# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_Compound
_database_code_depnum_ccdc_archive 'CCDC 2353235'
loop_
_audit_author_name
_audit_author_address
'Tao Ouyang'
;State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matte
China
;
_audit_update_record             
;
2024-05-06 deposited with the CCDC.	2024-08-08 downloaded from the CCDC.
;
_audit_creation_date             2024-01-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B3 F4 H K2 O4'
_chemical_formula_sum            'B3 H F4 K2 O4'
_chemical_formula_weight         251.64
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'K B O F'
_chemical_oxdiff_usercomment     'K B O F'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           40
_space_group_name_H-M_alt        'A m a 2'
_space_group_name_Hall           'A 2 -2a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y, z'
'-x+1/2, y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   25.9308(5)
_cell_length_b                   22.5853(4)
_cell_length_c                   7.46320(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4370.86(13)
_cell_formula_units_Z            24
_cell_measurement_reflns_used    4670
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.3290
_cell_measurement_theta_min      3.9090
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.153
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_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    2.294
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7457
_diffrn_reflns_point_group_measured_fraction_full 0.734
_diffrn_reflns_point_group_measured_fraction_max 0.697
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.598
_diffrn_reflns_theta_min         3.409
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -97.00 -37.00   0.50    2.11    -- -106.00 114.00  -1.00  120
  2  ω    -61.00 -35.00   0.50    0.53    --  -46.49 114.00  -1.00   52
  3  ω   -177.00-140.00   0.50    2.11    -- -106.00 -15.00 -30.00   74
  4  ω   -134.00 -89.00   0.50    2.11    -- -106.00 -15.00 -30.00   90
  5  ω    -70.00 -44.00   0.50    2.11    -- -106.00  61.00-120.00   52
  6  ω    -68.00 -34.00   0.50    2.11    -- -106.00  61.00-150.00   68
  7  ω    -68.00 -34.00   0.50    2.11    -- -106.00  61.00-180.00   68
  8  ω    -27.00  29.00   0.50    0.53    --  -46.49  19.00-180.00  112
  9  ω      5.00  80.00   0.50    0.53    --   46.49-114.00 -91.00  150
 10  ω     39.00  80.00   0.50    2.11    --  107.95-114.00 -91.00   82
 11  ω     35.00  70.00   0.50    2.11    --  107.95 -61.00 -30.00   70
 12  ω     35.00  71.00   0.50    2.11    --  107.95 -61.00 -60.00   72
 13  ω    104.00 130.00   0.50    2.11    --  107.95 114.00  -1.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1310817000
_diffrn_orient_matrix_UB_12      0.0252029000
_diffrn_orient_matrix_UB_13      0.0403013000
_diffrn_orient_matrix_UB_21      0.1421401000
_diffrn_orient_matrix_UB_22      0.0085330000
_diffrn_orient_matrix_UB_23      -0.0424146000
_diffrn_orient_matrix_UB_31      -0.0721043000
_diffrn_orient_matrix_UB_32      0.0628023000
_diffrn_orient_matrix_UB_33      -0.0104383000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.344
_reflns_Friedel_fraction_full    0.432
_reflns_Friedel_fraction_max     0.388
_reflns_number_gt                2987
_reflns_number_total             3271
_reflns_odcompleteness_completeness 98.65
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.697
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.076(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         3271
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      1.123
_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)+(0.0709P)²+2.1329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1097
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.924(19)
 0.076(19)
2. Restrained distances
 O15-H4
 0.85 with sigma of 0.02
 H2-O7
 0.85 with sigma of 0.02
 O11-H3
 0.85 with sigma of 0.02
 H1-O3
 0.85 with sigma of 0.02
 H3_$1-O16_$1
 1.85 with sigma of 0.02
 H1_$2-O6_$2
 1.85 with sigma of 0.02
 F10-B8
 1.6 with sigma of 0.02
3. Rigid bond restraints
 B8, B7, B9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F5, F6, F2, F1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F6) \\sim Ueq, Uanis(F5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Fixed Sof: F10(0.5) B8(0.5)
 Fixed Uiso: H1(0.06)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_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
K1 K 0.500000 0.500000 0.8610(2) 0.0290(4) Uani 1 2 d S T P . .
K4 K 0.750000 0.66894(5) 0.8159(3) 0.0268(3) Uani 1 2 d S T P A .
K6 K 0.66870(4) 0.82750(4) -0.10593(19) 0.0309(3) Uani 1 1 d . . . . .
K7 K 0.83277(4) 0.99737(4) 0.3693(2) 0.0298(3) Uani 1 1 d . . . . .
K2 K 0.49510(4) 0.83326(4) 0.88235(18) 0.0305(3) Uani 1 1 d . . . . .
K5 K 0.66308(4) 0.66686(4) 0.3498(2) 0.0303(3) Uani 1 1 d . . . . .
K3 K 0.57874(6) 0.82864(5) 1.4354(2) 0.0476(4) Uani 1 1 d . . . . .
F13 F 0.70636(10) 1.09401(11) -0.4357(5) 0.0292(6) Uani 1 1 d . . . . .
F11 F 0.750000 0.78088(17) 0.6791(6) 0.0297(9) Uani 1 2 d S T P . .
F8 F 0.58354(10) 0.71666(13) 0.5651(5) 0.0302(6) Uani 1 1 d . . . . .
F4 F 0.62576(11) 0.40038(12) 0.6783(5) 0.0337(7) Uani 1 1 d . . . . .
F3 F 0.53807(11) 0.40166(12) 0.6749(5) 0.0338(7) Uani 1 1 d . . . . .
F2 F 0.53814(12) 0.42314(14) 0.1391(5) 0.0421(8) Uani 1 1 d . . . . .
F1 F 0.62454(13) 0.42276(14) 0.1336(6) 0.0455(8) Uani 1 1 d . . . . .
O2 O 0.58300(11) 0.48771(14) 0.5978(5) 0.0254(7) Uani 1 1 d . . . . .
O8 O 0.58053(12) 0.66381(14) 1.0868(6) 0.0270(8) Uani 1 1 d . . . . .
O1 O 0.58282(12) 0.40224(12) 0.4015(5) 0.0235(7) Uani 1 1 d . . . . .
F12 F 0.79318(13) 1.07186(14) 0.1034(6) 0.0469(9) Uani 1 1 d . . . . .
O13 O 0.750000 1.09326(18) -0.1618(8) 0.0265(10) Uani 1 2 d S T P . .
F7 F 0.65699(11) 0.70702(17) 0.7238(7) 0.0533(10) Uani 1 1 d . . . . .
O15 O 0.750000 0.9116(2) -0.2254(9) 0.0356(12) Uani 1 2 d DS T P . .
O11 O 0.750000 0.9298(2) 0.2509(8) 0.0310(11) Uani 1 2 d DS T P . .
O3 O 0.58390(13) 0.58338(15) 0.4675(6) 0.0315(8) Uani 1 1 d D . . . .
O9 O 0.750000 0.7509(2) 0.3778(8) 0.0309(11) Uani 1 2 d S T P . .
F9 F 0.70723(15) 0.73919(14) 0.1023(6) 0.0530(10) Uani 1 1 d . . . . .
O4 O 0.58257(14) 0.50095(16) 0.2820(6) 0.0358(10) Uani 1 1 d . . . . .
O7 O 0.58358(12) 0.56449(14) 0.9816(6) 0.0284(8) Uani 1 1 d D . . . .
O14 O 0.750000 1.00754(19) -0.3588(7) 0.0275(10) Uani 1 2 d S T P . .
O10 O 0.750000 0.8536(2) 0.4616(8) 0.0333(12) Uani 1 2 d S T P . .
O5 O 0.58361(14) 0.74382(13) 0.8690(6) 0.0286(7) Uani 1 1 d . . . . .
O6 O 0.58961(15) 0.64148(15) 0.7791(6) 0.0349(9) Uani 1 1 d . . . . .
O12 O 0.750000 0.82862(18) 0.1520(8) 0.0269(11) Uani 1 2 d S T P . .
O16 O 0.750000 0.9947(2) -0.0424(8) 0.0375(13) Uani 1 2 d S T P . .
F5 F 0.5963(2) 0.76003(17) 1.1716(6) 0.0877(16) Uani 1 1 d . U . . .
