# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2010815'
loop_
_audit_author_name
_audit_author_address
'Shinsuke Inagi'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2020-06-19 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H10 B10 F10'
_chemical_formula_weight         476.32

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'
F F 0.0171 0.0103 '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'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7685(13)
_cell_length_b                   10.2940(14)
_cell_length_c                   11.1361(15)
_cell_angle_alpha                116.860(3)
_cell_angle_beta                 94.106(4)
_cell_angle_gamma                90.486(4)
_cell_volume                     995.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4882
_cell_measurement_theta_min      6.02
_cell_measurement_theta_max      27.51

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_F_000             468
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.150
_shelx_estimated_absorpt_T_min   0.956
_shelx_estimated_absorpt_T_max   0.956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7298
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'rigaku raxis rapid'
_diffrn_measurement_method       'oscillation method'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9889
_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.016
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             4540
_reflns_number_gt                2055
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'RAPID AUTO'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXT Version 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0893P)²+0.1595P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4540
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1412
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.2085
_refine_ls_wR_factor_gt          0.1493
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
F1 F 0.5773(2) 0.6363(3) 0.3634(2) 0.0989(7) Uani 1 1 d . . . . .
F2 F 0.2188(2) 0.8870(3) 0.2628(2) 0.0984(8) Uani 1 1 d . . . . .
F3 F 0.3016(3) 0.3627(2) 0.3660(3) 0.1028(8) Uani 1 1 d . . . . .
F4 F 0.5553(3) 0.6823(3) -0.0317(2) 0.1096(8) Uani 1 1 d . . . . .
F5 F -0.0259(2) 0.6301(2) 0.2482(3) 0.1104(9) Uani 1 1 d . . . . .
F6 F 0.0340(3) 0.1473(3) -0.0409(2) 0.1211(10) Uani 1 1 d . . . . .
F7 F 0.6769(3) 0.5876(3) 0.1363(3) 0.1180(9) Uani 1 1 d . . . . .
F8 F 0.3242(3) 0.8352(3) 0.0383(2) 0.1158(9) Uani 1 1 d . . . . .
F9 F -0.0927(3) 0.3995(3) 0.0222(2) 0.1179(9) Uani 1 1 d . . . . .
F10 F 0.2316(3) 0.1360(2) 0.1362(3) 0.1350(11) Uani 1 1 d . . . . .
C1 C 0.3830(3) 0.7522(3) 0.3226(3) 0.0546(7) Uani 1 1 d . . . . .
C2 C 0.1941(3) 0.6496(3) 0.4487(3) 0.0536(7) Uani 1 1 d . . . . .
C3 C 0.1530(3) 0.5169(3) 0.3175(3) 0.0536(7) Uani 1 1 d . . . . .
C4 C 0.3209(3) 0.7781(3) 0.4509(3) 0.0533(7) Uani 1 1 d . . . . .
C5 C 0.4989(4) 0.7067(4) 0.0828(3) 0.0764(10) Uani 1 1 d . . . . .
C6 C 0.5046(3) 0.6817(4) 0.2851(3) 0.0648(8) Uani 1 1 d . . . . .
C7 C 0.3273(4) 0.8051(4) 0.2347(3) 0.0641(8) Uani 1 1 d . . . . .
C8 C 0.5609(4) 0.6574(4) 0.1669(4) 0.0765(10) Uani 1 1 d . . . . .
C9 C 0.2101(4) 0.3827(3) 0.2821(4) 0.0688(9) Uani 1 1 d . . . . .
C10 C 0.0478(3) 0.5141(3) 0.2249(3) 0.0679(9) Uani 1 1 d . . . . .
C11 C 0.0716(4) 0.2661(4) 0.0732(4) 0.0823(11) Uani 1 1 d . . . . .
C12 C 0.1719(4) 0.2604(4) 0.1624(4) 0.0816(11) Uani 1 1 d . . . . .
C13 C 0.0096(4) 0.3933(4) 0.1056(4) 0.0769(10) Uani 1 1 d . . . . .
C14 C 0.3840(4) 0.7818(4) 0.1174(4) 0.0750(10) Uani 1 1 d . . . . .
B1 B 0.1491(4) 0.8208(4) 0.4687(4) 0.0599(9) Uani 1 1 d . . . . .
B2 B 0.3589(4) 0.6626(4) 0.5222(4) 0.0606(9) Uani 1 1 d . . . . .
B3 B 0.0815(4) 0.7412(4) 0.5645(4) 0.0667(10) Uani 1 1 d . . . . .
H3 H -0.021(4) 0.702(4) 0.536(3) 0.081(10) Uiso 1 1 d . . . . .
B4 B 0.4159(4) 0.8481(4) 0.6019(4) 0.0663(10) Uani 1 1 d . . . . .
H4 H 0.524(3) 0.872(3) 0.604(3) 0.066(8) Uiso 1 1 d . . . . .
B5 B 0.2851(4) 0.9468(4) 0.5689(4) 0.0663(10) Uani 1 1 d . . . . .
B6 B 0.1373(5) 0.9271(4) 0.6432(4) 0.0744(11) Uani 1 1 d . . . . .
B7 B 0.2121(4) 0.6431(5) 0.5983(4) 0.0678(10) Uani 1 1 d . . . . .
H7 H 0.187(3) 0.541(4) 0.596(3) 0.080(10) Uiso 1 1 d . . . . .
B8 B 0.3009(5) 0.9439(5) 0.7259(4) 0.0787(12) Uani 1 1 d . . . . .
H8 H 0.335(4) 1.044(4) 0.818(4) 0.090(11) Uiso 1 1 d . . . . .
B9 B 0.3490(5) 0.7663(5) 0.6963(4) 0.0762(11) Uani 1 1 d . . . . .
H9 H 0.416(3) 0.739(3) 0.766(3) 0.074(9) Uiso 1 1 d . . . . .
B10 B 0.1765(5) 0.8173(5) 0.7236(4) 0.0775(12) Uani 1 1 d . . . . .
H12 H 0.421(3) 0.581(3) 0.476(3) 0.065(9) Uiso 1 1 d . . . . .
H11 H 0.094(3) 0.832(3) 0.390(3) 0.065(9) Uiso 1 1 d . . . . .
H1 H 0.127(3) 0.831(3) 0.819(3) 0.079(10) Uiso 1 1 d . . . . .
H10 H 0.309(3) 1.036(3) 0.548(3) 0.071(9) Uiso 1 1 d . . . . .
H13 H 0.063(3) 1.017(4) 0.680(3) 0.081(10) Uiso 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
F1 C6 1.329(4) . ?
F2 C7 1.325(4) . ?
F3 C9 1.331(4) . ?
F4 C5 1.345(4) . ?
