.383(5) . ?
C25 P2 1.799(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.384(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.372(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.383(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.383(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.395(5) . ?
C31 C36 1.388(5) . ?
C31 P2 1.799(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.390(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.375(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.381(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.382(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.381(5) . ?
C37 C42 1.398(4) . ?
C37 P2 1.789(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.388(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.386(5) . ?
C40 H40 0.9300 . ?
C40 C41 1.380(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.383(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.380(5) . ?
C43 C48 1.402(5) . ?
C43 P2 1.792(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.395(5) . ?
C45 H45 0.9300 . ?
C45 C46 1.384(5) . ?
C46 H46 0.9300 . ?
C46 C47 1.380(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.380(5) . ?
C48 H48 0.9300 . ?
C1 C2 1.397(5) . ?
C1 C6 1.391(5) . ?
C1 P1 1.792(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.389(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.372(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.378(5) . ?
C7 C12 1.385(5) . ?
C7 P1 1.797(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.405(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.366(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.364(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.376(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.400(5) . ?
C13 C18 1.390(5) . ?
C13 P1 1.794(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.383(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.385(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.387(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.395(5) . ?
C19 C24 1.396(5) . ?
C19 P1 1.799(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.386(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.378(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.389(5) . ?
C24 H24 0.9300 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.489(6) . ?
C57 O2 1.409(5) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.488(6) . ?
C59 O2 1.407(5) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?

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 B4 105.2(3) . . ?
B2 B1 B5 105.1(3) . . ?
B2 B1 B6 58.6(2) . . ?
B3 B1 B2 59.1(2) . . ?
B3 B1 B4 58.7(2) . . ?
B3 B1 B5 104.8(3) . . ?
B3 B1 B6 105.2(3) . . ?
B5 B1 B4 58.3(2) . . ?
B6 B1 B4 105.0(3) . . ?
B6 B1 B5 59.0(2) . . ?
O1 B1 B2 118.6(3) . . ?
O1 B1 B3 117.3(3) . . ?
O1 B1 B4 124.1(3) . . ?
O1 B1 B5 130.2(3) . . ?
O1 B1 B6 126.4(3) . . ?
B1 B2 Br11 120.1(2) . . ?
B3 B2 B1 60.2(2) . . ?
B3 B2 Br11 121.6(2) . . ?
B6 B2 B1 60.7(2) . . ?
B6 B2 B3 107.7(3) . . ?
B6 B2 B7 60.2(2) . . ?
B6 B2 B8 108.3(3) . . ?
B6 B2 Br11 122.1(2) . . ?
B7 B2 B1 109.7(2) . . ?
B7 B2 B3 108.1(3) . . ?
B7 B2 B8 60.2(2) . . ?
B7 B2 Br11 121.7(2) . . ?
B8 B2 B1 109.5(3) . . ?
B8 B2 B3 60.1(2) . . ?
B8 B2 Br11 121.2(2) . . ?
B1 B3 Br7 119.2(2) . . ?
B2 B3 B1 60.7(2) . . ?
B2 B3 B8 59.9(2) . . ?
B2 B3 B9 108.0(3) . . ?
B2 B3 Br7 121.4(2) . . ?
B4 B3 B1 61.3(2) . . ?
B4 B3 B2 108.5(3) . . ?
B4 B3 B8 108.2(3) . . ?
B4 B3 B9 60.2(2) . . ?
B4 B3 Br7 121.5(3) . . ?
B8 B3 B1 109.7(3) . . ?
B8 B3 B9 59.8(2) . . ?
B8 B3 Br7 121.9(2) . . ?
B9 B3 B1 110.2(3) . . ?
B9 B3 Br7 122.0(2) . . ?
B1 B4 Br8 120.5(2) . . ?
B3 B4 B1 59.9(2) . . ?
B3 B4 B9 60.2(2) . . ?
B3 B4 Br8 122.2(3) . . ?
B5 B4 B1 60.5(2) . . ?
B5 B4 B3 107.5(3) . . ?
B5 B4 B9 108.1(3) . . ?
B5 B4 B10 60.3(2) . . ?
B5 B4 Br8 121.6(2) . . ?
B9 B4 B1 109.1(3) . . ?
B9 B4 Br8 121.6(2) . . ?
B10 B4 B1 109.3(3) . . ?
B10 B4 B3 107.7(3) . . ?
B10 B4 B9 59.7(2) . . ?
B10 B4 Br8 121.6(2) . . ?
B1 B5 Br9 122.7(3) . . ?
B4 B5 B1 61.2(2) . . ?
B4 B5 B6 108.3(3) . . ?
B4 B5 B10 60.0(2) . . ?
B4 B5 B11 107.8(3) . . ?
B4 B5 Br9 122.2(2) . . ?
B6 B5 B1 60.4(2) . . ?
B6 B5 B11 60.0(2) . . ?
B6 B5 Br9 122.5(2) . . ?
B10 B5 B1 109.5(3) . . ?
B10 B5 B6 107.8(3) . . ?
B10 B5 B11 59.6(2) . . ?
B10 B5 Br9 119.7(2) . . ?
B11 B5 B1 109.1(3) . . ?
B11 B5 Br9 119.9(2) . . ?
B1 B6 Br10 119.9(2) . . ?
B2 B6 B1 60.7(2) . . ?
B2 B6 B5 107.9(3) . . ?
B2 B6 B7 60.0(2) . . ?
B2 B6 B11 107.6(3) . . ?
B2 B6 Br10 121.5(2) . . ?
B5 B6 B1 60.6(2) . . ?
B5 B6 B11 60.1(2) . . ?
B5 B6 Br10 122.0(2) . . ?
B7 B6 B1 109.5(3) . . ?
B7 B6 B5 107.9(3) . . ?
B7 B6 B11 59.7(2) . . ?
B7 B6 Br10 121.7(2) . . ?
B11 B6 B1 109.3(3) . . ?
B11 B6 Br10 122.2(3) . . ?
B2 B7 B6 59.7(2) . . ?
B2 B7 B8 60.0(2) . . ?
B2 B7 B12 107.9(3) . . ?
B2 B7 Br5 123.1(2) . . ?
B6 B7 B8 107.8(3) . . ?
B6 B7 B12 108.7(3) . . ?
B6 B7 Br5 121.9(2) . . ?
B8 B7 B12 59.4(2) . . ?
B8 B7 Br5 122.5(2) . . ?
B11 B7 B2 107.9(3) . . ?
B11 B7 B6 60.3(2) . . ?
B11 B7 B8 107.7(3) . . ?
B11 B7 B12 60.5(2) . . ?
B11 B7 Br5 120.6(2) . . ?
B12 B7 Br5 120.4(2) . . ?
B2 B8 B3 60.0(2) . . ?
B2 B8 B7 59.8(2) . . ?
B2 B8 B9 108.3(3) . . ?
B2 B8 Br6 121.6(2) . . ?
B3 B8 Br6 121.3(2) . . ?
B7 B8 B3 107.7(3) . . ?
B7 B8 Br6 122.4(2) . . ?
B9 B8 B3 60.2(2) . . ?
B9 B8 B7 108.1(2) . . ?
B9 B8 Br6 121.2(2) . . ?
B12 B8 B2 108.5(3) . . ?
B12 B8 B3 108.2(3) . . ?
B12 B8 B7 60.4(2) . . ?
B12 B8 B9 60.0(2) . . ?
B12 B8 Br6 121.6(2) . . ?
B3 B9 Br2 121.7(2) . . ?
B4 B9 B3 59.6(2) . . ?
B4 B9 Br2 121.2(2) . . ?
B8 B9 B3 60.0(2) . . ?
B8 B9 B4 107.8(3) . . ?
B8 B9 Br2 122.1(2) . . ?
B10 B9 B3 107.3(3) . . ?
B10 B9 B4 59.8(2) . . ?
B10 B9 B8 107.8(3) . . ?
B10 B9 Br2 122.1(2) . . ?
B12 B9 B3 107.7(3) . . ?
B12 B9 B4 108.5(3) . . ?
B12 B9 B8 59.6(2) . . ?
B12 B9 B10 60.6(2) . . ?
B12 B9 Br2 122.0(2) . . ?
B4 B10 B5 59.7(2) . . ?
B4 B10 B12 108.3(3) . . ?
B4 B10 Br3 121.5(2) . . ?
B5 B10 B12 108.6(3) . . ?
B5 B10 Br3 121.3(2) . . ?
B9 B10 B4 60.5(2) . . ?
B9 B10 B5 108.2(3) . . ?
B9 B10 B12 59.7(2) . . ?