B9 B 0.750000 0.8696(3) 0.2858(11) 0.0206(14) Uani 1 2 d S T P A .
B11 B 0.750000 1.0716(3) -0.3398(11) 0.0202(14) Uani 1 2 d S T P . .
F6 F 0.51705(17) 0.7343(2) 1.0715(9) 0.108(2) Uani 1 1 d . U . . .
B5 B 0.60196(17) 0.7035(2) 0.7406(8) 0.0245(10) Uani 1 1 d . . . . .
B3 B 0.58333(17) 0.5222(2) 0.4518(9) 0.0237(12) Uani 1 1 d . . . . .
B12 B 0.750000 0.9721(3) -0.2095(12) 0.0251(16) Uani 1 2 d S T P . .
B1 B 0.58220(19) 0.4380(3) 0.2478(9) 0.0260(11) Uani 1 1 d . . . . .
B10 B 0.750000 1.0575(3) -0.0057(12) 0.0233(14) Uani 1 2 d S T P . .
B6 B 0.58446(17) 0.6242(2) 0.9524(8) 0.0237(11) Uani 1 1 d . . . . .
B7 B 0.750000 0.7654(3) 0.1929(13) 0.0318(18) Uani 1 2 d S T P A .
B2 B 0.58267(17) 0.4241(2) 0.5789(9) 0.0216(11) Uani 1 1 d . . . . .
F10 F 0.67710(19) 0.7978(3) 0.5151(11) 0.0422(15) Uani 0.5 1 d D . P . .
B4 B 0.5708(2) 0.7252(2) 1.0435(9) 0.0322(12) Uani 1 1 d . . . . .
B8 B 0.7335(3) 0.7944(4) 0.5038(16) 0.024(2) Uani 0.5 1 d D . P A 2
H3 H 0.750000 0.939(2) 0.142(4) 0.013(16) Uiso 1 2 d DS . P . .
H4 H 0.750000 0.900(6) -0.334(7) 0.11(6) Uiso 1 2 d DS . P . .
H2 H 0.576(4) 0.543(5) 1.072(13) 0.17(6) Uiso 1 1 d D . . . .
H1 H 0.585(2) 0.594(3) 0.576(5) 0.060 Uiso 1 1 d D U . . .


_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
K1 K7 4.3373(10) 8_645 ?
K1 K7 4.3373(10) 7_465 ?
K1 F3 2.799(3) . ?
K1 F3 2.799(3) 2_665 ?
K1 F2 2.881(4) 2_666 ?
K1 F2 2.881(4) 1_556 ?
K1 O2 2.927(4) 2_665 ?
K1 O2 2.927(4) . ?
K1 O7 2.762(3) 2_665 ?
K1 O7 2.762(3) . ?
K1 B2 3.459(6) 2_665 ?
K1 B2 3.459(6) . ?
K1 H2 2.71(13) . ?
K4 F13 2.753(3) 8_646 ?
K4 F13 2.753(3) 5_546 ?
K4 F11 2.727(4) . ?
K4 F12 2.928(4) 5_545 ?
K4 F12 2.928(4) 8_645 ?
K4 F7 2.651(3) 4_655 ?
K4 F7 2.651(3) . ?
K4 F9 2.884(4) 4_656 ?
K4 F9 2.884(4) 1_556 ?
K4 B11 3.382(8) 5_546 ?
K4 B10 3.478(8) 5_545 ?
K4 B7 3.558(9) 1_556 ?
K6 F11 2.851(3) 1_554 ?
K6 F4 2.907(4) 5_554 ?
K6 F1 3.117(4) 5_554 ?
K6 O1 2.795(3) 5_554 ?
K6 F7 3.019(4) 1_554 ?
K6 O15 2.974(4) . ?
K6 F9 2.719(4) . ?
K6 O5 2.911(4) 1_554 ?
K6 O12 2.855(5) . ?
K6 F5 3.183(6) 1_554 ?
K6 B7 3.375(7) . ?
K6 F10 2.915(8) 1_554 ?
K7 K7 4.292(2) 4_655 ?
K7 F13 2.812(3) 4_656 ?
K7 F4 2.826(3) 8_654 ?
K7 F1 2.821(4) 8_655 ?
K7 O2 2.987(4) 8_654 ?
K7 F12 2.797(4) . ?
K7 O11 2.777(3) . ?
K7 O7 2.776(4) 8_654 ?
K7 O14 2.962(4) 1_556 ?
K7 B11 3.482(6) 1_556 ?
K7 B2 3.499(6) 8_654 ?
K7 H3 3.04(3) . ?
K2 F8 2.700(3) 6_665 ?
K2 F3 2.897(4) 5 ?
K2 F2 2.943(4) 5 ?
K2 O8 2.952(4) 6_664 ?
K2 O1 2.761(3) 5 ?
K2 O3 2.854(4) 6_665 ?
K2 O5 3.059(3) . ?
K2 F6 2.794(5) 6_664 ?
K2 F6 2.705(4) . ?
K2 B2 3.394(5) 5 ?
K2 B4 3.355(6) . ?
K2 B4 3.326(6) 6_664 ?
K5 F13 2.917(4) 5_545 ?
K5 F8 2.847(3) . ?
K5 O8 2.905(4) 1_554 ?
K5 F12 3.078(4) 8_645 ?
K5 O13 2.802(3) 5_545 ?
K5 F7 2.939(5) . ?
K5 O3 2.923(4) . ?
K5 O9 2.954(3) . ?
K5 F9 2.718(4) . ?
K5 F5 3.032(5) 1_554 ?
K5 B7 3.376(6) . ?
K5 F10 3.224(7) . ?
K3 F8 2.711(3) 1_556 ?
K3 F4 2.792(4) 5 ?
K3 F3 2.759(3) 5 ?
K3 F2 2.824(4) 5_556 ?
K3 F1 2.849(4) 5_556 ?
K3 F5 2.547(4) . ?
K3 F6 3.037(7) 6_665 ?
K3 B1 3.398(6) 5_556 ?
K3 B2 3.426(6) 5 ?
K3 F10 2.710(5) 1_556 ?
F13 B11 1.432(6) . ?
F11 B8 1.409(12) 4_655 ?
F11 B8 1.409(12) . ?
F8 B5 1.425(6) . ?
F4 B2 1.444(6) . ?
F3 B2 1.452(6) . ?
F2 B1 1.441(6) . ?
F1 B1 1.432(7) . ?
O2 B3 1.340(7) . ?
O2 B2 1.444(6) . ?
O8 B6 1.348(7) . ?
O8 B4 1.447(6) . ?
O1 B1 1.404(7) . ?
O1 B2 1.413(7) . ?
F12 B10 1.422(6) . ?
O13 B11 1.416(10) . ?
O13 B10 1.418(10) . ?
F7 B5 1.435(5) . ?
O15 B12 1.371(8) . ?
O15 H4 0.85(3) . ?
O11 B9 1.386(9) . ?
O11 H3 0.84(2) . ?
O3 B3 1.386(6) . ?
O3 H1 0.85(2) . ?
O9 B7 1.418(11) . ?
O9 B8 1.426(12) . ?
O9 B8 1.426(12) 4_655 ?
F9 B7 1.427(7) . ?
O4 B3 1.356(7) . ?
O4 B1 1.444(7) . ?
O7 B6 1.365(7) . ?
O7 H2 0.85(3) . ?
O14 B11 1.454(8) . ?
O14 B12 1.372(10) . ?
O10 B9 1.361(10) . ?
O10 B8 1.438(11) . ?
O10 B8 1.438(11) 4_655 ?
O5 B5 1.405(7) . ?
O5 B4 1.408(8) . ?
O6 B5 1.466(6) . ?
O6 B6 1.358(7) . ?
O12 B9 1.361(9) . ?
O12 B7 1.461(9) . ?
O16 B12 1.348(10) . ?
O16 B10 1.445(8) . ?
F5 B4 1.403(8) . ?
F6 B4 1.425(7) . ?
F10 B8 1.467(10) . ?
B8 B8 0.855(18) 4_655 ?

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
K7 K1 K7 178.36(4) 8_645 7_465 ?
K7 K1 H2 43(3) 8_645 . ?
K7 K1 H2 136(2) 7_465 . ?
F3 K1 K7 69.12(6) 2_665 7_465 ?