F5 C10 1.331(4) . ?
F6 C11 1.329(4) . ?
F7 C8 1.328(4) . ?
F8 C14 1.338(4) . ?
F9 C13 1.337(4) . ?
F10 C12 1.329(4) . ?
C1 C6 1.388(4) . ?
C1 C7 1.400(4) . ?
C1 C4 1.504(4) . ?
C2 C3 1.505(4) . ?
C2 B7 1.694(5) . ?
C2 B3 1.698(5) . ?
C2 B2 1.729(5) . ?
C2 B1 1.738(4) . ?
C2 C4 1.796(4) . ?
C3 C9 1.389(4) . ?
C3 C10 1.393(4) . ?
C4 B4 1.696(5) . ?
C4 B5 1.696(5) . ?
C4 B2 1.732(4) . ?
C4 B1 1.741(5) . ?
C5 C14 1.347(5) . ?
C5 C8 1.362(5) . ?
C6 C8 1.381(5) . ?
C7 C14 1.375(5) . ?
C9 C12 1.380(5) . ?
C10 C13 1.371(5) . ?
C11 C13 1.353(5) . ?
C11 C12 1.364(6) . ?
B1 B6 1.761(6) . ?
B1 B3 1.769(5) . ?
B1 B5 1.772(6) . ?
B1 H11 1.05(3) . ?
B2 B9 1.752(6) . ?
B2 B4 1.768(6) . ?
B2 B7 1.772(6) . ?
B2 H12 1.00(3) . ?
B3 B7 1.756(6) . ?
B3 B10 1.764(6) . ?
B3 B6 1.768(6) . ?
B3 H3 1.05(4) . ?
B4 B5 1.758(6) . ?
B4 B9 1.769(6) . ?
B4 B8 1.775(6) . ?
B4 H4 1.07(3) . ?
B5 B8 1.758(6) . ?
B5 B6 1.768(6) . ?
B5 H10 1.07(3) . ?
B6 B8 1.753(7) . ?
B6 B10 1.760(7) . ?
B6 H13 1.12(3) . ?
B7 B9 1.761(6) . ?
B7 B10 1.761(6) . ?
B7 H7 1.07(3) . ?
B8 B10 1.765(6) . ?
B8 B9 1.778(6) . ?
B8 H8 1.10(4) . ?
B9 B10 1.775(7) . ?
B9 H9 1.11(3) . ?
B10 H1 1.15(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
C6 C1 C7 114.1(3) . . ?
C6 C1 C4 123.0(3) . . ?
C7 C1 C4 122.8(3) . . ?
C3 C2 B7 122.3(3) . . ?
C3 C2 B3 123.2(3) . . ?
B7 C2 B3 62.4(2) . . ?
C3 C2 B2 118.0(2) . . ?
B7 C2 B2 62.3(2) . . ?
B3 C2 B2 112.3(3) . . ?
C3 C2 B1 119.6(3) . . ?
B7 C2 B1 111.9(2) . . ?
B3 C2 B1 61.9(2) . . ?
B2 C2 B1 109.0(2) . . ?
C3 C2 C4 118.8(2) . . ?
B7 C2 C4 108.7(2) . . ?
B3 C2 C4 108.6(2) . . ?
B2 C2 C4 58.82(18) . . ?
B1 C2 C4 59.00(18) . . ?
C9 C3 C10 113.6(3) . . ?
C9 C3 C2 122.8(3) . . ?
C10 C3 C2 123.4(3) . . ?
C1 C4 B4 121.8(3) . . ?
C1 C4 B5 122.6(2) . . ?
B4 C4 B5 62.4(2) . . ?
C1 C4 B2 118.8(2) . . ?
B4 C4 B2 62.1(2) . . ?
B5 C4 B2 111.9(3) . . ?
C1 C4 B1 119.6(3) . . ?
B4 C4 B1 112.1(2) . . ?
B5 C4 B1 62.1(2) . . ?
B2 C4 B1 108.7(2) . . ?
C1 C4 C2 119.8(2) . . ?
B4 C4 C2 108.4(2) . . ?
B5 C4 C2 108.4(2) . . ?
B2 C4 C2 58.65(18) . . ?
B1 C4 C2 58.85(17) . . ?
F4 C5 C14 121.2(4) . . ?
F4 C5 C8 119.3(4) . . ?
C14 C5 C8 119.4(3) . . ?
F1 C6 C8 115.3(3) . . ?
F1 C6 C1 121.8(3) . . ?
C8 C6 C1 122.8(3) . . ?
F2 C7 C14 115.5(3) . . ?
F2 C7 C1 121.5(3) . . ?
C14 C7 C1 122.9(3) . . ?
F7 C8 C5 120.1(3) . . ?
F7 C8 C6 119.8(4) . . ?
C5 C8 C6 120.2(3) . . ?
F3 C9 C12 115.6(3) . . ?
F3 C9 C3 121.3(3) . . ?
C12 C9 C3 123.0(4) . . ?
F5 C10 C13 114.7(3) . . ?
F5 C10 C3 121.7(3) . . ?
C13 C10 C3 123.6(3) . . ?
F6 C11 C13 121.2(4) . . ?
F6 C11 C12 120.2(4) . . ?
C13 C11 C12 118.6(3) . . ?
F10 C12 C11 120.2(4) . . ?
F10 C12 C9 119.2(4) . . ?
C11 C12 C9 120.5(3) . . ?
F9 C13 C11 119.5(3) . . ?
F9 C13 C10 119.9(3) . . ?
C11 C13 C10 120.5(4) . . ?
F8 C14 C5 120.2(3) . . ?
F8 C14 C7 119.3(3) . . ?
C5 C14 C7 120.4(3) . . ?
C2 B1 C4 62.15(18) . . ?
C2 B1 B6 105.6(3) . . ?
C4 B1 B6 105.6(3) . . ?
C2 B1 B3 57.9(2) . . ?
C4 B1 B3 107.9(3) . . ?
B6 B1 B3 60.1(2) . . ?
C2 B1 B5 107.6(3) . . ?
C4 B1 B5 57.7(2) . . ?
B6 B1 B5 60.1(2) . . ?
B3 B1 B5 108.5(3) . . ?
C2 B1 H11 120.6(16) . . ?
C4 B1 H11 117.7(17) . . ?
B6 B1 H11 127.0(16) . . ?
B3 B1 H11 125.1(17) . . ?
B5 B1 H11 120.8(17) . . ?
C2 B2 C4 62.53(18) . . ?
C2 B2 B9 105.9(3) . . ?
C4 B2 B9 106.1(3) . . ?
C2 B2 B4 108.2(3) . . ?
C4 B2 B4 58.0(2) . . ?