B9 B10 Br3 121.9(2) . . ?
B11 B10 B4 108.2(3) . . ?
B11 B10 B5 60.3(2) . . ?
B11 B10 B9 108.2(3) . . ?
B11 B10 B12 60.4(2) . . ?
B11 B10 Br3 121.4(2) . . ?
B12 B10 Br3 121.7(2) . . ?
B5 B11 B12 108.3(3) . . ?
B5 B11 Br4 121.7(2) . . ?
B6 B11 B5 60.0(2) . . ?
B6 B11 B12 108.1(3) . . ?
B6 B11 Br4 121.8(2) . . ?
B7 B11 B5 108.1(3) . . ?
B7 B11 B6 60.0(2) . . ?
B7 B11 B12 60.1(2) . . ?
B7 B11 Br4 121.6(3) . . ?
B10 B11 B5 60.1(2) . . ?
B10 B11 B6 108.1(3) . . ?
B10 B11 B7 108.4(3) . . ?
B10 B11 B12 60.3(2) . . ?
B10 B11 Br4 121.5(2) . . ?
B12 B11 Br4 121.4(3) . . ?
B7 B12 B10 107.0(3) . . ?
B7 B12 B11 59.4(2) . . ?
B7 B12 Br1 121.7(2) . . ?
B8 B12 B7 60.2(2) . . ?
B8 B12 B9 60.4(2) . . ?
B8 B12 B10 107.6(3) . . ?
B8 B12 B11 107.5(3) . . ?
B8 B12 Br1 122.0(2) . . ?
B9 B12 B7 108.3(3) . . ?
B9 B12 B10 59.7(2) . . ?
B9 B12 B11 107.3(3) . . ?
B9 B12 Br1 122.0(2) . . ?
B10 B12 B11 59.3(2) . . ?
B10 B12 Br1 122.3(2) . . ?
B11 B12 Br1 122.0(3) . . ?
H49A C49 H49B 108.1 . . ?
C50 C49 H49A 109.6 . . ?
C50 C49 H49B 109.6 . . ?
O1 C49 H49A 109.6 . . ?
O1 C49 H49B 109.6 . . ?
O1 C49 C50 110.1(3) . . ?
C49 C50 H50A 109.2 . . ?
C49 C50 H50B 109.2 . . ?
H50A C50 H50B 107.9 . . ?
C51 C50 C49 111.9(3) . . ?
C51 C50 H50A 109.2 . . ?
C51 C50 H50B 109.2 . . ?
C50 C51 H51A 108.7 . . ?
C50 C51 H51B 108.7 . . ?
H51A C51 H51B 107.6 . . ?
C52 C51 C50 114.1(4) . . ?
C52 C51 H51A 108.7 . . ?
C52 C51 H51B 108.7 . . ?
C51 C52 H52A 108.3 . . ?
C51 C52 H52B 108.3 . . ?
C51 C52 C53 115.7(4) . . ?
H52A C52 H52B 107.4 . . ?
C53 C52 H52A 108.3 . . ?
C53 C52 H52B 108.3 . . ?
C52 C53 H53A 108.8 . . ?
C52 C53 H53B 108.8 . . ?
H53A C53 H53B 107.7 . . ?
C54 C53 C52 113.7(4) . . ?
C54 C53 H53A 108.8 . . ?
C54 C53 H53B 108.8 . . ?
C53 C54 H54A 108.5 . . ?
C53 C54 H54B 108.5 . . ?
C53 C54 C55 114.9(4) . . ?
H54A C54 H54B 107.5 . . ?
C55 C54 H54A 108.5 . . ?
C55 C54 H54B 108.5 . . ?
C54 C55 H55A 108.4 . . ?
C54 C55 H55B 108.4 . . ?
H55A C55 H55B 107.5 . . ?
C56 C55 C54 115.3(4) . . ?
C56 C55 H55A 108.4 . . ?
C56 C55 H55B 108.4 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C49 O1 B1 126.1(3) . . ?
C26 C25 P2 119.5(3) . . ?
C30 C25 C26 119.6(3) . . ?
C30 C25 P2 120.9(2) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.6(3) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 119.9(3) . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.3(3) . . ?
C25 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C32 C31 P2 120.4(3) . . ?
C36 C31 C32 119.6(3) . . ?
C36 C31 P2 120.0(3) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.7(4) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.2(4) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.2(3) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.2(4) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 120.0(4) . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C42 119.8(3) . . ?
C38 C37 P2 121.9(3) . . ?
C42 C37 P2 118.3(3) . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(3) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.5 . . ?
C40 C39 C38 119.0(4) . . ?
C40 C39 H39 120.5 . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 120.9(4) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 119.9(3) . . ?
C42 C41 H41 120.0 . . ?
C37 C42 H42 120.1 . . ?
C41 C42 C37 119.7(3) . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C48 119.8(3) . . ?
C44 C43 P2 121.7(3) . . ?
C48 C43 P2 118.5(3) . . ?
C43 C44 H44 120.1 . . ?
C43 C44 C45 119.8(3) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0(4) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.9 . . ?
C47 C46 C45 120.2(3) . . ?
C47 C46 H46 119.9 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.1(3) . . ?
C48 C47 H47 120.0 . . ?
C43 C48 H48 120.0 . . ?
C47 C48 C43 120.0(3) . . ?
C47 C48 H48 120.0 . . ?
C31 P2 C25 107.90(16) . . ?
C37 P2 C25 111.44(16) . . ?
C37 P2 C31 108.92(16) . . ?
C37 P2 C43 106.60(15) . . ?
C43 P2 C25 110.65(16) . . ?
C43 P2 C31 111.36(17) . . ?
C2 C1 P1 120.1(3) . . ?
C6 C1 C2 119.5(4) . . ?
C6 C1 P1 120.1(3) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(4) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 H6 120.0 . . ?
C8 C7 C12 119.6(4) . . ?
C8 C7 P1 119.8(3) . . ?
C12 C7 P1 120.1(3) . . ?
C7 C8 H8 120.4 . . ?
C7 C8 C9 119.1(4) . . ?
C9 C8 H8 120.4 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(5) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(5) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.8(5) . . ?
C12 C11 H11 120.1 . . ?
C7 C12 H12 119.7 . . ?
C11 C12 C7 120.6(4) . . ?
C11 C12 H12 119.7 . . ?
C14 C13 P1 119.2(3) . . ?
C18 C13 C14 120.0(4) . . ?
C18 C13 P1 120.7(3) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.5(4) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(4) . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 119.9(3) . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C24 119.4(3) . . ?
C20 C19 P1 120.4(3) . . ?
C24 C19 P1 120.1(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 119.9(4) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.8(4) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 120.0(4) . . ?
C23 C24 H24 120.0 . . ?
C1 P1 C7 109.34(17) . . ?
C1 P1 C13 109.36(17) . . ?
C1 P1 C19 113.16(17) . . ?
C7 P1 C19 109.34(16) . . ?
C13 P1 C7 106.81(18) . . ?
C13 P1 C19 108.64(17) . . ?
H57A C57 H57B 108.2 . . ?
C58 C57 H57A 109.7 . . ?
C58 C57 H57B 109.7 . . ?
O2 C57 H57A 109.7 . . ?
O2 C57 H57B 109.7 . . ?
O2 C57 C58 109.8(4) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
H59A C59 H59B 108.2 . . ?
C60 C59 H59A 109.6 . . ?
C60 C59 H59B 109.6 . . ?
O2 C59 H59A 109.6 . . ?
O2 C59 H59B 109.6 . . ?
O2 C59 C60 110.1(4) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 O2 C57 113.0(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 B2 B3 B4 -39.8(3) . . . . ?
B1 B2 B3 B8 -140.6(3) . . . . ?
B1 B2 B3 B9 -103.6(3) . . . . ?
B1 B2 B3 Br7 108.2(3) . . . . ?
B1 B2 B6 B5 39.3(3) . . . . ?
B1 B2 B6 B7 140.1(3) . . . . ?
B1 B2 B6 B11 102.7(3) . . . . ?
B1 B2 B6 Br10 -109.0(3) . . . . ?
B1 B2 B7 B6 -36.5(2) . . . . ?
B1 B2 B7 B8 101.7(3) . . . . ?
B1 B2 B7 B11 1.2(3) . . . . ?
B1 B2 B7 B12 65.2(3) . . . . ?
B1 B2 B7 Br5 -147.0(2) . . . . ?
B1 B2 B8 B3 35.8(2) . . . . ?
B1 B2 B8 B7 -102.1(3) . . . . ?