F3 K1 K7 69.13(6) . 8_645 ?
F3 K1 K7 111.75(6) 2_665 8_645 ?
F3 K1 K7 111.75(6) . 7_465 ?
F3 K1 F3 120.52(16) . 2_665 ?
F3 K1 F2 163.06(12) . 2_666 ?
F3 K1 F2 163.06(12) 2_665 1_556 ?
F3 K1 F2 76.01(9) . 1_556 ?
F3 K1 F2 76.00(9) 2_665 2_666 ?
F3 K1 O2 90.09(11) . 2_665 ?
F3 K1 O2 48.13(9) . . ?
F3 K1 O2 90.09(11) 2_665 . ?
F3 K1 O2 48.13(9) 2_665 2_665 ?
F3 K1 B2 23.99(10) . . ?
F3 K1 B2 23.99(10) 2_665 2_665 ?
F3 K1 B2 108.05(13) . 2_665 ?
F3 K1 B2 108.05(13) 2_665 . ?
F3 K1 H2 108(3) . . ?
F3 K1 H2 105.2(19) 2_665 . ?
F2 K1 K7 109.95(7) 1_556 7_465 ?
F2 K1 K7 68.78(7) 1_556 8_645 ?
F2 K1 K7 68.78(7) 2_666 7_465 ?
F2 K1 K7 109.95(7) 2_666 8_645 ?
F2 K1 F2 87.83(16) 2_666 1_556 ?
F2 K1 O2 100.01(10) 1_556 . ?
F2 K1 O2 142.47(9) 1_556 2_665 ?
F2 K1 O2 142.47(9) 2_666 . ?
F2 K1 O2 100.01(10) 2_666 2_665 ?
F2 K1 B2 85.81(12) 2_666 2_665 ?
F2 K1 B2 161.77(11) 1_556 2_665 ?
F2 K1 B2 161.77(11) 2_666 . ?
F2 K1 B2 85.81(12) 1_556 . ?
F2 K1 H2 67(3) 2_666 . ?
F2 K1 H2 63.0(14) 1_556 . ?
O2 K1 K7 138.25(8) . 7_465 ?
O2 K1 K7 43.38(7) 2_665 7_465 ?
O2 K1 K7 43.38(7) . 8_645 ?
O2 K1 K7 138.25(8) 2_665 8_645 ?
O2 K1 O2 95.70(15) 2_665 . ?
O2 K1 B2 95.41(12) . 2_665 ?
O2 K1 B2 95.41(12) 2_665 . ?
O2 K1 B2 24.34(10) 2_665 2_665 ?
O2 K1 B2 24.35(10) . . ?
O2 K1 H2 153.3(19) 2_665 . ?
O2 K1 H2 84(2) . . ?
O7 K1 K7 140.59(8) . 7_465 ?
O7 K1 K7 140.59(8) 2_665 8_645 ?
O7 K1 K7 38.56(7) . 8_645 ?
O7 K1 K7 38.56(7) 2_665 7_465 ?
O7 K1 F3 107.66(9) . . ?
O7 K1 F3 107.66(9) 2_665 2_665 ?
O7 K1 F3 91.14(9) . 2_665 ?
O7 K1 F3 91.14(9) 2_665 . ?
O7 K1 F2 79.26(11) . 1_556 ?
O7 K1 F2 79.26(11) 2_665 2_666 ?
O7 K1 F2 73.55(11) 2_665 1_556 ?
O7 K1 F2 73.55(11) . 2_666 ?
O7 K1 O2 138.21(11) . 2_665 ?
O7 K1 O2 72.04(11) 2_665 2_665 ?
O7 K1 O2 138.21(11) 2_665 . ?
O7 K1 O2 72.04(11) . . ?
O7 K1 O7 142.0(2) . 2_665 ?
O7 K1 B2 115.04(11) . 2_665 ?
O7 K1 B2 88.47(11) 2_665 2_665 ?
O7 K1 B2 88.47(11) . . ?
O7 K1 B2 115.04(11) 2_665 . ?
O7 K1 H2 124.9(9) 2_665 . ?
O7 K1 H2 17.9(6) . . ?
B2 K1 K7 51.85(8) 2_665 7_465 ?
B2 K1 K7 51.85(8) . 8_645 ?
B2 K1 K7 129.43(9) 2_665 8_645 ?
B2 K1 K7 129.43(9) . 7_465 ?
B2 K1 B2 105.0(2) 2_665 . ?
B2 K1 H2 95(3) . . ?
B2 K1 H2 129(2) 2_665 . ?
F13 K4 F13 48.54(11) 8_646 5_546 ?
F13 K4 F12 75.35(10) 5_546 8_645 ?
F13 K4 F12 93.52(10) 5_546 5_545 ?
F13 K4 F12 75.35(10) 8_646 5_545 ?
F13 K4 F12 93.52(10) 8_646 8_645 ?
F13 K4 F9 89.84(12) 5_546 4_656 ?
F13 K4 F9 71.40(10) 5_546 1_556 ?
F13 K4 F9 89.84(11) 8_646 1_556 ?
F13 K4 F9 71.40(10) 8_646 4_656 ?
F13 K4 B11 24.34(6) 5_546 5_546 ?
F13 K4 B11 24.34(6) 8_646 5_546 ?
F13 K4 B10 91.12(14) 5_546 5_545 ?
F13 K4 B10 91.12(14) 8_646 5_545 ?
F13 K4 B7 81.02(14) 8_646 1_556 ?
F13 K4 B7 81.02(14) 5_546 1_556 ?
F11 K4 F13 145.30(10) . 5_546 ?
F11 K4 F13 145.30(10) . 8_646 ?
F11 K4 F12 119.43(13) . 8_645 ?
F11 K4 F12 119.43(13) . 5_545 ?
F11 K4 F9 76.56(11) . 1_556 ?
F11 K4 F9 76.56(11) . 4_656 ?
F11 K4 B11 152.55(18) . 5_546 ?
F11 K4 B10 114.37(18) . 5_545 ?
F11 K4 B7 74.26(17) . 1_556 ?
F12 K4 F12 44.96(13) 8_645 5_545 ?
F12 K4 B11 85.68(14) 5_545 5_546 ?
F12 K4 B11 85.68(15) 8_645 5_546 ?
F12 K4 B10 23.71(8) 8_645 5_545 ?
F12 K4 B10 23.71(8) 5_545 5_545 ?
F12 K4 B7 152.44(11) 8_645 1_556 ?
F12 K4 B7 152.44(11) 5_545 1_556 ?
F7 K4 F13 90.00(11) 4_655 8_646 ?
F7 K4 F13 138.41(13) . 8_646 ?
F7 K4 F13 138.41(13) 4_655 5_546 ?
F7 K4 F13 90.00(11) . 5_546 ?
F7 K4 F11 66.55(9) 4_655 . ?
F7 K4 F11 66.55(9) . . ?
F7 K4 F12 116.76(13) . 5_545 ?
F7 K4 F12 116.76(13) 4_655 8_645 ?
F7 K4 F12 75.80(12) 4_655 5_545 ?
F7 K4 F12 75.80(12) . 8_645 ?
F7 K4 F7 130.9(2) 4_655 . ?
F7 K4 F9 111.32(12) . 4_656 ?
F7 K4 F9 111.32(12) 4_655 1_556 ?
F7 K4 F9 70.36(13) . 1_556 ?
F7 K4 F9 70.36(12) 4_655 4_656 ?
F7 K4 B11 114.07(11) 4_655 5_546 ?
F7 K4 B11 114.07(11) . 5_546 ?
F7 K4 B10 93.20(12) . 5_545 ?
F7 K4 B10 93.20(12) 4_655 5_545 ?
F7 K4 B7 90.37(12) . 1_556 ?
F7 K4 B7 90.37(12) 4_655 1_556 ?
F9 K4 F12 163.80(12) 1_556 5_545 ?
F9 K4 F12 131.78(9) 4_656 5_545 ?
F9 K4 F12 131.78(9) 1_556 8_645 ?
F9 K4 F12 163.80(12) 4_656 8_645 ?
F9 K4 F9 45.24(14) 4_656 1_556 ?
F9 K4 B11 78.14(14) 1_556 5_546 ?
F9 K4 B11 78.14(14) 4_656 5_546 ?