B9 B2 B4 60.4(2) . . ?
C2 B2 B7 57.9(2) . . ?
C4 B2 B7 108.1(3) . . ?
B9 B2 B7 60.0(2) . . ?
B4 B2 B7 108.6(3) . . ?
C2 B2 H12 118.2(17) . . ?
C4 B2 H12 118.7(17) . . ?
B9 B2 H12 127.4(17) . . ?
B4 B2 H12 123.3(17) . . ?
B7 B2 H12 122.7(17) . . ?
C2 B3 B7 58.7(2) . . ?
C2 B3 B10 106.4(3) . . ?
B7 B3 B10 60.0(2) . . ?
C2 B3 B6 107.0(3) . . ?
B7 B3 B6 107.7(3) . . ?
B10 B3 B6 59.8(3) . . ?
C2 B3 B1 60.15(19) . . ?
B7 B3 B1 107.5(3) . . ?
B10 B3 B1 107.5(3) . . ?
B6 B3 B1 59.7(2) . . ?
C2 B3 H3 115.2(18) . . ?
B7 B3 H3 123.3(18) . . ?
B10 B3 H3 130.8(19) . . ?
B6 B3 H3 125.3(18) . . ?
B1 B3 H3 115.2(19) . . ?
C4 B4 B5 58.8(2) . . ?
C4 B4 B2 60.0(2) . . ?
B5 B4 B2 107.3(3) . . ?
C4 B4 B9 106.9(3) . . ?
B5 B4 B9 107.8(3) . . ?
B2 B4 B9 59.4(2) . . ?
C4 B4 B8 106.1(3) . . ?
B5 B4 B8 59.7(2) . . ?
B2 B4 B8 107.2(3) . . ?
B9 B4 B8 60.2(2) . . ?
C4 B4 H4 118.3(16) . . ?
B5 B4 H4 123.8(16) . . ?
B2 B4 H4 117.3(16) . . ?
B9 B4 H4 123.3(16) . . ?
B8 B4 H4 128.1(16) . . ?
C4 B5 B8 106.8(3) . . ?
C4 B5 B4 58.8(2) . . ?
B8 B5 B4 60.6(2) . . ?
C4 B5 B6 107.2(3) . . ?
B8 B5 B6 59.6(2) . . ?
B4 B5 B6 108.1(3) . . ?
C4 B5 B1 60.21(19) . . ?
B8 B5 B1 107.3(3) . . ?
B4 B5 B1 107.7(3) . . ?
B6 B5 B1 59.7(2) . . ?
C4 B5 H10 116.4(16) . . ?
B8 B5 H10 127.9(17) . . ?
B4 B5 H10 120.8(17) . . ?
B6 B5 H10 126.0(16) . . ?
B1 B5 H10 118.5(17) . . ?
B8 B6 B10 60.3(3) . . ?
B8 B6 B1 108.1(3) . . ?
B10 B6 B1 108.0(3) . . ?
B8 B6 B3 108.5(3) . . ?
B10 B6 B3 60.0(2) . . ?
B1 B6 B3 60.2(2) . . ?
B8 B6 B5 59.9(2) . . ?
B10 B6 B5 108.3(3) . . ?
B1 B6 B5 60.3(2) . . ?
B3 B6 B5 108.7(3) . . ?
B8 B6 H13 122.3(18) . . ?
B10 B6 H13 123.8(18) . . ?
B1 B6 H13 119.9(18) . . ?
B3 B6 H13 121.9(18) . . ?
B5 B6 H13 119.7(18) . . ?
C2 B7 B3 58.9(2) . . ?
C2 B7 B9 107.0(3) . . ?
B3 B7 B9 108.5(3) . . ?
C2 B7 B10 106.7(3) . . ?
B3 B7 B10 60.2(2) . . ?
B9 B7 B10 60.5(3) . . ?
C2 B7 B2 59.80(19) . . ?
B3 B7 B2 107.5(3) . . ?
B9 B7 B2 59.5(2) . . ?
B10 B7 B2 107.7(3) . . ?
C2 B7 H7 116.5(18) . . ?
B3 B7 H7 119.4(18) . . ?
B9 B7 H7 126.7(19) . . ?
B10 B7 H7 126.7(18) . . ?
B2 B7 H7 120.1(18) . . ?
B6 B8 B5 60.5(3) . . ?
B6 B8 B10 60.1(3) . . ?
B5 B8 B10 108.6(3) . . ?
B6 B8 B4 108.1(3) . . ?
B5 B8 B4 59.7(2) . . ?
B10 B8 B4 108.3(3) . . ?
B6 B8 B9 107.7(3) . . ?
B5 B8 B9 107.5(3) . . ?
B10 B8 B9 60.1(3) . . ?
B4 B8 B9 59.7(2) . . ?
B6 B8 H8 120.9(18) . . ?
B5 B8 H8 119.4(19) . . ?
B10 B8 H8 123.1(19) . . ?
B4 B8 H8 121.1(19) . . ?
B9 B8 H8 123.9(18) . . ?
B2 B9 B7 60.6(2) . . ?
B2 B9 B4 60.3(2) . . ?
B7 B9 B4 109.0(3) . . ?
B2 B9 B10 107.9(3) . . ?
B7 B9 B10 59.8(2) . . ?
B4 B9 B10 108.1(3) . . ?
B2 B9 B8 107.7(3) . . ?
B7 B9 B8 107.7(3) . . ?
B4 B9 B8 60.0(2) . . ?
B10 B9 B8 59.6(3) . . ?
B2 B9 H9 118.4(16) . . ?
B7 B9 H9 118.5(17) . . ?
B4 B9 H9 122.0(17) . . ?
B10 B9 H9 123.3(17) . . ?
B8 B9 H9 125.9(17) . . ?
B6 B10 B7 107.8(3) . . ?
B6 B10 B3 60.2(2) . . ?
B7 B10 B3 59.8(2) . . ?
B6 B10 B8 59.6(3) . . ?
B7 B10 B8 108.2(3) . . ?
B3 B10 B8 108.1(3) . . ?
B6 B10 B9 107.5(3) . . ?
B7 B10 B9 59.7(2) . . ?
B3 B10 B9 107.5(3) . . ?
B8 B10 B9 60.3(3) . . ?
B6 B10 H1 122.6(16) . . ?
B7 B10 H1 120.8(16) . . ?
B3 B10 H1 121.1(17) . . ?
B8 B10 H1 122.6(17) . . ?
B9 B10 H1 122.0(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B7 C2 C3 C9 -44.9(4) . . . . ?
B3 C2 C3 C9 -120.9(3) . . . . ?
B2 C2 C3 C9 28.5(4) . . . . ?
B1 C2 C3 C9 165.0(3) . . . . ?