B1 B2 B8 B9 -1.5(4) . . . . ?
B1 B2 B8 B12 -65.1(3) . . . . ?
B1 B2 B8 Br6 146.2(3) . . . . ?
B1 B3 B4 B5 -38.9(3) . . . . ?
B1 B3 B4 B9 -140.1(3) . . . . ?
B1 B3 B4 B10 -102.5(3) . . . . ?
B1 B3 B4 Br8 109.2(3) . . . . ?
B1 B3 B8 B2 -36.0(2) . . . . ?
B1 B3 B8 B7 1.4(3) . . . . ?
B1 B3 B8 B9 102.5(3) . . . . ?
B1 B3 B8 B12 65.2(3) . . . . ?
B1 B3 B8 Br6 -146.9(2) . . . . ?
B1 B3 B9 B4 36.8(3) . . . . ?
B1 B3 B9 B8 -101.6(3) . . . . ?
B1 B3 B9 B10 -0.7(4) . . . . ?
B1 B3 B9 B12 -64.6(3) . . . . ?
B1 B3 B9 Br2 147.0(3) . . . . ?
B1 B4 B5 B6 -39.0(3) . . . . ?
B1 B4 B5 B10 -139.4(3) . . . . ?
B1 B4 B5 B11 -102.5(3) . . . . ?
B1 B4 B5 Br9 112.4(3) . . . . ?
B1 B4 B9 B3 -36.0(3) . . . . ?
B1 B4 B9 B8 1.1(4) . . . . ?
B1 B4 B9 B10 101.7(3) . . . . ?
B1 B4 B9 B12 64.2(3) . . . . ?
B1 B4 B9 Br2 -146.8(2) . . . . ?
B1 B4 B10 B5 36.9(2) . . . . ?
B1 B4 B10 B9 -101.4(3) . . . . ?
B1 B4 B10 B11 -0.4(4) . . . . ?
B1 B4 B10 B12 -64.3(3) . . . . ?
B1 B4 B10 Br3 147.2(2) . . . . ?
B1 B5 B6 B2 -39.4(3) . . . . ?
B1 B5 B6 B7 -102.8(3) . . . . ?
B1 B5 B6 B11 -139.8(3) . . . . ?
B1 B5 B6 Br10 108.8(3) . . . . ?
B1 B5 B10 B4 -37.2(3) . . . . ?
B1 B5 B10 B9 0.3(4) . . . . ?
B1 B5 B10 B11 101.2(3) . . . . ?
B1 B5 B10 B12 63.5(3) . . . . ?
B1 B5 B10 Br3 -148.0(3) . . . . ?
B1 B5 B11 B6 36.4(3) . . . . ?
B1 B5 B11 B7 -0.8(3) . . . . ?
B1 B5 B11 B10 -101.9(3) . . . . ?
B1 B5 B11 B12 -64.3(3) . . . . ?
B1 B5 B11 Br4 147.4(2) . . . . ?
B1 B6 B7 B2 36.4(2) . . . . ?
B1 B6 B7 B8 -0.9(3) . . . . ?
B1 B6 B7 B11 -101.5(3) . . . . ?
B1 B6 B7 B12 -63.8(3) . . . . ?
B1 B6 B7 Br5 148.9(2) . . . . ?
B1 B6 B11 B5 -36.6(3) . . . . ?
B1 B6 B11 B7 101.9(3) . . . . ?
B1 B6 B11 B10 0.7(4) . . . . ?
B1 B6 B11 B12 64.5(3) . . . . ?
B1 B6 B11 Br4 -147.5(2) . . . . ?
B2 B1 B3 B4 136.2(3) . . . . ?
B2 B1 B3 B8 35.7(2) . . . . ?
B2 B1 B3 B9 99.8(3) . . . . ?
B2 B1 B3 Br7 -111.7(3) . . . . ?
B2 B1 B4 B3 -38.0(3) . . . . ?
B2 B1 B4 B5 98.5(3) . . . . ?
B2 B1 B4 B9 -2.0(3) . . . . ?
B2 B1 B4 B10 61.7(3) . . . . ?
B2 B1 B4 Br8 -150.0(2) . . . . ?
B2 B1 B5 B4 -98.8(3) . . . . ?
B2 B1 B5 B6 37.7(2) . . . . ?
B2 B1 B5 B10 -62.1(3) . . . . ?
B2 B1 B5 B11 1.4(3) . . . . ?
B2 B1 B5 Br9 149.5(2) . . . . ?
B2 B1 B6 B5 -136.2(3) . . . . ?
B2 B1 B6 B7 -36.2(2) . . . . ?
B2 B1 B6 B11 -99.8(3) . . . . ?
B2 B1 B6 Br10 111.7(3) . . . . ?
B2 B1 O1 C49 -125.8(3) . . . . ?
B2 B3 B4 B1 39.6(3) . . . . ?
B2 B3 B4 B5 0.7(4) . . . . ?
B2 B3 B4 B9 -100.6(3) . . . . ?
B2 B3 B4 B10 -62.9(3) . . . . ?
B2 B3 B4 Br8 148.7(3) . . . . ?
B2 B3 B8 B7 37.4(2) . . . . ?
B2 B3 B8 B9 138.5(3) . . . . ?
B2 B3 B8 B12 101.2(3) . . . . ?
B2 B3 B8 Br6 -110.9(3) . . . . ?
B2 B3 B9 B4 101.4(3) . . . . ?
B2 B3 B9 B8 -37.0(3) . . . . ?
B2 B3 B9 B10 63.9(3) . . . . ?
B2 B3 B9 B12 0.0(4) . . . . ?
B2 B3 B9 Br2 -148.4(3) . . . . ?
B2 B6 B7 B8 -37.4(2) . . . . ?
B2 B6 B7 B11 -137.9(3) . . . . ?
B2 B6 B7 B12 -100.3(3) . . . . ?
B2 B6 B7 Br5 112.5(3) . . . . ?
B2 B6 B11 B5 -100.9(3) . . . . ?
B2 B6 B11 B7 37.5(3) . . . . ?
B2 B6 B11 B10 -63.7(3) . . . . ?
B2 B6 B11 B12 0.2(4) . . . . ?
B2 B6 B11 Br4 148.2(3) . . . . ?
B2 B7 B8 B3 -37.5(2) . . . . ?
B2 B7 B8 B9 -101.1(3) . . . . ?
B2 B7 B8 B12 -138.9(3) . . . . ?
B2 B7 B8 Br6 110.4(3) . . . . ?
B2 B7 B11 B5 -0.3(3) . . . . ?
B2 B7 B11 B6 -37.5(3) . . . . ?
B2 B7 B11 B10 63.3(3) . . . . ?
B2 B7 B11 B12 100.9(3) . . . . ?
B2 B7 B11 Br4 -148.5(2) . . . . ?
B2 B7 B12 B8 36.8(3) . . . . ?
B2 B7 B12 B9 -1.2(3) . . . . ?
B2 B7 B12 B10 -64.1(3) . . . . ?
B2 B7 B12 B11 -100.9(3) . . . . ?
B2 B7 B12 Br1 148.1(2) . . . . ?
B2 B8 B9 B3 37.1(3) . . . . ?
B2 B8 B9 B4 0.2(4) . . . . ?
B2 B8 B9 B10 -62.9(3) . . . . ?
B2 B8 B9 B12 -101.2(3) . . . . ?
B2 B8 B9 Br2 147.8(3) . . . . ?
B2 B8 B12 B7 -36.8(3) . . . . ?
B2 B8 B12 B9 100.9(3) . . . . ?
B2 B8 B12 B10 63.1(3) . . . . ?
B2 B8 B12 B11 0.6(4) . . . . ?
B2 B8 B12 Br1 -147.7(3) . . . . ?
B3 B1 B2 B6 -136.4(3) . . . . ?
B3 B1 B2 B7 -100.1(3) . . . . ?
B3 B1 B2 B8 -35.7(3) . . . . ?
B3 B1 B2 Br11 111.4(3) . . . . ?
B3 B1 B4 B5 136.6(3) . . . . ?
B3 B1 B4 B9 36.1(3) . . . . ?
B3 B1 B4 B10 99.7(3) . . . . ?
B3 B1 B4 Br8 -111.9(3) . . . . ?
B3 B1 B5 B4 -37.4(3) . . . . ?
B3 B1 B5 B6 99.1(3) . . . . ?
B3 B1 B5 B10 -0.7(4) . . . . ?
B3 B1 B5 B11 62.9(3) . . . . ?
B3 B1 B5 Br9 -149.1(3) . . . . ?