F9 K4 B10 155.46(9) 1_556 5_545 ?
F9 K4 B10 155.46(9) 4_656 5_545 ?
F9 K4 B7 22.65(7) 4_656 1_556 ?
F9 K4 B7 22.65(7) 1_556 1_556 ?
B11 K4 B10 93.08(18) 5_546 5_545 ?
B11 K4 B7 78.3(2) 5_546 1_556 ?
B10 K4 B7 171.4(2) 5_545 1_556 ?
F11 K6 F4 154.58(10) 1_554 5_554 ?
F11 K6 F1 100.11(12) 1_554 5_554 ?
F11 K6 F7 60.29(10) 1_554 1_554 ?
F11 K6 O15 62.81(12) 1_554 . ?
F11 K6 O5 106.53(11) 1_554 1_554 ?
F11 K6 O12 80.60(12) 1_554 . ?
F11 K6 F5 128.70(12) 1_554 1_554 ?
F11 K6 B7 75.91(16) 1_554 . ?
F11 K6 F10 46.65(13) 1_554 1_554 ?
F4 K6 F1 85.61(9) 5_554 5_554 ?
F4 K6 F7 141.19(11) 5_554 1_554 ?
F4 K6 O15 97.39(12) 5_554 . ?
F4 K6 O5 97.14(11) 5_554 1_554 ?
F4 K6 F5 64.56(10) 5_554 1_554 ?
F4 K6 B7 89.57(16) 5_554 . ?
F4 K6 F10 150.13(13) 5_554 1_554 ?
F1 K6 F5 121.31(12) 5_554 1_554 ?
F1 K6 B7 158.21(13) 5_554 . ?
O1 K6 F11 145.43(14) 5_554 1_554 ?
O1 K6 F4 48.57(9) 5_554 5_554 ?
O1 K6 F1 45.81(10) 5_554 5_554 ?
O1 K6 F7 118.21(9) 5_554 1_554 ?
O1 K6 O15 100.67(9) 5_554 . ?
O1 K6 O5 77.85(9) 5_554 1_554 ?
O1 K6 O12 124.72(13) 5_554 . ?
O1 K6 F5 78.84(12) 5_554 1_554 ?
O1 K6 B7 137.37(17) 5_554 . ?
O1 K6 F10 102.60(14) 5_554 1_554 ?
F7 K6 F1 108.83(13) 1_554 5_554 ?
F7 K6 F5 77.47(11) 1_554 1_554 ?
F7 K6 B7 88.07(16) 1_554 . ?
O15 K6 F1 68.45(10) . 5_554 ?
O15 K6 F7 121.38(14) . 1_554 ?
O15 K6 F5 156.71(16) . 1_554 ?
O15 K6 B7 91.19(13) . . ?
F9 K6 F11 77.24(13) . 1_554 ?
F9 K6 F4 97.99(13) . 5_554 ?
F9 K6 F1 176.13(13) . 5_554 ?
F9 K6 O1 136.42(14) . 5_554 ?
F9 K6 F7 67.44(11) . 1_554 ?
F9 K6 O15 112.29(11) . . ?
F9 K6 O5 80.74(11) . 1_554 ?
F9 K6 O12 49.44(10) . . ?
F9 K6 F5 59.56(14) . 1_554 ?
F9 K6 B7 24.16(13) . . ?
F9 K6 F10 110.98(15) . 1_554 ?
O5 K6 F1 97.45(11) 1_554 5_554 ?
O5 K6 F7 46.49(9) 1_554 1_554 ?
O5 K6 O15 158.83(16) 1_554 . ?
O5 K6 F5 44.30(12) 1_554 1_554 ?
O5 K6 B7 104.24(13) 1_554 . ?
O5 K6 F10 81.06(15) 1_554 1_554 ?
O12 K6 F4 77.63(12) . 5_554 ?
O12 K6 F1 133.27(11) . 5_554 ?
O12 K6 F7 111.48(11) . 1_554 ?
O12 K6 O15 70.91(13) . . ?
O12 K6 O5 127.50(13) . 1_554 ?
O12 K6 F5 90.05(14) . 1_554 ?
O12 K6 B7 25.41(15) . . ?
O12 K6 F10 126.94(14) . 1_554 ?
F5 K6 B7 74.88(14) 1_554 . ?
F10 K6 F1 65.27(14) 1_554 5_554 ?
F10 K6 F7 52.50(15) 1_554 1_554 ?
F10 K6 O15 78.66(17) 1_554 . ?
F10 K6 F5 124.40(14) 1_554 1_554 ?
F10 K6 B7 119.91(18) 1_554 . ?
K1 K7 H3 134.8(6) 7_564 . ?
K7 K7 K1 178.864(19) 4_655 7_564 ?
K7 K7 H3 45.0(7) 4_655 . ?
F13 K7 K1 110.94(6) 4_656 7_564 ?
F13 K7 K7 68.86(6) 4_656 4_655 ?
F13 K7 F4 178.65(12) 4_656 8_654 ?
F13 K7 F1 104.09(13) 4_656 8_655 ?
F13 K7 O2 132.17(9) 4_656 8_654 ?
F13 K7 O14 47.48(10) 4_656 1_556 ?
F13 K7 B11 23.32(11) 4_656 1_556 ?
F13 K7 B2 155.99(10) 4_656 8_654 ?
F13 K7 H3 111.7(7) 4_656 . ?
F4 K7 K1 67.85(6) 8_654 7_564 ?
F4 K7 K7 112.37(6) 8_654 4_655 ?
F4 K7 O2 47.39(8) 8_654 8_654 ?
F4 K7 O14 132.94(11) 8_654 1_556 ?
F4 K7 B11 157.22(12) 8_654 1_556 ?
F4 K7 B2 23.44(10) 8_654 8_654 ?
F4 K7 H3 69.6(7) 8_654 . ?
F1 K7 K1 68.03(8) 8_655 7_564 ?
F1 K7 K7 113.11(8) 8_655 4_655 ?
F1 K7 F4 74.95(10) 8_655 8_654 ?
F1 K7 O2 98.27(11) 8_655 8_654 ?
F1 K7 O14 81.47(13) 8_655 1_556 ?
F1 K7 B11 95.37(16) 8_655 1_556 ?
F1 K7 B2 84.53(13) 8_655 8_654 ?
F1 K7 H3 114.2(6) 8_655 . ?
O2 K7 K1 42.29(7) 8_654 7_564 ?
O2 K7 K7 136.98(7) 8_654 4_655 ?
O2 K7 B11 155.30(12) 8_654 1_556 ?
O2 K7 B2 24.10(10) 8_654 8_654 ?
O2 K7 H3 96.1(5) 8_654 . ?
F12 K7 K1 110.40(8) . 7_564 ?
F12 K7 K7 68.47(8) . 4_655 ?
F12 K7 F13 76.57(10) . 4_656 ?
F12 K7 F4 104.36(14) . 8_654 ?
F12 K7 F1 178.41(14) . 8_655 ?
F12 K7 O2 80.27(12) . 8_654 ?
F12 K7 O14 99.99(12) . 1_556 ?
F12 K7 B11 85.79(15) . 1_556 ?
F12 K7 B2 94.30(14) . 8_654 ?
F12 K7 H3 66.6(6) . . ?
O11 K7 K1 140.86(9) . 7_564 ?
O11 K7 K7 39.40(8) . 4_655 ?
O11 K7 F13 108.18(10) . 4_656 ?
O11 K7 F4 73.02(11) . 8_654 ?
O11 K7 F1 101.41(13) . 8_655 ?
O11 K7 O2 108.00(14) . 8_654 ?
O11 K7 F12 79.68(14) . . ?
O11 K7 O14 72.59(13) . 1_556 ?
O11 K7 B11 89.23(13) . 1_556 ?
O11 K7 B2 91.57(13) . 8_654 ?
O11 K7 H3 15.9(3) . . ?
O7 K7 K1 38.33(7) 8_654 7_564 ?
O7 K7 K7 141.40(7) 8_654 4_655 ?
O7 K7 F13 72.66(9) 8_654 4_656 ?
O7 K7 F4 106.15(10) 8_654 8_654 ?
O7 K7 F1 78.96(11) 8_654 8_655 ?
O7 K7 O2 70.93(11) 8_654 8_654 ?