C4 C2 C3 C9 96.4(3) . . . . ?
B7 C2 C3 C10 130.2(3) . . . . ?
B3 C2 C3 C10 54.2(4) . . . . ?
B2 C2 C3 C10 -156.4(3) . . . . ?
B1 C2 C3 C10 -19.9(4) . . . . ?
C4 C2 C3 C10 -88.5(3) . . . . ?
C6 C1 C4 B4 48.0(4) . . . . ?
C7 C1 C4 B4 -128.0(3) . . . . ?
C6 C1 C4 B5 123.5(3) . . . . ?
C7 C1 C4 B5 -52.5(4) . . . . ?
C6 C1 C4 B2 -25.3(4) . . . . ?
C7 C1 C4 B2 158.7(3) . . . . ?
C6 C1 C4 B1 -162.5(3) . . . . ?
C7 C1 C4 B1 21.5(4) . . . . ?
C6 C1 C4 C2 -93.6(3) . . . . ?
C7 C1 C4 C2 90.4(3) . . . . ?
C3 C2 C4 C1 0.5(4) . . . . ?
B7 C2 C4 C1 146.5(3) . . . . ?
B3 C2 C4 C1 -147.2(3) . . . . ?
B2 C2 C4 C1 107.5(3) . . . . ?
B1 C2 C4 C1 -108.6(3) . . . . ?
C3 C2 C4 B4 -145.7(3) . . . . ?
B7 C2 C4 B4 0.3(3) . . . . ?
B3 C2 C4 B4 66.6(3) . . . . ?
B2 C2 C4 B4 -38.7(2) . . . . ?
B1 C2 C4 B4 105.2(3) . . . . ?
C3 C2 C4 B5 148.1(3) . . . . ?
B7 C2 C4 B5 -65.9(3) . . . . ?
B3 C2 C4 B5 0.4(3) . . . . ?
B2 C2 C4 B5 -104.9(3) . . . . ?
B1 C2 C4 B5 39.0(3) . . . . ?
C3 C2 C4 B2 -107.0(3) . . . . ?
B7 C2 C4 B2 39.0(2) . . . . ?
B3 C2 C4 B2 105.3(3) . . . . ?
B1 C2 C4 B2 143.9(3) . . . . ?
C3 C2 C4 B1 109.1(3) . . . . ?
B7 C2 C4 B1 -104.8(3) . . . . ?
B3 C2 C4 B1 -38.6(3) . . . . ?
B2 C2 C4 B1 -143.9(3) . . . . ?
C7 C1 C6 F1 174.0(3) . . . . ?
C4 C1 C6 F1 -2.3(5) . . . . ?
C7 C1 C6 C8 -4.1(5) . . . . ?
C4 C1 C6 C8 179.6(3) . . . . ?
C6 C1 C7 F2 -173.5(3) . . . . ?
C4 C1 C7 F2 2.9(5) . . . . ?
C6 C1 C7 C14 3.5(5) . . . . ?
C4 C1 C7 C14 179.9(3) . . . . ?
F4 C5 C8 F7 0.9(5) . . . . ?
C14 C5 C8 F7 -177.6(3) . . . . ?
F4 C5 C8 C6 179.8(3) . . . . ?
C14 C5 C8 C6 1.3(6) . . . . ?
F1 C6 C8 F7 2.6(5) . . . . ?
C1 C6 C8 F7 -179.2(3) . . . . ?
F1 C6 C8 C5 -176.3(3) . . . . ?
C1 C6 C8 C5 1.8(5) . . . . ?
C10 C3 C9 F3 -172.8(3) . . . . ?
C2 C3 C9 F3 2.7(5) . . . . ?
C10 C3 C9 C12 3.8(5) . . . . ?
C2 C3 C9 C12 179.4(3) . . . . ?
C9 C3 C10 F5 174.4(3) . . . . ?
C2 C3 C10 F5 -1.1(5) . . . . ?
C9 C3 C10 C13 -4.1(5) . . . . ?
C2 C3 C10 C13 -179.6(3) . . . . ?
F6 C11 C12 F10 -0.5(6) . . . . ?
C13 C11 C12 F10 177.6(3) . . . . ?
F6 C11 C12 C9 -179.0(3) . . . . ?
C13 C11 C12 C9 -0.9(6) . . . . ?
F3 C9 C12 F10 -3.1(5) . . . . ?
C3 C9 C12 F10 180.0(3) . . . . ?
F3 C9 C12 C11 175.3(3) . . . . ?
C3 C9 C12 C11 -1.5(6) . . . . ?
F6 C11 C13 F9 0.8(6) . . . . ?
C12 C11 C13 F9 -177.3(3) . . . . ?
F6 C11 C13 C10 178.7(3) . . . . ?
C12 C11 C13 C10 0.6(6) . . . . ?
F5 C10 C13 F9 1.3(5) . . . . ?
C3 C10 C13 F9 180.0(3) . . . . ?
F5 C10 C13 C11 -176.6(3) . . . . ?
C3 C10 C13 C11 2.1(6) . . . . ?
F4 C5 C14 F8 -0.7(6) . . . . ?
C8 C5 C14 F8 177.8(3) . . . . ?
F4 C5 C14 C7 179.7(3) . . . . ?
C8 C5 C14 C7 -1.8(6) . . . . ?
F2 C7 C14 F8 -3.2(5) . . . . ?
C1 C7 C14 F8 179.7(3) . . . . ?
F2 C7 C14 C5 176.4(3) . . . . ?
C1 C7 C14 C5 -0.8(6) . . . . ?
C3 C2 B1 C4 -107.7(3) . . . . ?
B7 C2 B1 C4 99.3(3) . . . . ?
B3 C2 B1 C4 137.9(3) . . . . ?
B2 C2 B1 C4 32.3(2) . . . . ?
C3 C2 B1 B6 152.5(3) . . . . ?
B7 C2 B1 B6 -0.5(3) . . . . ?
B3 C2 B1 B6 38.2(3) . . . . ?
B2 C2 B1 B6 -67.5(3) . . . . ?
C4 C2 B1 B6 -99.7(3) . . . . ?
C3 C2 B1 B3 114.3(3) . . . . ?
B7 C2 B1 B3 -38.7(3) . . . . ?
B2 C2 B1 B3 -105.7(3) . . . . ?
C4 C2 B1 B3 -137.9(3) . . . . ?
C3 C2 B1 B5 -144.5(3) . . . . ?
B7 C2 B1 B5 62.5(3) . . . . ?
B3 C2 B1 B5 101.2(3) . . . . ?
B2 C2 B1 B5 -4.5(3) . . . . ?
C4 C2 B1 B5 -36.8(2) . . . . ?