B3 B1 B6 B2 37.9(2) . . . . ?
B3 B1 B6 B5 -98.3(3) . . . . ?
B3 B1 B6 B7 1.7(3) . . . . ?
B3 B1 B6 B11 -62.0(3) . . . . ?
B3 B1 B6 Br10 149.5(2) . . . . ?
B3 B1 O1 C49 166.3(3) . . . . ?
B3 B2 B6 B1 -38.9(3) . . . . ?
B3 B2 B6 B5 0.4(4) . . . . ?
B3 B2 B6 B7 101.1(3) . . . . ?
B3 B2 B6 B11 63.8(3) . . . . ?
B3 B2 B6 Br10 -148.0(3) . . . . ?
B3 B2 B7 B6 -100.5(3) . . . . ?
B3 B2 B7 B8 37.7(2) . . . . ?
B3 B2 B7 B11 -62.8(3) . . . . ?
B3 B2 B7 B12 1.2(3) . . . . ?
B3 B2 B7 Br5 149.0(2) . . . . ?
B3 B2 B8 B7 -137.9(3) . . . . ?
B3 B2 B8 B9 -37.2(3) . . . . ?
B3 B2 B8 B12 -100.8(3) . . . . ?
B3 B2 B8 Br6 110.5(3) . . . . ?
B3 B4 B5 B1 38.6(3) . . . . ?
B3 B4 B5 B6 -0.4(4) . . . . ?
B3 B4 B5 B10 -100.8(3) . . . . ?
B3 B4 B5 B11 -63.9(3) . . . . ?
B3 B4 B5 Br9 151.0(2) . . . . ?
B3 B4 B9 B8 37.1(3) . . . . ?
B3 B4 B9 B10 137.7(3) . . . . ?
B3 B4 B9 B12 100.1(3) . . . . ?
B3 B4 B9 Br2 -110.9(3) . . . . ?
B3 B4 B10 B5 100.5(3) . . . . ?
B3 B4 B10 B9 -37.8(3) . . . . ?
B3 B4 B10 B11 63.1(3) . . . . ?
B3 B4 B10 B12 -0.8(4) . . . . ?
B3 B4 B10 Br3 -149.2(2) . . . . ?
B3 B8 B9 B4 -36.9(3) . . . . ?
B3 B8 B9 B10 -100.1(3) . . . . ?
B3 B8 B9 B12 -138.3(3) . . . . ?
B3 B8 B9 Br2 110.7(3) . . . . ?
B3 B8 B12 B7 -100.4(3) . . . . ?
B3 B8 B12 B9 37.4(3) . . . . ?
B3 B8 B12 B10 -0.4(4) . . . . ?
B3 B8 B12 B11 -62.9(3) . . . . ?
B3 B8 B12 Br1 148.8(2) . . . . ?
B3 B9 B10 B4 37.5(3) . . . . ?
B3 B9 B10 B5 0.3(4) . . . . ?
B3 B9 B10 B11 -63.6(3) . . . . ?
B3 B9 B10 B12 -101.0(3) . . . . ?
B3 B9 B10 Br3 148.3(3) . . . . ?
B3 B9 B12 B7 0.8(4) . . . . ?
B3 B9 B12 B8 -37.2(2) . . . . ?
B3 B9 B12 B10 100.2(3) . . . . ?
B3 B9 B12 B11 63.5(3) . . . . ?
B3 B9 B12 Br1 -148.5(2) . . . . ?
B4 B1 B2 B3 37.8(2) . . . . ?
B4 B1 B2 B6 -98.5(3) . . . . ?
B4 B1 B2 B7 -62.2(3) . . . . ?
B4 B1 B2 B8 2.1(3) . . . . ?
B4 B1 B2 Br11 149.3(2) . . . . ?
B4 B1 B3 B2 -136.2(3) . . . . ?
B4 B1 B3 B8 -100.4(3) . . . . ?
B4 B1 B3 B9 -36.3(3) . . . . ?
B4 B1 B3 Br7 112.1(3) . . . . ?
B4 B1 B5 B6 136.5(3) . . . . ?
B4 B1 B5 B10 36.7(3) . . . . ?
B4 B1 B5 B11 100.3(3) . . . . ?
B4 B1 B5 Br9 -111.7(3) . . . . ?
B4 B1 B6 B2 98.9(3) . . . . ?
B4 B1 B6 B5 -37.3(2) . . . . ?
B4 B1 B6 B7 62.8(3) . . . . ?
B4 B1 B6 B11 -0.9(3) . . . . ?
B4 B1 B6 Br10 -149.4(2) . . . . ?
B4 B1 O1 C49 97.1(4) . . . . ?
B4 B3 B8 B2 -101.3(3) . . . . ?
B4 B3 B8 B7 -63.8(3) . . . . ?
B4 B3 B8 B9 37.3(2) . . . . ?
B4 B3 B8 B12 -0.1(3) . . . . ?
B4 B3 B8 Br6 147.8(2) . . . . ?
B4 B3 B9 B8 -138.5(3) . . . . ?
B4 B3 B9 B10 -37.6(3) . . . . ?
B4 B3 B9 B12 -101.5(3) . . . . ?
B4 B3 B9 Br2 110.1(3) . . . . ?
B4 B5 B6 B1 39.4(3) . . . . ?
B4 B5 B6 B2 0.0(4) . . . . ?
B4 B5 B6 B7 -63.4(3) . . . . ?
B4 B5 B6 B11 -100.4(3) . . . . ?
B4 B5 B6 Br10 148.2(3) . . . . ?
B4 B5 B10 B9 37.5(3) . . . . ?
B4 B5 B10 B11 138.5(3) . . . . ?
B4 B5 B10 B12 100.8(3) . . . . ?
B4 B5 B10 Br3 -110.7(3) . . . . ?
B4 B5 B11 B6 101.3(3) . . . . ?
B4 B5 B11 B7 64.1(3) . . . . ?
B4 B5 B11 B10 -37.1(2) . . . . ?
B4 B5 B11 B12 0.5(3) . . . . ?
B4 B5 B11 Br4 -147.7(2) . . . . ?
B4 B9 B10 B5 -37.2(3) . . . . ?
B4 B9 B10 B11 -101.1(3) . . . . ?
B4 B9 B10 B12 -138.5(3) . . . . ?
B4 B9 B10 Br3 110.8(3) . . . . ?
B4 B9 B12 B7 -62.3(3) . . . . ?
B4 B9 B12 B8 -100.2(3) . . . . ?
B4 B9 B12 B10 37.2(2) . . . . ?
B4 B9 B12 B11 0.4(3) . . . . ?
B4 B9 B12 Br1 148.5(2) . . . . ?
B4 B10 B11 B5 37.1(2) . . . . ?
B4 B10 B11 B6 -0.2(3) . . . . ?
B4 B10 B11 B7 -63.7(3) . . . . ?
B4 B10 B11 B12 -101.1(3) . . . . ?
B4 B10 B11 Br4 148.1(2) . . . . ?
B4 B10 B12 B7 64.2(3) . . . . ?
B4 B10 B12 B8 0.8(4) . . . . ?
B4 B10 B12 B9 -37.4(2) . . . . ?
B4 B10 B12 B11 101.0(3) . . . . ?
B4 B10 B12 Br1 -148.3(3) . . . . ?
B5 B1 B2 B3 98.4(3) . . . . ?
B5 B1 B2 B6 -37.9(2) . . . . ?
B5 B1 B2 B7 -1.6(3) . . . . ?
B5 B1 B2 B8 62.7(3) . . . . ?
B5 B1 B2 Br11 -150.2(2) . . . . ?
B5 B1 B3 B2 -99.0(3) . . . . ?
B5 B1 B3 B4 37.2(3) . . . . ?
B5 B1 B3 B8 -63.2(3) . . . . ?
B5 B1 B3 B9 0.9(4) . . . . ?
B5 B1 B3 Br7 149.3(2) . . . . ?
B5 B1 B4 B3 -136.6(3) . . . . ?
B5 B1 B4 B9 -100.5(3) . . . . ?
B5 B1 B4 B10 -36.8(3) . . . . ?
B5 B1 B4 Br8 111.5(3) . . . . ?
B5 B1 B6 B2 136.2(3) . . . . ?
B5 B1 B6 B7 100.0(3) . . . . ?
B5 B1 B6 B11 36.4(3) . . . . ?
B5 B1 B6 Br10 -112.1(3) . . . . ?
B5 B1 O1 C49 22.2(6) . . . . ?
B5 B4 B9 B3 -100.2(3) . . . . ?