O7 K7 F12 99.93(11) 8_654 . ?
O7 K7 O11 178.91(18) 8_654 . ?
O7 K7 O14 108.49(12) 8_654 1_556 ?
O7 K7 B11 91.76(11) 8_654 1_556 ?
O7 K7 B2 87.45(12) 8_654 8_654 ?
O7 K7 H3 163.2(4) 8_654 . ?
O14 K7 K1 137.15(9) 1_556 7_564 ?
O14 K7 K7 43.58(8) 1_556 4_655 ?
O14 K7 O2 179.40(13) 1_556 8_654 ?
O14 K7 B11 24.40(13) 1_556 1_556 ?
O14 K7 B2 156.19(12) 1_556 8_654 ?
O14 K7 H3 84.5(5) 1_556 . ?
B11 K7 K1 128.21(9) 1_556 7_564 ?
B11 K7 K7 51.95(8) 1_556 4_655 ?
B11 K7 B2 179.20(13) 1_556 8_654 ?
B11 K7 H3 97.0(7) 1_556 . ?
B2 K7 K1 51.03(9) 8_654 7_564 ?
B2 K7 K7 128.80(9) 8_654 4_655 ?
B2 K7 H3 83.8(6) 8_654 . ?
F8 K2 F3 97.60(11) 6_665 5 ?
F8 K2 F2 152.39(10) 6_665 5 ?
F8 K2 O8 83.40(11) 6_665 6_664 ?
F8 K2 O1 146.27(14) 6_665 5 ?
F8 K2 O3 67.72(10) 6_665 6_665 ?
F8 K2 O5 107.90(10) 6_665 . ?
F8 K2 F6 96.10(16) 6_665 6_664 ?
F8 K2 F6 63.26(11) 6_665 . ?
F8 K2 B2 122.64(15) 6_665 5 ?
F8 K2 B4 87.55(13) 6_665 . ?
F8 K2 B4 80.22(14) 6_665 6_664 ?
F3 K2 F2 87.21(9) 5 5 ?
F3 K2 O8 143.76(10) 5 6_664 ?
F3 K2 O5 95.05(11) 5 . ?
F3 K2 B2 25.13(12) 5 5 ?
F3 K2 B4 169.23(12) 5 6_664 ?
F3 K2 B4 83.82(13) 5 . ?
F2 K2 O8 77.03(10) 5 6_664 ?
F2 K2 O5 98.67(10) 5 . ?
F2 K2 B2 66.17(12) 5 5 ?
F2 K2 B4 120.05(13) 5 . ?
F2 K2 B4 89.99(14) 5 6_664 ?
O8 K2 O5 119.27(12) 6_664 . ?
O8 K2 B2 138.93(13) 6_664 5 ?
O8 K2 B4 132.30(14) 6_664 . ?
O8 K2 B4 25.77(11) 6_664 6_664 ?
O1 K2 F3 48.94(9) 5 5 ?
O1 K2 F2 47.96(10) 5 5 ?
O1 K2 O8 124.99(12) 5 6_664 ?
O1 K2 O3 101.98(10) 5 6_665 ?
O1 K2 O5 75.89(9) 5 . ?
O1 K2 F6 116.36(16) 5 6_664 ?
O1 K2 B2 23.81(13) 5 5 ?
O1 K2 B4 133.40(16) 5 6_664 ?
O1 K2 B4 84.81(13) 5 . ?
O3 K2 F3 75.90(10) 6_665 5 ?
O3 K2 F2 87.40(10) 6_665 5 ?
O3 K2 O8 71.03(11) 6_665 6_664 ?
O3 K2 O5 168.92(15) 6_665 . ?
O3 K2 B2 89.15(11) 6_665 5 ?
O3 K2 B4 93.59(13) 6_665 6_664 ?
O3 K2 B4 145.08(15) 6_665 . ?
O5 K2 B2 84.91(11) . 5 ?
O5 K2 B4 24.81(14) . . ?
O5 K2 B4 95.66(13) . 6_664 ?
F6 K2 F3 88.07(19) . 5 ?
F6 K2 F3 163.74(12) 6_664 5 ?
F6 K2 F2 84.67(18) 6_664 5 ?
F6 K2 F2 144.32(11) . 5 ?
F6 K2 O8 46.93(10) 6_664 6_664 ?
F6 K2 O8 123.25(18) . 6_664 ?
F6 K2 O1 105.43(15) . 5 ?
F6 K2 O3 117.66(12) 6_664 6_665 ?
F6 K2 O3 125.45(14) . 6_665 ?
F6 K2 O5 72.36(12) 6_664 . ?
F6 K2 O5 46.63(11) . . ?
F6 K2 F6 90.33(6) . 6_664 ?
F6 K2 B2 97.65(19) . 5 ?
F6 K2 B2 139.85(17) 6_664 5 ?
F6 K2 B4 88.09(15) 6_664 . ?
F6 K2 B4 100.2(2) . 6_664 ?
F6 K2 B4 25.04(13) 6_664 6_664 ?
F6 K2 B4 24.30(13) . . ?
B4 K2 B2 155.88(17) 6_664 5 ?
B4 K2 B2 83.85(14) . 5 ?
B4 K2 B4 106.53(12) 6_664 . ?
F13 K5 F12 85.09(9) 5_545 8_645 ?
F13 K5 F7 152.69(10) 5_545 . ?
F13 K5 O3 97.25(10) 5_545 . ?
F13 K5 O9 96.93(11) 5_545 . ?
F13 K5 F5 106.90(13) 5_545 1_554 ?
F13 K5 B7 82.05(16) 5_545 . ?
F13 K5 F10 138.90(14) 5_545 . ?
F8 K5 F13 156.09(9) . 5_545 ?
F8 K5 O8 81.77(10) . 1_554 ?
F8 K5 F12 101.25(11) . 8_645 ?
F8 K5 F7 45.81(9) . . ?
F8 K5 O3 64.91(10) . . ?
F8 K5 O9 105.01(11) . . ?
F8 K5 F5 63.88(12) . 1_554 ?
F8 K5 B7 114.77(14) . . ?
F8 K5 F10 60.21(12) . . ?
O8 K5 F13 77.09(10) 1_554 5_545 ?
O8 K5 F12 132.11(10) 1_554 8_645 ?
O8 K5 F7 127.53(10) 1_554 . ?
O8 K5 O3 70.74(11) 1_554 . ?
O8 K5 O9 128.71(14) 1_554 . ?
O8 K5 F5 45.53(10) 1_554 1_554 ?
O8 K5 B7 105.86(16) 1_554 . ?
O8 K5 F10 111.31(13) 1_554 . ?
F12 K5 B7 115.25(13) 8_645 . ?
F12 K5 F10 111.23(16) 8_645 . ?
O13 K5 F13 48.18(13) 5_545 5_545 ?
O13 K5 F8 146.59(16) 5_545 . ?
O13 K5 O8 123.91(14) 5_545 1_554 ?
O13 K5 F12 46.29(12) 5_545 8_645 ?
O13 K5 F7 104.81(14) 5_545 . ?
O13 K5 O3 101.05(10) 5_545 . ?
O13 K5 O9 76.68(10) 5_545 . ?
O13 K5 F5 149.02(17) 5_545 1_554 ?
O13 K5 B7 80.98(12) 5_545 . ?
O13 K5 F10 117.72(13) 5_545 . ?
F7 K5 F12 69.56(12) . 8_645 ?
F7 K5 O9 77.02(13) . . ?
F7 K5 F5 99.89(11) . 1_554 ?
F7 K5 B7 99.31(18) . . ?
F7 K5 F10 50.17(15) . . ?
O3 K5 F12 67.93(10) . 8_645 ?
O3 K5 F7 82.86(12) . . ?
O3 K5 O9 158.30(16) . . ?
O3 K5 F5 100.29(14) . 1_554 ?
O3 K5 B7 176.60(16) . . ?
O3 K5 F10 123.74(15) . . ?
O9 K5 F12 97.07(12) . 8_645 ?
O9 K5 F5 91.18(13) . 1_554 ?
O9 K5 B7 24.75(19) . . ?
O9 K5 F10 45.39(12) . . ?
F9 K5 F13 71.38(11) . 5_545 ?
F9 K5 F8 116.82(11) . . ?