C1 C4 B1 C2 108.9(3) . . . . ?
B4 C4 B1 C2 -98.8(3) . . . . ?
B5 C4 B1 C2 -137.5(3) . . . . ?
B2 C4 B1 C2 -32.1(2) . . . . ?
C1 C4 B1 B6 -151.5(3) . . . . ?
B4 C4 B1 B6 0.8(3) . . . . ?
B5 C4 B1 B6 -37.9(3) . . . . ?
B2 C4 B1 B6 67.5(3) . . . . ?
C2 C4 B1 B6 99.6(3) . . . . ?
C1 C4 B1 B3 145.5(3) . . . . ?
B4 C4 B1 B3 -62.2(3) . . . . ?
B5 C4 B1 B3 -100.9(3) . . . . ?
B2 C4 B1 B3 4.5(3) . . . . ?
C2 C4 B1 B3 36.6(2) . . . . ?
C1 C4 B1 B5 -113.6(3) . . . . ?
B4 C4 B1 B5 38.7(3) . . . . ?
B2 C4 B1 B5 105.4(3) . . . . ?
C2 C4 B1 B5 137.5(3) . . . . ?
C3 C2 B2 C4 108.4(3) . . . . ?
B7 C2 B2 C4 -137.7(3) . . . . ?
B3 C2 B2 C4 -99.0(3) . . . . ?
B1 C2 B2 C4 -32.3(2) . . . . ?
C3 C2 B2 B9 -151.4(3) . . . . ?
B7 C2 B2 B9 -37.5(3) . . . . ?
B3 C2 B2 B9 1.2(3) . . . . ?
B1 C2 B2 B9 67.9(3) . . . . ?
C4 C2 B2 B9 100.2(3) . . . . ?
C3 C2 B2 B4 145.2(3) . . . . ?
B7 C2 B2 B4 -100.9(3) . . . . ?
B3 C2 B2 B4 -62.2(3) . . . . ?
B1 C2 B2 B4 4.5(3) . . . . ?
C4 C2 B2 B4 36.8(2) . . . . ?
C3 C2 B2 B7 -113.9(3) . . . . ?
B3 C2 B2 B7 38.7(3) . . . . ?
B1 C2 B2 B7 105.4(3) . . . . ?
C4 C2 B2 B7 137.7(3) . . . . ?
C1 C4 B2 C2 -109.2(3) . . . . ?
B4 C4 B2 C2 137.9(3) . . . . ?
B5 C4 B2 C2 98.8(3) . . . . ?
B1 C4 B2 C2 32.2(2) . . . . ?
C1 C4 B2 B9 151.0(3) . . . . ?
B4 C4 B2 B9 38.0(3) . . . . ?
B5 C4 B2 B9 -1.0(4) . . . . ?
B1 C4 B2 B9 -67.6(3) . . . . ?
C2 C4 B2 B9 -99.9(3) . . . . ?
C1 C4 B2 B4 112.9(3) . . . . ?
B5 C4 B2 B4 -39.0(3) . . . . ?
B1 C4 B2 B4 -105.7(3) . . . . ?
C2 C4 B2 B4 -137.9(3) . . . . ?
C1 C4 B2 B7 -146.0(3) . . . . ?
B4 C4 B2 B7 101.0(3) . . . . ?
B5 C4 B2 B7 62.0(3) . . . . ?
B1 C4 B2 B7 -4.6(3) . . . . ?
C2 C4 B2 B7 -36.8(2) . . . . ?
C3 C2 B3 B7 112.2(3) . . . . ?
B2 C2 B3 B7 -38.7(3) . . . . ?
B1 C2 B3 B7 -139.1(3) . . . . ?
C4 C2 B3 B7 -101.8(3) . . . . ?
C3 C2 B3 B10 150.2(3) . . . . ?
B7 C2 B3 B10 38.0(3) . . . . ?
B2 C2 B3 B10 -0.7(4) . . . . ?
B1 C2 B3 B10 -101.1(3) . . . . ?
C4 C2 B3 B10 -63.8(3) . . . . ?
C3 C2 B3 B6 -147.1(3) . . . . ?
B7 C2 B3 B6 100.7(3) . . . . ?
B2 C2 B3 B6 62.0(4) . . . . ?
B1 C2 B3 B6 -38.4(3) . . . . ?
C4 C2 B3 B6 -1.1(3) . . . . ?
C3 C2 B3 B1 -108.7(3) . . . . ?
B7 C2 B3 B1 139.1(3) . . . . ?
B2 C2 B3 B1 100.4(3) . . . . ?
C4 C2 B3 B1 37.3(2) . . . . ?
C4 B1 B3 C2 -38.5(2) . . . . ?
B6 B1 B3 C2 -136.6(3) . . . . ?
B5 B1 B3 C2 -99.6(3) . . . . ?
C2 B1 B3 B7 35.9(2) . . . . ?
C4 B1 B3 B7 -2.6(4) . . . . ?
B6 B1 B3 B7 -100.6(3) . . . . ?
B5 B1 B3 B7 -63.6(3) . . . . ?
C2 B1 B3 B10 99.2(3) . . . . ?
C4 B1 B3 B10 60.7(3) . . . . ?
B6 B1 B3 B10 -37.3(3) . . . . ?
B5 B1 B3 B10 -0.4(3) . . . . ?
C2 B1 B3 B6 136.6(3) . . . . ?
C4 B1 B3 B6 98.1(3) . . . . ?
B5 B1 B3 B6 37.0(3) . . . . ?
C1 C4 B4 B5 113.1(3) . . . . ?
B2 C4 B4 B5 -138.7(3) . . . . ?
B1 C4 B4 B5 -38.5(3) . . . . ?
C2 C4 B4 B5 -101.6(2) . . . . ?
C1 C4 B4 B2 -108.2(3) . . . . ?
B5 C4 B4 B2 138.7(3) . . . . ?
B1 C4 B4 B2 100.2(3) . . . . ?
C2 C4 B4 B2 37.1(2) . . . . ?
C1 C4 B4 B9 -146.0(3) . . . . ?
B5 C4 B4 B9 101.0(3) . . . . ?
B2 C4 B4 B9 -37.8(3) . . . . ?
B1 C4 B4 B9 62.4(3) . . . . ?
C2 C4 B4 B9 -0.6(3) . . . . ?
C1 C4 B4 B8 151.0(3) . . . . ?
B5 C4 B4 B8 37.9(3) . . . . ?
B2 C4 B4 B8 -100.9(3) . . . . ?
B1 C4 B4 B8 -0.7(3) . . . . ?
C2 C4 B4 B8 -63.7(3) . . . . ?
C2 B2 B4 C4 -38.8(2) . . . . ?