B5 B4 B9 B8 -63.2(3) . . . . ?
B5 B4 B9 B10 37.4(2) . . . . ?
B5 B4 B9 B12 -0.1(3) . . . . ?
B5 B4 B9 Br2 148.9(2) . . . . ?
B5 B4 B10 B9 -138.3(3) . . . . ?
B5 B4 B10 B11 -37.3(2) . . . . ?
B5 B4 B10 B12 -101.3(3) . . . . ?
B5 B4 B10 Br3 110.3(3) . . . . ?
B5 B6 B7 B2 100.8(3) . . . . ?
B5 B6 B7 B8 63.4(3) . . . . ?
B5 B6 B7 B11 -37.2(3) . . . . ?
B5 B6 B7 B12 0.5(4) . . . . ?
B5 B6 B7 Br5 -146.7(2) . . . . ?
B5 B6 B11 B7 138.4(3) . . . . ?
B5 B6 B11 B10 37.3(3) . . . . ?
B5 B6 B11 B12 101.1(3) . . . . ?
B5 B6 B11 Br4 -110.9(3) . . . . ?
B5 B10 B11 B6 -37.2(2) . . . . ?
B5 B10 B11 B7 -100.8(3) . . . . ?
B5 B10 B11 B12 -138.2(3) . . . . ?
B5 B10 B11 Br4 111.1(3) . . . . ?
B5 B10 B12 B7 0.9(4) . . . . ?
B5 B10 B12 B8 -62.5(3) . . . . ?
B5 B10 B12 B9 -100.7(3) . . . . ?
B5 B10 B12 B11 37.7(3) . . . . ?
B5 B10 B12 Br1 148.4(3) . . . . ?
B5 B11 B12 B7 100.8(3) . . . . ?
B5 B11 B12 B8 63.0(3) . . . . ?
B5 B11 B12 B9 -0.6(3) . . . . ?
B5 B11 B12 B10 -37.5(2) . . . . ?
B5 B11 B12 Br1 -148.7(2) . . . . ?
B6 B1 B2 B3 136.4(3) . . . . ?
B6 B1 B2 B7 36.3(3) . . . . ?
B6 B1 B2 B8 100.6(3) . . . . ?
B6 B1 B2 Br11 -112.2(3) . . . . ?
B6 B1 B3 B2 -37.6(2) . . . . ?
B6 B1 B3 B4 98.5(3) . . . . ?
B6 B1 B3 B8 -1.9(3) . . . . ?
B6 B1 B3 B9 62.2(3) . . . . ?
B6 B1 B3 Br7 -149.4(2) . . . . ?
B6 B1 B4 B3 -98.9(3) . . . . ?
B6 B1 B4 B5 37.6(3) . . . . ?
B6 B1 B4 B9 -62.9(3) . . . . ?
B6 B1 B4 B10 0.8(3) . . . . ?
B6 B1 B4 Br8 149.1(2) . . . . ?
B6 B1 B5 B4 -136.5(3) . . . . ?
B6 B1 B5 B10 -99.8(3) . . . . ?
B6 B1 B5 B11 -36.3(3) . . . . ?
B6 B1 B5 Br9 111.8(3) . . . . ?
B6 B1 O1 C49 -55.4(5) . . . . ?
B6 B2 B3 B1 39.2(3) . . . . ?
B6 B2 B3 B4 -0.6(4) . . . . ?
B6 B2 B3 B8 -101.4(3) . . . . ?
B6 B2 B3 B9 -64.4(3) . . . . ?
B6 B2 B3 Br7 147.4(3) . . . . ?
B6 B2 B7 B8 138.2(3) . . . . ?
B6 B2 B7 B11 37.7(3) . . . . ?
B6 B2 B7 B12 101.7(3) . . . . ?
B6 B2 B7 Br5 -110.5(3) . . . . ?
B6 B2 B8 B3 100.3(3) . . . . ?
B6 B2 B8 B7 -37.6(3) . . . . ?
B6 B2 B8 B9 63.1(3) . . . . ?
B6 B2 B8 B12 -0.5(4) . . . . ?
B6 B2 B8 Br6 -149.2(3) . . . . ?
B6 B5 B10 B4 -101.3(3) . . . . ?
B6 B5 B10 B9 -63.8(3) . . . . ?
B6 B5 B10 B11 37.1(3) . . . . ?
B6 B5 B10 B12 -0.6(4) . . . . ?
B6 B5 B10 Br3 147.9(3) . . . . ?
B6 B5 B11 B7 -37.2(2) . . . . ?
B6 B5 B11 B10 -138.4(3) . . . . ?
B6 B5 B11 B12 -100.8(3) . . . . ?
B6 B5 B11 Br4 111.0(3) . . . . ?
B6 B7 B8 B2 37.2(2) . . . . ?
B6 B7 B8 B3 -0.3(3) . . . . ?
B6 B7 B8 B9 -63.9(3) . . . . ?
B6 B7 B8 B12 -101.6(3) . . . . ?
B6 B7 B8 Br6 147.6(2) . . . . ?
B6 B7 B11 B5 37.2(3) . . . . ?
B6 B7 B11 B10 100.8(3) . . . . ?
B6 B7 B11 B12 138.3(3) . . . . ?
B6 B7 B11 Br4 -111.1(3) . . . . ?
B6 B7 B12 B8 100.1(3) . . . . ?
B6 B7 B12 B9 62.1(3) . . . . ?
B6 B7 B12 B10 -0.9(4) . . . . ?
B6 B7 B12 B11 -37.6(3) . . . . ?
B6 B7 B12 Br1 -148.6(3) . . . . ?
B6 B11 B12 B7 37.3(3) . . . . ?
B6 B11 B12 B8 -0.5(4) . . . . ?
B6 B11 B12 B9 -64.1(3) . . . . ?
B6 B11 B12 B10 -101.0(3) . . . . ?
B6 B11 B12 Br1 147.8(2) . . . . ?
B7 B2 B3 B1 102.8(3) . . . . ?
B7 B2 B3 B4 63.0(3) . . . . ?
B7 B2 B3 B8 -37.7(2) . . . . ?
B7 B2 B3 B9 -0.7(3) . . . . ?
B7 B2 B3 Br7 -148.9(2) . . . . ?
B7 B2 B6 B1 -140.1(3) . . . . ?
B7 B2 B6 B5 -100.7(3) . . . . ?
B7 B2 B6 B11 -37.3(3) . . . . ?
B7 B2 B6 Br10 110.9(3) . . . . ?
B7 B2 B8 B3 137.9(3) . . . . ?
B7 B2 B8 B9 100.7(3) . . . . ?
B7 B2 B8 B12 37.1(3) . . . . ?
B7 B2 B8 Br6 -111.6(3) . . . . ?
B7 B6 B11 B5 -138.4(3) . . . . ?
B7 B6 B11 B10 -101.2(3) . . . . ?
B7 B6 B11 B12 -37.3(3) . . . . ?
B7 B6 B11 Br4 110.7(3) . . . . ?
B7 B8 B9 B3 100.4(3) . . . . ?
B7 B8 B9 B4 63.5(3) . . . . ?
B7 B8 B9 B10 0.4(4) . . . . ?
B7 B8 B9 B12 -37.9(3) . . . . ?
B7 B8 B9 Br2 -148.9(3) . . . . ?
B7 B8 B12 B9 137.8(3) . . . . ?
B7 B8 B12 B10 99.9(3) . . . . ?
B7 B8 B12 B11 37.4(3) . . . . ?
B7 B8 B12 Br1 -110.9(3) . . . . ?
B7 B11 B12 B8 -37.8(3) . . . . ?
B7 B11 B12 B9 -101.4(3) . . . . ?
B7 B11 B12 B10 -138.3(3) . . . . ?
B7 B11 B12 Br1 110.5(3) . . . . ?
B8 B2 B3 B1 140.6(3) . . . . ?
B8 B2 B3 B4 100.7(3) . . . . ?
B8 B2 B3 B9 37.0(2) . . . . ?
B8 B2 B3 Br7 -111.2(3) . . . . ?
B8 B2 B6 B1 -102.5(3) . . . . ?
B8 B2 B6 B5 -63.2(3) . . . . ?
B8 B2 B6 B7 37.5(3) . . . . ?
B8 B2 B6 B11 0.2(4) . . . . ?
B8 B2 B6 Br10 148.5(3) . . . . ?
B8 B2 B7 B6 -138.2(3) . . . . ?
B8 B2 B7 B11 -100.5(3) . . . . ?
B8 B2 B7 B12 -36.5(2) . . . . ?