F9 K5 O8 82.28(12) . 1_554 ?
F9 K5 F12 132.97(11) . 8_645 ?
F9 K5 O13 89.82(13) . 5_545 ?
F9 K5 F7 118.84(11) . . ?
F9 K5 O3 152.60(13) . . ?
F9 K5 O9 48.75(13) . . ?
F9 K5 F5 61.66(14) . 1_554 ?
F9 K5 B7 24.13(17) . . ?
F9 K5 F10 70.22(15) . . ?
F5 K5 F12 164.57(14) 1_554 8_645 ?
F5 K5 B7 76.79(15) 1_554 . ?
F5 K5 F10 66.16(14) 1_554 . ?
F10 K5 B7 56.86(19) . . ?
K2 K3 K6 67.33(4) 1_556 1_557 ?
F8 K3 K6 70.93(7) 1_556 1_557 ?
F8 K3 K2 75.53(8) 1_556 1_556 ?
F8 K3 F4 140.08(10) 1_556 5 ?
F8 K3 F3 145.77(11) 1_556 5 ?
F8 K3 F2 122.01(12) 1_556 5_556 ?
F8 K3 F1 119.44(12) 1_556 5_556 ?
F8 K3 F6 58.77(10) 1_556 6_665 ?
F8 K3 B1 115.61(14) 1_556 5_556 ?
F8 K3 B2 149.66(13) 1_556 5 ?
F4 K3 K6 109.00(8) 5 1_557 ?
F4 K3 K2 143.01(7) 5 1_556 ?
F4 K3 F2 95.39(10) 5 5_556 ?
F4 K3 F1 75.03(10) 5 5_556 ?
F4 K3 F6 149.18(14) 5 6_665 ?
F4 K3 B1 92.17(12) 5 5_556 ?
F4 K3 B2 24.21(9) 5 5 ?
F3 K3 K6 143.25(7) 5 1_557 ?
F3 K3 K2 111.50(8) 5 1_556 ?
F3 K3 F4 48.37(9) 5 5 ?
F3 K3 F2 77.58(10) 5 5_556 ?
F3 K3 F1 94.54(10) 5 5_556 ?
F3 K3 F6 101.70(13) 5 6_665 ?
F3 K3 B1 93.38(12) 5 5_556 ?
F3 K3 B2 24.21(9) 5 5 ?
F2 K3 K6 76.70(7) 5_556 1_557 ?
F2 K3 K2 47.62(8) 5_556 1_556 ?
F2 K3 F1 46.53(10) 5_556 5_556 ?
F2 K3 F6 82.46(11) 5_556 6_665 ?
F2 K3 B1 24.64(11) 5_556 5_556 ?
F2 K3 B2 87.33(12) 5_556 5 ?
F1 K3 K6 48.77(8) 5_556 1_557 ?
F1 K3 K2 76.85(8) 5_556 1_556 ?
F1 K3 F6 121.10(13) 5_556 6_665 ?
F1 K3 B1 24.54(11) 5_556 5_556 ?
F1 K3 B2 85.48(12) 5_556 5 ?
F5 K3 K6 122.29(13) . 1_557 ?
F5 K3 K2 139.60(12) . 1_556 ?
F5 K3 F8 72.56(12) . 1_556 ?
F5 K3 F4 75.14(13) . 5 ?
F5 K3 F3 83.53(13) . 5 ?
F5 K3 F2 160.52(15) . 5_556 ?
F5 K3 F1 141.32(16) . 5_556 ?
F5 K3 F6 96.92(16) . 6_665 ?
F5 K3 B1 165.47(17) . 5_556 ?
F5 K3 B2 77.12(14) . 5 ?
F5 K3 F10 81.1(2) . 1_556 ?
F6 K3 K6 100.45(12) 6_665 1_557 ?
F6 K3 K2 44.45(10) 6_665 1_556 ?
F6 K3 B1 97.61(13) 6_665 5_556 ?
F6 K3 B2 125.35(14) 6_665 5 ?
B1 K3 K6 54.74(10) 5_556 1_557 ?
B1 K3 K2 54.58(10) 5_556 1_556 ?
B1 K3 B2 94.26(14) 5_556 5 ?
B2 K3 K6 128.96(9) 5 1_557 ?
B2 K3 K2 130.58(9) 5 1_556 ?
F10 K3 K6 44.53(17) 1_556 1_557 ?
F10 K3 K2 109.61(17) 1_556 1_556 ?
F10 K3 F8 68.80(14) 1_556 1_556 ?
F10 K3 F4 83.64(16) 1_556 5 ?
F10 K3 F3 131.93(17) 1_556 5 ?
F10 K3 F2 115.29(18) 1_556 5_556 ?
F10 K3 F1 71.68(17) 1_556 5_556 ?
F10 K3 F6 125.16(17) 1_556 6_665 ?
F10 K3 B1 90.67(19) 1_556 5_556 ?
F10 K3 B2 107.72(17) 1_556 5 ?
K4 F13 K7 106.09(13) 5_553 4_654 ?
K4 F13 K5 107.65(9) 5_553 5_554 ?
K7 F13 K5 132.60(11) 4_654 5_554 ?
B11 F13 K4 103.2(3) . 5_553 ?
B11 F13 K7 105.6(3) . 4_654 ?
B11 F13 K5 98.0(4) . 5_554 ?
K4 F11 K6 97.56(12) . 4_656 ?
K4 F11 K6 97.56(12) . 1_556 ?
K6 F11 K6 95.37(15) 4_656 1_556 ?
B8 F11 K4 123.3(4) 4_655 . ?
B8 F11 K4 123.3(4) . . ?
B8 F11 B8 35.3(8) . 4_655 ?
K2 F8 K5 95.56(12) 6_664 . ?
K2 F8 K3 100.05(10) 6_664 1_554 ?
K3 F8 K5 101.55(11) 1_554 . ?
B5 F8 K2 129.1(3) . 6_664 ?
B5 F8 K5 101.2(2) . . ?
B5 F8 K3 122.5(3) . 1_554 ?
K7 F4 K6 131.39(12) 8_645 5_545 ?
K3 F4 K6 109.89(9) 5_544 5_545 ?
K3 F4 K7 105.63(13) 5_544 8_645 ?
B2 F4 K6 97.6(3) . 5_545 ?
B2 F4 K7 105.4(2) . 8_645 ?
B2 F4 K3 103.3(3) . 5_544 ?
K1 F3 K2 131.39(11) . 5_544 ?
K3 F3 K1 105.04(13) 5_544 . ?
K3 F3 K2 111.06(10) 5_544 5_544 ?
B2 F3 K1 104.4(2) . . ?
B2 F3 K2 96.9(3) . 5_544 ?
B2 F3 K3 104.6(3) . 5_544 ?
K1 F2 K2 136.87(11) 1_554 5_544 ?
K3 F2 K1 101.29(13) 5_543 1_554 ?
K3 F2 K2 87.26(9) 5_543 5_544 ?
B1 F2 K1 122.5(3) . 1_554 ?
B1 F2 K2 96.6(3) . 5_544 ?
B1 F2 K3 100.6(3) . 5_543 ?
K7 F1 K6 134.77(12) 8_644 5_545 ?
K7 F1 K3 104.25(14) 8_644 5_543 ?
K3 F1 K6 87.82(10) 5_543 5_545 ?
B1 F1 K6 94.4(3) . 5_545 ?
B1 F1 K7 125.0(3) . 8_644 ?
B1 F1 K3 99.7(3) . 5_543 ?
K1 O2 K7 94.33(12) . 8_645 ?
B3 O2 K1 119.7(3) . . ?
B3 O2 K7 120.3(3) . 8_645 ?
B3 O2 B2 120.0(4) . . ?
B2 O2 K1 99.0(3) . . ?
B2 O2 K7 98.2(3) . 8_645 ?
K5 O8 K2 89.10(14) 1_556 6_665 ?
B6 O8 K2 128.4(3) . 6_665 ?
B6 O8 K5 117.6(3) . 1_556 ?
B6 O8 B4 118.9(5) . . ?
B4 O8 K2 91.7(3) . 6_665 ?
B4 O8 K5 104.9(3) . 1_556 ?
K2 O1 K6 108.34(10) 5_544 5_545 ?