B9 B2 B4 C4 -137.1(3) . . . . ?
B7 B2 B4 C4 -100.1(3) . . . . ?
C2 B2 B4 B5 -2.6(4) . . . . ?
C4 B2 B4 B5 36.2(2) . . . . ?
B9 B2 B4 B5 -100.9(3) . . . . ?
B7 B2 B4 B5 -63.9(3) . . . . ?
C2 B2 B4 B9 98.3(3) . . . . ?
C4 B2 B4 B9 137.1(3) . . . . ?
B7 B2 B4 B9 37.0(3) . . . . ?
C2 B2 B4 B8 60.2(3) . . . . ?
C4 B2 B4 B8 99.0(3) . . . . ?
B9 B2 B4 B8 -38.1(3) . . . . ?
B7 B2 B4 B8 -1.1(4) . . . . ?
C1 C4 B5 B8 -150.3(3) . . . . ?
B4 C4 B5 B8 -38.5(3) . . . . ?
B2 C4 B5 B8 0.4(4) . . . . ?
B1 C4 B5 B8 100.7(3) . . . . ?
C2 C4 B5 B8 63.2(3) . . . . ?
C1 C4 B5 B4 -111.8(3) . . . . ?
B2 C4 B5 B4 38.9(3) . . . . ?
B1 C4 B5 B4 139.2(3) . . . . ?
C2 C4 B5 B4 101.7(2) . . . . ?
C1 C4 B5 B6 147.0(3) . . . . ?
B4 C4 B5 B6 -101.1(3) . . . . ?
B2 C4 B5 B6 -62.2(4) . . . . ?
B1 C4 B5 B6 38.1(3) . . . . ?
C2 C4 B5 B6 0.5(3) . . . . ?
C1 C4 B5 B1 109.0(3) . . . . ?
B4 C4 B5 B1 -139.2(3) . . . . ?
B2 C4 B5 B1 -100.3(3) . . . . ?
C2 C4 B5 B1 -37.5(2) . . . . ?
B2 B4 B5 C4 -36.7(2) . . . . ?
B9 B4 B5 C4 -99.3(3) . . . . ?
B8 B4 B5 C4 -136.9(3) . . . . ?
C4 B4 B5 B8 136.9(3) . . . . ?
B2 B4 B5 B8 100.2(3) . . . . ?
B9 B4 B5 B8 37.6(3) . . . . ?
C4 B4 B5 B6 99.6(3) . . . . ?
B2 B4 B5 B6 62.9(3) . . . . ?
B9 B4 B5 B6 0.3(4) . . . . ?
B8 B4 B5 B6 -37.3(3) . . . . ?
C4 B4 B5 B1 36.5(2) . . . . ?
B2 B4 B5 B1 -0.2(4) . . . . ?
B9 B4 B5 B1 -62.8(3) . . . . ?
B8 B4 B5 B1 -100.3(3) . . . . ?
C2 B1 B5 C4 38.8(2) . . . . ?
B6 B1 B5 C4 137.0(3) . . . . ?
B3 B1 B5 C4 100.0(3) . . . . ?
C2 B1 B5 B8 -61.0(3) . . . . ?
C4 B1 B5 B8 -99.8(3) . . . . ?
B6 B1 B5 B8 37.1(3) . . . . ?
B3 B1 B5 B8 0.1(3) . . . . ?
C2 B1 B5 B4 2.9(3) . . . . ?
C4 B1 B5 B4 -35.9(2) . . . . ?
B6 B1 B5 B4 101.1(3) . . . . ?
B3 B1 B5 B4 64.1(3) . . . . ?
C2 B1 B5 B6 -98.2(3) . . . . ?
C4 B1 B5 B6 -137.0(3) . . . . ?
B3 B1 B5 B6 -37.0(3) . . . . ?
C2 B1 B6 B8 64.1(3) . . . . ?
C4 B1 B6 B8 -0.7(4) . . . . ?
B3 B1 B6 B8 101.4(3) . . . . ?
B5 B1 B6 B8 -37.5(3) . . . . ?
C2 B1 B6 B10 0.3(4) . . . . ?
C4 B1 B6 B10 -64.5(3) . . . . ?
B3 B1 B6 B10 37.6(3) . . . . ?
B5 B1 B6 B10 -101.3(3) . . . . ?
C2 B1 B6 B3 -37.2(3) . . . . ?
C4 B1 B6 B3 -102.0(3) . . . . ?
B5 B1 B6 B3 -138.8(3) . . . . ?
C2 B1 B6 B5 101.6(3) . . . . ?
C4 B1 B6 B5 36.8(2) . . . . ?
B3 B1 B6 B5 138.8(3) . . . . ?
C2 B3 B6 B8 -62.1(4) . . . . ?
B7 B3 B6 B8 -0.3(4) . . . . ?
B10 B3 B6 B8 37.3(3) . . . . ?
B1 B3 B6 B8 -100.7(3) . . . . ?
C2 B3 B6 B10 -99.4(3) . . . . ?
B7 B3 B6 B10 -37.6(3) . . . . ?
B1 B3 B6 B10 -138.0(3) . . . . ?
C2 B3 B6 B1 38.6(3) . . . . ?
B7 B3 B6 B1 100.4(3) . . . . ?
B10 B3 B6 B1 138.0(3) . . . . ?
C2 B3 B6 B5 1.5(4) . . . . ?
B7 B3 B6 B5 63.2(4) . . . . ?
B10 B3 B6 B5 100.8(3) . . . . ?
B1 B3 B6 B5 -37.1(3) . . . . ?
C4 B5 B6 B8 99.8(3) . . . . ?
B4 B5 B6 B8 37.8(3) . . . . ?
B1 B5 B6 B8 138.1(3) . . . . ?
C4 B5 B6 B10 62.4(4) . . . . ?
B8 B5 B6 B10 -37.3(3) . . . . ?
B4 B5 B6 B10 0.4(4) . . . . ?
B1 B5 B6 B10 100.7(3) . . . . ?
C4 B5 B6 B1 -38.3(3) . . . . ?
B8 B5 B6 B1 -138.1(3) . . . . ?
B4 B5 B6 B1 -100.3(3) . . . . ?
C4 B5 B6 B3 -1.2(4) . . . . ?
B8 B5 B6 B3 -101.0(3) . . . . ?
B4 B5 B6 B3 -63.2(4) . . . . ?
B1 B5 B6 B3 37.1(3) . . . . ?
C3 C2 B7 B3 -113.6(3) . . . . ?
B2 C2 B7 B3 139.2(3) . . . . ?
B1 C2 B7 B3 38.5(3) . . . . ?
C4 C2 B7 B3 101.8(2) . . . . ?