B8 B2 B7 Br5 111.3(3) . . . . ?
B8 B3 B4 B1 103.0(3) . . . . ?
B8 B3 B4 B5 64.1(3) . . . . ?
B8 B3 B4 B9 -37.1(3) . . . . ?
B8 B3 B4 B10 0.5(3) . . . . ?
B8 B3 B4 Br8 -147.8(2) . . . . ?
B8 B3 B9 B4 138.5(3) . . . . ?
B8 B3 B9 B10 100.9(3) . . . . ?
B8 B3 B9 B12 37.0(2) . . . . ?
B8 B3 B9 Br2 -111.4(3) . . . . ?
B8 B7 B11 B5 -63.7(3) . . . . ?
B8 B7 B11 B6 -100.8(3) . . . . ?
B8 B7 B11 B10 0.0(4) . . . . ?
B8 B7 B11 B12 37.5(3) . . . . ?
B8 B7 B11 Br4 148.1(2) . . . . ?
B8 B7 B12 B9 -38.0(3) . . . . ?
B8 B7 B12 B10 -100.9(3) . . . . ?
B8 B7 B12 B11 -137.7(3) . . . . ?
B8 B7 B12 Br1 111.3(3) . . . . ?
B8 B9 B10 B4 100.7(3) . . . . ?
B8 B9 B10 B5 63.5(3) . . . . ?
B8 B9 B10 B11 -0.4(4) . . . . ?
B8 B9 B10 B12 -37.8(2) . . . . ?
B8 B9 B10 Br3 -148.5(2) . . . . ?
B8 B9 B12 B7 37.9(2) . . . . ?
B8 B9 B12 B10 137.4(3) . . . . ?
B8 B9 B12 B11 100.6(3) . . . . ?
B8 B9 B12 Br1 -111.3(3) . . . . ?
B9 B3 B4 B1 140.1(3) . . . . ?
B9 B3 B4 B5 101.2(3) . . . . ?
B9 B3 B4 B10 37.6(3) . . . . ?
B9 B3 B4 Br8 -110.7(3) . . . . ?
B9 B3 B8 B2 -138.5(3) . . . . ?
B9 B3 B8 B7 -101.1(3) . . . . ?
B9 B3 B8 B12 -37.3(3) . . . . ?
B9 B3 B8 Br6 110.6(3) . . . . ?
B9 B4 B5 B1 102.2(3) . . . . ?
B9 B4 B5 B6 63.2(3) . . . . ?
B9 B4 B5 B10 -37.2(2) . . . . ?
B9 B4 B5 B11 -0.3(3) . . . . ?
B9 B4 B5 Br9 -145.4(2) . . . . ?
B9 B4 B10 B5 138.3(3) . . . . ?
B9 B4 B10 B11 101.0(3) . . . . ?
B9 B4 B10 B12 37.1(2) . . . . ?
B9 B4 B10 Br3 -111.4(3) . . . . ?
B9 B8 B12 B7 -137.8(3) . . . . ?
B9 B8 B12 B10 -37.8(3) . . . . ?
B9 B8 B12 B11 -100.3(3) . . . . ?
B9 B8 B12 Br1 111.4(3) . . . . ?
B9 B10 B11 B5 101.1(3) . . . . ?
B9 B10 B11 B6 63.8(3) . . . . ?
B9 B10 B11 B7 0.3(4) . . . . ?
B9 B10 B11 B12 -37.1(3) . . . . ?
B9 B10 B11 Br4 -147.9(3) . . . . ?
B9 B10 B12 B7 101.6(3) . . . . ?
B9 B10 B12 B8 38.2(3) . . . . ?
B9 B10 B12 B11 138.4(3) . . . . ?
B9 B10 B12 Br1 -110.9(3) . . . . ?
B10 B4 B5 B1 139.4(3) . . . . ?
B10 B4 B5 B6 100.3(3) . . . . ?
B10 B4 B5 B11 36.9(2) . . . . ?
B10 B4 B5 Br9 -108.2(3) . . . . ?
B10 B4 B9 B3 -137.7(3) . . . . ?
B10 B4 B9 B8 -100.6(3) . . . . ?
B10 B4 B9 B12 -37.5(2) . . . . ?
B10 B4 B9 Br2 111.4(3) . . . . ?
B10 B5 B6 B1 102.8(3) . . . . ?
B10 B5 B6 B2 63.5(3) . . . . ?
B10 B5 B6 B7 0.0(4) . . . . ?
B10 B5 B6 B11 -37.0(3) . . . . ?
B10 B5 B6 Br10 -148.4(3) . . . . ?
B10 B5 B11 B6 138.4(3) . . . . ?
B10 B5 B11 B7 101.2(3) . . . . ?
B10 B5 B11 B12 37.6(2) . . . . ?
B10 B5 B11 Br4 -110.6(3) . . . . ?
B10 B9 B12 B7 -99.5(3) . . . . ?
B10 B9 B12 B8 -137.4(3) . . . . ?
B10 B9 B12 B11 -36.7(2) . . . . ?
B10 B9 B12 Br1 111.3(3) . . . . ?
B10 B11 B12 B7 138.3(3) . . . . ?
B10 B11 B12 B8 100.5(3) . . . . ?
B10 B11 B12 B9 36.9(2) . . . . ?
B10 B11 B12 Br1 -111.2(3) . . . . ?
B11 B5 B6 B1 139.8(3) . . . . ?
B11 B5 B6 B2 100.4(3) . . . . ?
B11 B5 B6 B7 37.0(3) . . . . ?
B11 B5 B6 Br10 -111.4(3) . . . . ?
B11 B5 B10 B4 -138.5(3) . . . . ?
B11 B5 B10 B9 -101.0(3) . . . . ?
B11 B5 B10 B12 -37.7(2) . . . . ?
B11 B5 B10 Br3 110.8(3) . . . . ?
B11 B6 B7 B2 137.9(3) . . . . ?
B11 B6 B7 B8 100.6(3) . . . . ?
B11 B6 B7 B12 37.7(3) . . . . ?
B11 B6 B7 Br5 -109.6(3) . . . . ?
B11 B7 B8 B2 100.9(3) . . . . ?
B11 B7 B8 B3 63.4(3) . . . . ?
B11 B7 B8 B9 -0.2(4) . . . . ?
B11 B7 B8 B12 -38.0(3) . . . . ?
B11 B7 B8 Br6 -148.7(2) . . . . ?
B11 B7 B12 B8 137.7(3) . . . . ?
B11 B7 B12 B9 99.7(3) . . . . ?
B11 B7 B12 B10 36.7(3) . . . . ?
B11 B7 B12 Br1 -111.0(3) . . . . ?
B11 B10 B12 B7 -36.8(2) . . . . ?
B11 B10 B12 B8 -100.2(3) . . . . ?
B11 B10 B12 B9 -138.4(3) . . . . ?
B11 B10 B12 Br1 110.7(3) . . . . ?
B12 B7 B8 B2 138.9(3) . . . . ?
B12 B7 B8 B3 101.4(3) . . . . ?
B12 B7 B8 B9 37.8(3) . . . . ?
B12 B7 B8 Br6 -110.7(3) . . . . ?
B12 B7 B11 B5 -101.1(3) . . . . ?
B12 B7 B11 B6 -138.3(3) . . . . ?
B12 B7 B11 B10 -37.5(3) . . . . ?
B12 B7 B11 Br4 110.6(3) . . . . ?
B12 B8 B9 B3 138.3(3) . . . . ?
B12 B8 B9 B4 101.4(3) . . . . ?
B12 B8 B9 B10 38.3(3) . . . . ?
B12 B8 B9 Br2 -111.0(3) . . . . ?
B12 B9 B10 B4 138.5(3) . . . . ?
B12 B9 B10 B5 101.3(3) . . . . ?
B12 B9 B10 B11 37.4(3) . . . . ?
B12 B9 B10 Br3 -110.7(3) . . . . ?
B12 B10 B11 B5 138.2(3) . . . . ?
B12 B10 B11 B6 100.9(3) . . . . ?
B12 B10 B11 B7 37.4(3) . . . . ?
B12 B10 B11 Br4 -110.8(3) . . . . ?
C49 C50 C51 C52 176.5(4) . . . . ?
C50 C49 O1 B1 -104.3(4) . . . . ?
C50 C51 C52 C53 57.6(5) . . . . ?
C51 C52 C53 C54 65.1(5) . . . . ?
C52 C53 C54 C55 177.7(4) . . . . ?
C53 C54 C55 C56 68.2(6) . . . . ?
O1 B1 B2 B3 -106.4(4) . . . . ?