B1 O1 K6 109.9(3) . 5_545 ?
B1 O1 K2 105.8(3) . 5_544 ?
B1 O1 B2 124.4(4) . . ?
B2 O1 K6 103.4(3) . 5_545 ?
B2 O1 K2 104.1(3) . 5_544 ?
K4 F12 K5 87.25(9) 5_554 8_654 ?
K7 F12 K4 101.92(15) . 5_554 ?
K7 F12 K5 136.09(12) . 8_654 ?
B10 F12 K4 100.4(3) . 5_554 ?
B10 F12 K7 123.9(4) . . ?
B10 F12 K5 95.6(4) . 8_654 ?
K5 O13 K5 107.10(14) 8_654 5_554 ?
B11 O13 K5 103.5(2) . 8_654 ?
B11 O13 K5 103.5(2) . 5_554 ?
B11 O13 B10 125.0(5) . . ?
B10 O13 K5 108.2(2) . 8_654 ?
B10 O13 K5 108.2(2) . 5_554 ?
K4 F7 K6 95.26(12) . 1_556 ?
K4 F7 K5 95.58(13) . . ?
K5 F7 K6 132.27(17) . 1_556 ?
B5 F7 K4 149.8(3) . . ?
B5 F7 K6 96.5(3) . 1_556 ?
B5 F7 K5 96.9(3) . . ?
K6 O15 K6 90.28(14) 4_655 . ?
K6 O15 H4 95(7) 4_655 . ?
K6 O15 H4 95(7) . . ?
B12 O15 K6 127.6(2) . 4_655 ?
B12 O15 K6 127.6(2) . . ?
B12 O15 H4 114(10) . . ?
K7 O11 K7 101.21(17) . 4_655 ?
K7 O11 H3 100(2) . . ?
K7 O11 H3 100(2) 4_655 . ?
B9 O11 K7 118.7(2) . . ?
B9 O11 K7 118.7(2) . 4_655 ?
B9 O11 H3 115(4) . . ?
K2 O3 K5 90.67(10) 6_664 . ?
K2 O3 H1 93(4) 6_664 . ?
K5 O3 H1 94(4) . . ?
B3 O3 K2 129.1(3) . 6_664 ?
B3 O3 K5 128.7(3) . . ?
B3 O3 H1 112(5) . . ?
K5 O9 K5 99.45(14) . 4_655 ?
B7 O9 K5 94.5(3) . 4_655 ?
B7 O9 K5 94.5(3) . . ?
B7 O9 B8 118.9(6) . 4_655 ?
B7 O9 B8 118.9(6) . . ?
B8 O9 K5 105.1(4) . . ?
B8 O9 K5 135.9(5) 4_655 . ?
B8 O9 B8 34.9(7) . 4_655 ?
K6 F9 K4 96.95(13) . 1_554 ?
K5 F9 K4 109.57(11) . 1_554 ?
K5 F9 K6 132.42(16) . . ?
B7 F9 K4 106.3(4) . 1_554 ?
B7 F9 K6 104.6(4) . . ?
B7 F9 K5 104.7(4) . . ?
B3 O4 B1 120.9(4) . . ?
K1 O7 K7 103.11(12) . 8_645 ?
K1 O7 H2 78(9) . . ?
K7 O7 H2 96(8) 8_645 . ?
B6 O7 K1 118.8(3) . . ?
B6 O7 K7 118.5(3) . 8_645 ?
B6 O7 H2 134(10) . . ?
K7 O14 K7 92.85(17) 4_654 1_554 ?
B11 O14 K7 98.3(3) . 4_654 ?
B11 O14 K7 98.3(3) . 1_554 ?
B12 O14 K7 120.7(2) . 4_654 ?
B12 O14 K7 120.7(2) . 1_554 ?
B12 O14 B11 120.1(6) . . ?
B9 O10 B8 117.3(7) . 4_655 ?
B9 O10 B8 117.3(7) . . ?
B8 O10 B8 34.6(7) 4_655 . ?
K6 O5 K2 97.93(9) 1_556 . ?
B5 O5 K6 102.0(3) . 1_556 ?
B5 O5 K2 134.8(3) . . ?
B5 O5 B4 121.2(4) . . ?
B4 O5 K6 108.2(3) . 1_556 ?
B4 O5 K2 89.4(3) . . ?
B6 O6 B5 118.9(4) . . ?
K6 O12 K6 95.2(2) 4_655 . ?
B9 O12 K6 120.0(2) . 4_655 ?
B9 O12 K6 120.0(2) . . ?
B9 O12 B7 120.7(7) . . ?
B7 O12 K6 97.6(3) . 4_655 ?
B7 O12 K6 97.6(3) . . ?
B12 O16 B10 123.2(6) . . ?
K5 F5 K6 106.33(19) 1_556 1_556 ?
K3 F5 K6 108.51(14) . 1_556 ?
K3 F5 K5 100.68(16) . 1_556 ?
B4 F5 K6 95.9(3) . 1_556 ?
B4 F5 K5 100.3(3) . 1_556 ?
B4 F5 K3 141.5(5) . . ?
O10 B9 O11 116.2(6) . . ?
O12 B9 O11 122.0(7) . . ?
O12 B9 O10 121.8(6) . . ?
K4 B11 K7 80.76(16) 5_553 4_654 ?
K4 B11 K7 80.76(16) 5_553 1_554 ?
K4 B11 K5 84.57(14) 5_553 8_654 ?
K4 B11 K5 84.57(14) 5_553 5_554 ?
K7 B11 K7 76.09(16) 4_654 1_554 ?
K5 B11 K7 98.88(5) 5_554 4_654 ?
K5 B11 K7 165.1(3) 5_554 1_554 ?
K5 B11 K7 98.88(5) 8_654 1_554 ?
K5 B11 K7 165.1(3) 8_654 4_654 ?
K5 B11 K5 82.39(16) 8_654 5_554 ?
F13 B11 K4 52.4(3) . 5_553 ?
F13 B11 K4 52.4(3) 4_655 5_553 ?
F13 B11 K7 51.1(2) 4_655 1_554 ?
F13 B11 K7 110.2(4) 4_655 4_654 ?
F13 B11 K7 110.2(4) . 1_554 ?
F13 B11 K7 51.1(2) . 4_654 ?
F13 B11 K5 57.6(3) 4_655 8_654 ?
F13 B11 K5 120.3(3) 4_655 5_554 ?
F13 B11 K5 120.3(3) . 8_654 ?
F13 B11 K5 57.6(3) . 5_554 ?
F13 B11 F13 104.5(5) . 4_655 ?
F13 B11 O14 107.7(4) 4_655 . ?
F13 B11 O14 107.7(4) . . ?
O13 B11 K4 119.2(4) . 5_553 ?
O13 B11 K7 138.70(18) . 1_554 ?
O13 B11 K7 138.70(18) . 4_654 ?
O13 B11 K5 52.75(18) . 5_554 ?
O13 B11 K5 52.75(18) . 8_654 ?
O13 B11 F13 110.3(4) . 4_655 ?
O13 B11 F13 110.3(4) . . ?
O13 B11 O14 115.8(6) . . ?
O14 B11 K4 125.0(5) . 5_553 ?
O14 B11 K7 57.3(2) . 1_554 ?
O14 B11 K7 57.3(2) . 4_654 ?
O14 B11 K5 131.8(2) . 8_654 ?
O14 B11 K5 131.8(2) . 5_554 ?
K2 F6 K2 149.4(2) . 6_665 ?
K2 F6 K3 85.99(14) 6_665 6_664 ?
K2 F6 K3 92.30(17) . 6_664 ?
B4 F6 K2 98.9(3) . 6_665 ?
B4 F6 K2 104.3(3) . . ?
B4 F6 K3 133.2(5) . 6_664 ?
K5 B5 K6 104.16(13) . 1_556 ?
F8 B5 K6 107.5(3) . 1_556 ?
F8 B5 K5 54.7(2) . . ?
F8 B5 F7 104.0(4) . . ?
F8 B5 O6 107.8(4) . . ?
F7 B5 K6 59.4(2) . 1_556 ?
F7 B5 K5 58.5(3) . . ?
F7 B5 O6 106.7(4) . . ?
O5 B5 K6 54.8(2) . 1_556 ?
O5 B5 K5 153.5(3) . . ?