C3 C2 B7 B9 144.7(3) . . . . ?
B3 C2 B7 B9 -101.7(3) . . . . ?
B2 C2 B7 B9 37.5(3) . . . . ?
B1 C2 B7 B9 -63.2(3) . . . . ?
C4 C2 B7 B9 0.1(3) . . . . ?
C3 C2 B7 B10 -151.8(3) . . . . ?
B3 C2 B7 B10 -38.1(3) . . . . ?
B2 C2 B7 B10 101.1(3) . . . . ?
B1 C2 B7 B10 0.4(4) . . . . ?
C4 C2 B7 B10 63.6(3) . . . . ?
C3 C2 B7 B2 107.2(3) . . . . ?
B3 C2 B7 B2 -139.2(3) . . . . ?
B1 C2 B7 B2 -100.7(3) . . . . ?
C4 C2 B7 B2 -37.4(2) . . . . ?
B10 B3 B7 C2 -137.0(3) . . . . ?
B6 B3 B7 C2 -99.6(3) . . . . ?
B1 B3 B7 C2 -36.6(2) . . . . ?
C2 B3 B7 B9 99.2(3) . . . . ?
B10 B3 B7 B9 -37.9(3) . . . . ?
B6 B3 B7 B9 -0.4(4) . . . . ?
B1 B3 B7 B9 62.6(3) . . . . ?
C2 B3 B7 B10 137.0(3) . . . . ?
B6 B3 B7 B10 37.5(3) . . . . ?
B1 B3 B7 B10 100.5(3) . . . . ?
C2 B3 B7 B2 36.3(2) . . . . ?
B10 B3 B7 B2 -100.7(3) . . . . ?
B6 B3 B7 B2 -63.2(3) . . . . ?
B1 B3 B7 B2 -0.2(4) . . . . ?
C4 B2 B7 C2 38.9(2) . . . . ?
B9 B2 B7 C2 137.4(3) . . . . ?
B4 B2 B7 C2 100.3(3) . . . . ?
C2 B2 B7 B3 -35.9(2) . . . . ?
C4 B2 B7 B3 3.0(4) . . . . ?
B9 B2 B7 B3 101.5(3) . . . . ?
B4 B2 B7 B3 64.4(3) . . . . ?
C2 B2 B7 B9 -137.4(3) . . . . ?
C4 B2 B7 B9 -98.5(3) . . . . ?
B4 B2 B7 B9 -37.1(3) . . . . ?
C2 B2 B7 B10 -99.4(3) . . . . ?
C4 B2 B7 B10 -60.5(3) . . . . ?
B9 B2 B7 B10 38.0(3) . . . . ?
B4 B2 B7 B10 0.9(4) . . . . ?
B10 B6 B8 B5 138.5(3) . . . . ?
B1 B6 B8 B5 37.6(3) . . . . ?
B3 B6 B8 B5 101.3(3) . . . . ?
B1 B6 B8 B10 -100.9(3) . . . . ?
B3 B6 B8 B10 -37.1(3) . . . . ?
B5 B6 B8 B10 -138.5(3) . . . . ?
B10 B6 B8 B4 101.2(3) . . . . ?
B1 B6 B8 B4 0.3(4) . . . . ?
B3 B6 B8 B4 64.0(4) . . . . ?
B5 B6 B8 B4 -37.3(3) . . . . ?
B10 B6 B8 B9 38.0(3) . . . . ?
B1 B6 B8 B9 -62.8(4) . . . . ?
B3 B6 B8 B9 0.9(4) . . . . ?
B5 B6 B8 B9 -100.5(3) . . . . ?
C4 B5 B8 B6 -100.5(3) . . . . ?
B4 B5 B8 B6 -138.1(3) . . . . ?
B1 B5 B8 B6 -37.2(3) . . . . ?
C4 B5 B8 B10 -63.2(4) . . . . ?
B4 B5 B8 B10 -100.8(3) . . . . ?
B6 B5 B8 B10 37.3(3) . . . . ?
B1 B5 B8 B10 0.1(4) . . . . ?
C4 B5 B8 B4 37.6(3) . . . . ?
B6 B5 B8 B4 138.1(3) . . . . ?
B1 B5 B8 B4 100.9(3) . . . . ?
C4 B5 B8 B9 0.4(4) . . . . ?
B4 B5 B8 B9 -37.3(3) . . . . ?
B6 B5 B8 B9 100.9(3) . . . . ?
B1 B5 B8 B9 63.7(4) . . . . ?
C4 B4 B8 B6 0.2(4) . . . . ?
B5 B4 B8 B6 37.7(3) . . . . ?
B2 B4 B8 B6 -62.6(4) . . . . ?
B9 B4 B8 B6 -100.4(3) . . . . ?
C4 B4 B8 B5 -37.5(2) . . . . ?
B2 B4 B8 B5 -100.3(3) . . . . ?
B9 B4 B8 B5 -138.0(3) . . . . ?
C4 B4 B8 B10 63.8(4) . . . . ?
B5 B4 B8 B10 101.3(3) . . . . ?
B2 B4 B8 B10 0.9(4) . . . . ?
B9 B4 B8 B10 -36.8(3) . . . . ?
C4 B4 B8 B9 100.6(3) . . . . ?
B5 B4 B8 B9 138.0(3) . . . . ?
B2 B4 B8 B9 37.7(3) . . . . ?
C2 B2 B9 B7 36.5(3) . . . . ?
C4 B2 B9 B7 101.9(3) . . . . ?
B4 B2 B9 B7 138.8(3) . . . . ?
C2 B2 B9 B4 -102.3(3) . . . . ?
C4 B2 B9 B4 -36.9(3) . . . . ?
B7 B2 B9 B4 -138.8(3) . . . . ?
C2 B2 B9 B10 -1.2(4) . . . . ?
C4 B2 B9 B10 64.1(3) . . . . ?
B4 B2 B9 B10 101.0(3) . . . . ?
B7 B2 B9 B10 -37.8(3) . . . . ?
C2 B2 B9 B8 -64.1(3) . . . . ?
C4 B2 B9 B8 1.2(4) . . . . ?
B4 B2 B9 B8 38.1(3) . . . . ?
B7 B2 B9 B8 -100.7(3) . . . . ?
C2 B7 B9 B2 -37.7(3) . . . . ?
B3 B7 B9 B2 -99.9(3) . . . . ?
B10 B7 B9 B2 -137.6(3) . . . . ?
C2 B7 B9 B4 -0.5(4) . . . . ?
B3 B7 B9 B4 -62.6(4) . . . . ?
B10 B7 B9 B4 -100.4(3) . . . . ?
B2 B7 B9 B4 37.2(3) . . . . ?
C2 B7 B9 B10 99.9(3) . . . . ?