O1 B1 B2 B6 117.3(4) . . . . ?
O1 B1 B2 B7 153.6(3) . . . . ?
O1 B1 B2 B8 -142.1(3) . . . . ?
O1 B1 B2 Br11 5.1(4) . . . . ?
O1 B1 B3 B2 108.7(3) . . . . ?
O1 B1 B3 B4 -115.2(3) . . . . ?
O1 B1 B3 B8 144.4(3) . . . . ?
O1 B1 B3 B9 -151.5(3) . . . . ?
O1 B1 B3 Br7 -3.1(4) . . . . ?
O1 B1 B4 B3 103.6(4) . . . . ?
O1 B1 B4 B5 -119.8(4) . . . . ?
O1 B1 B4 B9 139.7(3) . . . . ?
O1 B1 B4 B10 -156.6(3) . . . . ?
O1 B1 B4 Br8 -8.3(5) . . . . ?
O1 B1 B5 B4 110.0(4) . . . . ?
O1 B1 B5 B6 -113.5(4) . . . . ?
O1 B1 B5 B10 146.7(4) . . . . ?
O1 B1 B5 B11 -149.8(3) . . . . ?
O1 B1 B5 Br9 -1.7(5) . . . . ?
O1 B1 B6 B2 -104.3(4) . . . . ?
O1 B1 B6 B5 119.5(4) . . . . ?
O1 B1 B6 B7 -140.5(3) . . . . ?
O1 B1 B6 B11 155.8(3) . . . . ?
O1 B1 B6 Br10 7.3(5) . . . . ?
O1 C49 C50 C51 178.2(3) . . . . ?
Br2 B9 B10 B4 -110.1(3) . . . . ?
Br2 B9 B10 B5 -147.3(3) . . . . ?
Br2 B9 B10 B11 148.9(3) . . . . ?
Br2 B9 B10 B12 111.4(3) . . . . ?
Br2 B9 B10 Br3 0.8(4) . . . . ?
Br2 B9 B12 B7 149.0(2) . . . . ?
Br2 B9 B12 B8 111.1(3) . . . . ?
Br2 B9 B12 B10 -111.5(3) . . . . ?
Br2 B9 B12 B11 -148.2(2) . . . . ?
Br2 B9 B12 Br1 -0.2(4) . . . . ?
Br3 B10 B11 B5 -110.6(3) . . . . ?
Br3 B10 B11 B6 -147.9(2) . . . . ?
Br3 B10 B11 B7 148.6(2) . . . . ?
Br3 B10 B11 B12 111.2(3) . . . . ?
Br3 B10 B11 Br4 0.4(4) . . . . ?
Br3 B10 B12 B7 -147.5(2) . . . . ?
Br3 B10 B12 B8 149.1(2) . . . . ?
Br3 B10 B12 B9 111.0(3) . . . . ?
Br3 B10 B12 B11 -110.7(3) . . . . ?
Br3 B10 B12 Br1 0.0(4) . . . . ?
Br4 B11 B12 B7 -110.8(3) . . . . ?
Br4 B11 B12 B8 -148.6(2) . . . . ?
Br4 B11 B12 B9 147.8(2) . . . . ?
Br4 B11 B12 B10 110.9(3) . . . . ?
Br4 B11 B12 Br1 -0.3(4) . . . . ?
Br5 B7 B8 B2 -112.4(3) . . . . ?
Br5 B7 B8 B3 -149.9(2) . . . . ?
Br5 B7 B8 B9 146.5(2) . . . . ?
Br5 B7 B8 B12 108.7(3) . . . . ?
Br5 B7 B8 Br6 -2.0(4) . . . . ?
Br5 B7 B11 B5 148.9(2) . . . . ?
Br5 B7 B11 B6 111.7(3) . . . . ?
Br5 B7 B11 B10 -147.5(2) . . . . ?
Br5 B7 B11 B12 -110.0(3) . . . . ?
Br5 B7 B11 Br4 0.7(4) . . . . ?
Br5 B7 B12 B8 -112.1(3) . . . . ?
Br5 B7 B12 B9 -150.1(2) . . . . ?
Br5 B7 B12 B10 147.0(2) . . . . ?
Br5 B7 B12 B11 110.2(3) . . . . ?
Br5 B7 B12 Br1 -0.7(4) . . . . ?
Br6 B8 B9 B3 -110.7(3) . . . . ?
Br6 B8 B9 B4 -147.6(2) . . . . ?
Br6 B8 B9 B10 149.3(2) . . . . ?
Br6 B8 B9 B12 111.0(3) . . . . ?
Br6 B8 B9 Br2 0.0(4) . . . . ?
Br6 B8 B12 B7 111.9(3) . . . . ?
Br6 B8 B12 B9 -110.4(3) . . . . ?
Br6 B8 B12 B10 -148.2(2) . . . . ?
Br6 B8 B12 B11 149.3(2) . . . . ?
Br6 B8 B12 Br1 1.0(4) . . . . ?
Br7 B3 B4 B1 -108.5(3) . . . . ?
Br7 B3 B4 B5 -147.4(3) . . . . ?
Br7 B3 B4 B9 111.4(3) . . . . ?
Br7 B3 B4 B10 149.0(2) . . . . ?
Br7 B3 B4 Br8 0.7(4) . . . . ?
Br7 B3 B8 B2 110.4(3) . . . . ?
Br7 B3 B8 B7 147.8(2) . . . . ?
Br7 B3 B8 B9 -111.1(3) . . . . ?
Br7 B3 B8 B12 -148.4(2) . . . . ?
Br7 B3 B8 Br6 -0.5(4) . . . . ?
Br7 B3 B9 B4 -110.6(3) . . . . ?
Br7 B3 B9 B8 111.0(3) . . . . ?
Br7 B3 B9 B10 -148.1(3) . . . . ?
Br7 B3 B9 B12 148.0(2) . . . . ?
Br7 B3 B9 Br2 -0.4(4) . . . . ?
Br8 B4 B5 B1 -109.7(3) . . . . ?
Br8 B4 B5 B6 -148.7(2) . . . . ?
Br8 B4 B5 B10 110.9(3) . . . . ?
Br8 B4 B5 B11 147.8(2) . . . . ?
Br8 B4 B5 Br9 2.7(4) . . . . ?
Br8 B4 B9 B3 111.6(3) . . . . ?
Br8 B4 B9 B8 148.7(2) . . . . ?
Br8 B4 B9 B10 -110.7(3) . . . . ?
Br8 B4 B9 B12 -148.2(2) . . . . ?
Br8 B4 B9 Br2 0.8(4) . . . . ?
Br8 B4 B10 B5 -111.0(3) . . . . ?
Br8 B4 B10 B9 110.7(3) . . . . ?
Br8 B4 B10 B11 -148.3(2) . . . . ?
Br8 B4 B10 B12 147.8(2) . . . . ?
Br8 B4 B10 Br3 -0.7(4) . . . . ?
Br9 B5 B6 B1 -111.9(3) . . . . ?
Br9 B5 B6 B2 -151.3(3) . . . . ?
Br9 B5 B6 B7 145.3(3) . . . . ?
Br9 B5 B6 B11 108.3(3) . . . . ?
Br9 B5 B6 Br10 -3.2(4) . . . . ?
Br9 B5 B10 B4 112.3(3) . . . . ?
Br9 B5 B10 B9 149.8(3) . . . . ?
Br9 B5 B10 B11 -109.3(3) . . . . ?
Br9 B5 B10 B12 -147.0(3) . . . . ?
Br9 B5 B10 Br3 1.5(4) . . . . ?
Br9 B5 B11 B6 -112.6(3) . . . . ?
Br9 B5 B11 B7 -149.8(2) . . . . ?
Br9 B5 B11 B10 109.0(3) . . . . ?
Br9 B5 B11 B12 146.6(2) . . . . ?
Br9 B5 B11 Br4 -1.6(4) . . . . ?
Br10 B6 B7 B2 -110.7(3) . . . . ?
Br10 B6 B7 B8 -148.0(2) . . . . ?
Br10 B6 B7 B11 111.4(3) . . . . ?
Br10 B6 B7 B12 149.0(2) . . . . ?
Br10 B6 B7 Br5 1.8(4) . . . . ?
Br10 B6 B11 B5 111.1(3) . . . . ?
Br10 B6 B11 B7 -110.5(3) . . . . ?
Br10 B6 B11 B10 148.3(2) . . . . ?
Br10 B6 B11 B12 -147.8(2) . . . . ?
Br10 B6 B11 Br4 0.2(4) . . . . ?