B3 B7 B9 B10 37.7(3) . . . . ?
B2 B7 B9 B10 137.6(3) . . . . ?
C2 B7 B9 B8 63.1(3) . . . . ?
B3 B7 B9 B8 0.9(4) . . . . ?
B10 B7 B9 B8 -36.8(3) . . . . ?
B2 B7 B9 B8 100.8(3) . . . . ?
C4 B4 B9 B2 38.0(3) . . . . ?
B5 B4 B9 B2 99.9(3) . . . . ?
B8 B4 B9 B2 137.2(3) . . . . ?
C4 B4 B9 B7 0.7(4) . . . . ?
B5 B4 B9 B7 62.6(4) . . . . ?
B2 B4 B9 B7 -37.3(3) . . . . ?
B8 B4 B9 B7 99.9(3) . . . . ?
C4 B4 B9 B10 -62.7(3) . . . . ?
B5 B4 B9 B10 -0.8(4) . . . . ?
B2 B4 B9 B10 -100.7(3) . . . . ?
B8 B4 B9 B10 36.5(3) . . . . ?
C4 B4 B9 B8 -99.2(3) . . . . ?
B5 B4 B9 B8 -37.3(3) . . . . ?
B2 B4 B9 B8 -137.2(3) . . . . ?
B6 B8 B9 B2 62.8(4) . . . . ?
B5 B8 B9 B2 -1.0(4) . . . . ?
B10 B8 B9 B2 100.8(3) . . . . ?
B4 B8 B9 B2 -38.2(3) . . . . ?
B6 B8 B9 B7 -1.1(4) . . . . ?
B5 B8 B9 B7 -64.9(4) . . . . ?
B10 B8 B9 B7 36.9(3) . . . . ?
B4 B8 B9 B7 -102.2(3) . . . . ?
B6 B8 B9 B4 101.0(3) . . . . ?
B5 B8 B9 B4 37.2(3) . . . . ?
B10 B8 B9 B4 139.0(3) . . . . ?
B6 B8 B9 B10 -38.0(3) . . . . ?
B5 B8 B9 B10 -101.8(3) . . . . ?
B4 B8 B9 B10 -139.0(3) . . . . ?
B8 B6 B10 B7 -101.1(3) . . . . ?
B1 B6 B10 B7 -0.1(4) . . . . ?
B3 B6 B10 B7 37.5(3) . . . . ?
B5 B6 B10 B7 -63.9(4) . . . . ?
B8 B6 B10 B3 -138.6(3) . . . . ?
B1 B6 B10 B3 -37.6(3) . . . . ?
B5 B6 B10 B3 -101.4(3) . . . . ?
B1 B6 B10 B8 101.0(3) . . . . ?
B3 B6 B10 B8 138.6(3) . . . . ?
B5 B6 B10 B8 37.2(3) . . . . ?
B8 B6 B10 B9 -38.1(3) . . . . ?
B1 B6 B10 B9 62.9(4) . . . . ?
B3 B6 B10 B9 100.5(3) . . . . ?
B5 B6 B10 B9 -0.9(4) . . . . ?
C2 B7 B10 B6 -0.2(4) . . . . ?
B3 B7 B10 B6 -37.7(3) . . . . ?
B9 B7 B10 B6 100.3(3) . . . . ?
B2 B7 B10 B6 62.7(4) . . . . ?
C2 B7 B10 B3 37.5(3) . . . . ?
B9 B7 B10 B3 138.0(3) . . . . ?
B2 B7 B10 B3 100.4(3) . . . . ?
C2 B7 B10 B8 -63.2(4) . . . . ?
B3 B7 B10 B8 -100.7(3) . . . . ?
B9 B7 B10 B8 37.3(3) . . . . ?
B2 B7 B10 B8 -0.3(4) . . . . ?
C2 B7 B10 B9 -100.5(3) . . . . ?
B3 B7 B10 B9 -138.0(3) . . . . ?
B2 B7 B10 B9 -37.6(3) . . . . ?
C2 B3 B10 B6 100.5(3) . . . . ?
B7 B3 B10 B6 137.9(3) . . . . ?
B1 B3 B10 B6 37.3(3) . . . . ?
C2 B3 B10 B7 -37.4(3) . . . . ?
B6 B3 B10 B7 -137.9(3) . . . . ?
B1 B3 B10 B7 -100.5(3) . . . . ?
C2 B3 B10 B8 63.6(4) . . . . ?
B7 B3 B10 B8 101.0(3) . . . . ?
B6 B3 B10 B8 -36.9(3) . . . . ?
B1 B3 B10 B8 0.4(4) . . . . ?
C2 B3 B10 B9 -0.1(4) . . . . ?
B7 B3 B10 B9 37.3(3) . . . . ?
B6 B3 B10 B9 -100.6(3) . . . . ?
B1 B3 B10 B9 -63.3(3) . . . . ?
B5 B8 B10 B6 -37.5(3) . . . . ?
B4 B8 B10 B6 -100.8(3) . . . . ?
B9 B8 B10 B6 -137.4(3) . . . . ?
B6 B8 B10 B7 100.4(3) . . . . ?
B5 B8 B10 B7 62.9(4) . . . . ?
B4 B8 B10 B7 -0.4(4) . . . . ?
B9 B8 B10 B7 -37.0(3) . . . . ?
B6 B8 B10 B3 37.1(3) . . . . ?
B5 B8 B10 B3 -0.4(4) . . . . ?
B4 B8 B10 B3 -63.6(4) . . . . ?
B9 B8 B10 B3 -100.3(3) . . . . ?
B6 B8 B10 B9 137.4(3) . . . . ?
B5 B8 B10 B9 99.9(3) . . . . ?
B4 B8 B10 B9 36.6(3) . . . . ?
B2 B9 B10 B6 -62.6(4) . . . . ?
B7 B9 B10 B6 -100.8(3) . . . . ?
B4 B9 B10 B6 1.1(4) . . . . ?
B8 B9 B10 B6 37.8(3) . . . . ?
B2 B9 B10 B7 38.1(3) . . . . ?
B4 B9 B10 B7 101.9(3) . . . . ?
B8 B9 B10 B7 138.6(3) . . . . ?
B2 B9 B10 B3 0.8(4) . . . . ?
B7 B9 B10 B3 -37.3(3) . . . . ?
B4 B9 B10 B3 64.5(4) . . . . ?
B8 B9 B10 B3 101.2(3) . . . . ?
B2 B9 B10 B8 -100.4(3) . . . . ?
B7 B9 B10 B8 -138.6(3) . . . . ?
B4 B9 B10 B8 -36.7(3) . . . . ?

_refine_diff_density_max         0.303
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.061