Br11 B2 B3 B1 -109.1(3) . . . . ?
Br11 B2 B3 B4 -148.9(3) . . . . ?
Br11 B2 B3 B8 110.4(3) . . . . ?
Br11 B2 B3 B9 147.4(2) . . . . ?
Br11 B2 B3 Br7 -0.9(4) . . . . ?
Br11 B2 B6 B1 109.1(3) . . . . ?
Br11 B2 B6 B5 148.5(3) . . . . ?
Br11 B2 B6 B7 -110.8(3) . . . . ?
Br11 B2 B6 B11 -148.1(3) . . . . ?
Br11 B2 B6 Br10 0.1(4) . . . . ?
Br11 B2 B7 B6 111.5(3) . . . . ?
Br11 B2 B7 B8 -110.4(3) . . . . ?
Br11 B2 B7 B11 149.2(2) . . . . ?
Br11 B2 B7 B12 -146.9(2) . . . . ?
Br11 B2 B7 Br5 1.0(4) . . . . ?
Br11 B2 B8 B3 -111.0(3) . . . . ?
Br11 B2 B8 B7 111.1(3) . . . . ?
Br11 B2 B8 B9 -148.2(3) . . . . ?
Br11 B2 B8 B12 148.2(3) . . . . ?
Br11 B2 B8 Br6 -0.5(4) . . . . ?
C25 C26 C27 C28 1.5(6) . . . . ?
C26 C25 C30 C29 1.4(6) . . . . ?
C26 C25 P2 C31 -21.9(4) . . . . ?
C26 C25 P2 C37 97.6(3) . . . . ?
C26 C25 P2 C43 -144.0(3) . . . . ?
C26 C27 C28 C29 0.8(7) . . . . ?
C27 C28 C29 C30 -2.0(7) . . . . ?
C28 C29 C30 C25 0.9(6) . . . . ?
C30 C25 C26 C27 -2.5(6) . . . . ?
C30 C25 P2 C31 159.9(3) . . . . ?
C30 C25 P2 C37 -80.5(3) . . . . ?
C30 C25 P2 C43 37.9(4) . . . . ?
C31 C32 C33 C34 1.8(6) . . . . ?
C32 C31 C36 C35 0.8(6) . . . . ?
C32 C31 P2 C25 -47.0(3) . . . . ?
C32 C31 P2 C37 -168.1(3) . . . . ?
C32 C31 P2 C43 74.6(3) . . . . ?
C32 C33 C34 C35 0.1(6) . . . . ?
C33 C34 C35 C36 -1.5(6) . . . . ?
C34 C35 C36 C31 1.1(6) . . . . ?
C36 C31 C32 C33 -2.2(6) . . . . ?
C36 C31 P2 C25 130.6(3) . . . . ?
C36 C31 P2 C37 9.4(3) . . . . ?
C36 C31 P2 C43 -107.8(3) . . . . ?
C37 C38 C39 C40 0.8(5) . . . . ?
C38 C37 C42 C41 -1.4(5) . . . . ?
C38 C37 P2 C25 -17.4(3) . . . . ?
C38 C37 P2 C31 101.5(3) . . . . ?
C38 C37 P2 C43 -138.2(3) . . . . ?
C38 C39 C40 C41 -0.9(5) . . . . ?
C39 C40 C41 C42 -0.2(6) . . . . ?
C40 C41 C42 C37 1.3(5) . . . . ?
C42 C37 C38 C39 0.4(5) . . . . ?
C42 C37 P2 C25 164.7(3) . . . . ?
C42 C37 P2 C31 -76.4(3) . . . . ?
C42 C37 P2 C43 43.9(3) . . . . ?
C43 C44 C45 C46 0.9(5) . . . . ?
C44 C43 C48 C47 -2.3(5) . . . . ?
C44 C43 P2 C25 114.4(3) . . . . ?
C44 C43 P2 C31 -5.6(3) . . . . ?
C44 C43 P2 C37 -124.3(3) . . . . ?
C44 C45 C46 C47 -0.7(5) . . . . ?
C45 C46 C47 C48 -0.9(5) . . . . ?
C46 C47 C48 C43 2.4(5) . . . . ?
C48 C43 C44 C45 0.6(5) . . . . ?
C48 C43 P2 C25 -68.1(3) . . . . ?
C48 C43 P2 C31 171.9(3) . . . . ?
C48 C43 P2 C37 53.3(3) . . . . ?
P2 C25 C26 C27 179.3(3) . . . . ?
P2 C25 C30 C29 179.5(3) . . . . ?
P2 C31 C32 C33 175.4(3) . . . . ?
P2 C31 C36 C35 -176.8(3) . . . . ?
P2 C37 C38 C39 -177.5(3) . . . . ?
P2 C37 C42 C41 176.6(3) . . . . ?
P2 C43 C44 C45 178.1(3) . . . . ?
P2 C43 C48 C47 -179.9(3) . . . . ?
C1 C2 C3 C4 -1.0(7) . . . . ?
C2 C1 C6 C5 -0.9(6) . . . . ?
C2 C1 P1 C7 -98.9(3) . . . . ?
C2 C1 P1 C13 17.7(4) . . . . ?
C2 C1 P1 C19 138.9(3) . . . . ?
C2 C3 C4 C5 -0.9(6) . . . . ?
C3 C4 C5 C6 1.8(6) . . . . ?
C4 C5 C6 C1 -1.0(6) . . . . ?
C6 C1 C2 C3 1.8(6) . . . . ?
C6 C1 P1 C7 74.8(3) . . . . ?
C6 C1 P1 C13 -168.6(3) . . . . ?
C6 C1 P1 C19 -47.4(4) . . . . ?
C7 C8 C9 C10 0.9(7) . . . . ?
C8 C7 C12 C11 1.3(6) . . . . ?
C8 C7 P1 C1 36.0(4) . . . . ?
C8 C7 P1 C13 -82.2(4) . . . . ?
C8 C7 P1 C19 160.4(3) . . . . ?
C8 C9 C10 C11 2.3(8) . . . . ?
C9 C10 C11 C12 -3.8(7) . . . . ?
C10 C11 C12 C7 1.9(7) . . . . ?
C12 C7 C8 C9 -2.7(6) . . . . ?
C12 C7 P1 C1 -152.0(3) . . . . ?
C12 C7 P1 C13 89.8(3) . . . . ?
C12 C7 P1 C19 -27.6(4) . . . . ?
C13 C14 C15 C16 0.7(5) . . . . ?
C14 C13 C18 C17 -0.3(5) . . . . ?
C14 C13 P1 C1 55.6(3) . . . . ?
C14 C13 P1 C7 173.8(3) . . . . ?
C14 C13 P1 C19 -68.3(3) . . . . ?
C14 C15 C16 C17 0.0(6) . . . . ?
C15 C16 C17 C18 -0.8(6) . . . . ?
C16 C17 C18 C13 1.0(5) . . . . ?
C18 C13 C14 C15 -0.5(5) . . . . ?
C18 C13 P1 C1 -127.1(3) . . . . ?
C18 C13 P1 C7 -8.9(3) . . . . ?
C18 C13 P1 C19 108.9(3) . . . . ?
C19 C20 C21 C22 -1.3(5) . . . . ?
C20 C19 C24 C23 -0.4(5) . . . . ?
C20 C19 P1 C1 -113.6(3) . . . . ?
C20 C19 P1 C7 124.3(3) . . . . ?
C20 C19 P1 C13 8.1(3) . . . . ?
C20 C21 C22 C23 -1.3(6) . . . . ?
C21 C22 C23 C24 3.0(6) . . . . ?
C22 C23 C24 C19 -2.2(6) . . . . ?
C24 C19 C20 C21 2.1(5) . . . . ?
C24 C19 P1 C1 68.9(3) . . . . ?
C24 C19 P1 C7 -53.2(3) . . . . ?
C24 C19 P1 C13 -169.4(3) . . . . ?
P1 C1 C2 C3 175.6(3) . . . . ?
P1 C1 C6 C5 -174.6(3) . . . . ?
P1 C7 C8 C9 169.3(3) . . . . ?
P1 C7 C12 C11 -170.7(3) . . . . ?
P1 C13 C14 C15 176.8(3) . . . . ?
P1 C13 C18 C17 -177.5(3) . . . . ?
P1 C19 C20 C21 -175.4(3) . . . . ?
P1 C19 C24 C23 177.1(3) . . . . ?
C58 C57 O2 C59 -173.5(4) . . . . ?
C60 C59 O2 C57 -172.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH3CN/diethyl ether'