O5 B5 F8 112.2(4) . . ?
O5 B5 F7 111.1(4) . . ?
O5 B5 O6 114.3(4) . . ?
O6 B5 K6 144.3(3) . 1_556 ?
O6 B5 K5 92.1(3) . . ?
O2 B3 O3 120.7(5) . . ?
O2 B3 O4 123.6(4) . . ?
O4 B3 O3 115.6(5) . . ?
O15 B12 O14 120.8(7) . . ?
O16 B12 O15 117.2(7) . . ?
O16 B12 O14 122.0(5) . . ?
K2 B1 K6 80.77(13) 5_544 5_545 ?
K3 B1 K6 73.43(12) 5_543 5_545 ?
K3 B1 K2 71.41(12) 5_543 5_544 ?
F2 B1 K6 120.9(3) . 5_545 ?
F2 B1 K2 58.7(2) . 5_544 ?
F2 B1 K3 54.8(2) . 5_543 ?
F2 B1 O4 109.5(4) . . ?
F1 B1 K6 61.7(3) . 5_545 ?
F1 B1 K2 120.9(3) . 5_544 ?
F1 B1 K3 55.7(3) . 5_543 ?
F1 B1 F2 102.5(5) . . ?
F1 B1 O4 109.7(4) . . ?
O1 B1 K6 48.1(2) . 5_545 ?
O1 B1 K2 50.9(2) . 5_544 ?
O1 B1 K3 98.2(3) . 5_543 ?
O1 B1 F2 109.6(4) . . ?
O1 B1 F1 109.8(4) . . ?
O1 B1 O4 115.0(5) . . ?
O4 B1 K6 129.6(3) . 5_545 ?
O4 B1 K2 129.3(3) . 5_544 ?
O4 B1 K3 146.8(4) . 5_543 ?
K4 B10 K5 72.72(13) 5_554 8_654 ?
K4 B10 K5 72.72(13) 5_554 5_554 ?
K5 B10 K5 79.80(16) 8_654 5_554 ?
F12 B10 K4 55.9(3) . 5_554 ?
F12 B10 K4 55.9(3) 4_655 5_554 ?
F12 B10 K5 121.3(4) . 5_554 ?
F12 B10 K5 121.3(4) 4_655 8_654 ?
F12 B10 K5 60.7(3) 4_655 5_554 ?
F12 B10 K5 60.7(3) . 8_654 ?
F12 B10 F12 103.9(7) . 4_655 ?
F12 B10 O16 109.4(4) 4_655 . ?
F12 B10 O16 109.4(4) . . ?
O13 B10 K4 98.9(4) . 5_554 ?
O13 B10 K5 49.24(18) . 5_554 ?
O13 B10 K5 49.24(18) . 8_654 ?
O13 B10 F12 109.9(4) . . ?
O13 B10 F12 109.9(4) . 4_655 ?
O13 B10 O16 113.8(6) . . ?
O16 B10 K4 147.3(5) . 5_554 ?
O16 B10 K5 129.2(3) . 5_554 ?
O16 B10 K5 129.2(3) . 8_654 ?
O8 B6 O7 122.4(5) . . ?
O8 B6 O6 121.7(5) . . ?
O6 B6 O7 116.0(5) . . ?
K6 B7 K4 74.45(18) 4_655 1_554 ?
K6 B7 K4 74.45(18) . 1_554 ?
K6 B7 K6 77.3(2) 4_655 . ?
K6 B7 K5 156.9(3) 4_655 . ?
K6 B7 K5 156.9(3) . 4_655 ?
K6 B7 K5 94.94(7) . . ?
K6 B7 K5 94.94(7) 4_655 4_655 ?
K5 B7 K4 82.58(16) 4_655 1_554 ?
K5 B7 K4 82.58(16) . 1_554 ?
K5 B7 K5 83.75(19) . 4_655 ?
O9 B7 K4 128.9(5) . 1_554 ?
O9 B7 K6 137.6(2) . 4_655 ?
O9 B7 K6 137.6(2) . . ?
O9 B7 K5 60.7(2) . . ?
O9 B7 K5 60.7(2) . 4_655 ?
O9 B7 F9 111.4(4) . . ?
O9 B7 F9 111.4(4) . 4_655 ?
O9 B7 O12 115.4(7) . . ?
F9 B7 K4 51.1(3) . 1_554 ?
F9 B7 K4 51.1(3) 4_655 1_554 ?
F9 B7 K6 51.2(3) 4_655 4_655 ?
F9 B7 K6 51.2(3) . . ?
F9 B7 K6 110.2(5) 4_655 . ?
F9 B7 K6 110.2(5) . 4_655 ?
F9 B7 K5 51.1(3) 4_655 4_655 ?
F9 B7 K5 51.1(3) . . ?
F9 B7 K5 114.2(4) . 4_655 ?
F9 B7 K5 114.2(4) 4_655 . ?
F9 B7 F9 102.0(7) 4_655 . ?
F9 B7 O12 107.8(5) . . ?
F9 B7 O12 107.8(5) 4_655 . ?
O12 B7 K4 115.7(5) . 1_554 ?
O12 B7 K6 57.0(3) . 4_655 ?
O12 B7 K6 57.0(3) . . ?
O12 B7 K5 135.80(19) . . ?
O12 B7 K5 135.80(19) . 4_655 ?
K1 B2 K7 77.12(13) . 8_645 ?
K6 B2 K1 165.5(2) 5_545 . ?
K6 B2 K7 98.23(11) 5_545 8_645 ?
K6 B2 K3 86.05(12) 5_545 5_544 ?
K2 B2 K1 98.51(11) 5_544 . ?
K2 B2 K6 82.88(13) 5_544 5_545 ?
K2 B2 K7 166.6(2) 5_544 8_645 ?
K2 B2 K3 86.30(12) 5_544 5_544 ?
K3 B2 K1 79.68(14) 5_544 . ?
K3 B2 K7 80.52(14) 5_544 8_645 ?
F4 B2 K1 110.5(3) . . ?
F4 B2 K6 57.6(2) . 5_545 ?
F4 B2 K7 51.1(2) . 8_645 ?
F4 B2 K2 121.0(3) . 5_544 ?
F4 B2 K3 52.5(2) . 5_544 ?
F4 B2 F3 103.5(4) . . ?
F3 B2 K1 51.6(2) . . ?
F3 B2 K6 119.8(3) . 5_545 ?
F3 B2 K7 111.0(3) . 8_645 ?
F3 B2 K2 57.9(2) . 5_544 ?
F3 B2 K3 51.2(2) . 5_544 ?
O2 B2 K1 56.7(2) . . ?
O2 B2 K6 132.2(3) . 5_545 ?
O2 B2 K7 57.7(2) . 8_645 ?
O2 B2 K2 130.4(3) . 5_544 ?
O2 B2 K3 123.4(4) . 5_544 ?
O2 B2 F4 108.3(4) . . ?
O2 B2 F3 107.7(4) . . ?
O1 B2 K1 138.2(3) . . ?
O1 B2 K6 52.8(2) . 5_545 ?
O1 B2 K7 138.1(3) . 8_645 ?
O1 B2 K2 52.1(2) . 5_544 ?
O1 B2 K3 120.5(3) . 5_544 ?
O1 B2 F4 110.5(4) . . ?
O1 B2 F3 110.0(4) . . ?
O1 B2 O2 116.0(4) . . ?
K6 F10 K5 125.1(2) 1_556 . ?
K3 F10 K6 94.8(2) 1_554 1_556 ?
K3 F10 K5 92.63(19) 1_554 . ?
B8 F10 K5 92.5(5) . . ?
K2 B4 K2 105.10(16) 6_665 . ?
K2 B4 K5 73.16(13) 6_665 1_556 ?
K2 B4 K5 153.2(2) . 1_556 ?
O8 B4 K2 62.5(3) . 6_665 ?
O8 B4 K2 151.6(4) . . ?
O8 B4 K5 52.0(3) . 1_556 ?
O5 B4 K2 65.8(3) . . ?
O5 B4 K2 160.5(4) . 6_665 ?
O5 B4 K5 123.1(4) . 1_556 ?
O5 B4 O8 116.9(5) . . ?
O5 B4 F6 108.9(5) . . ?
F5 B4 K2 87.0(4) . 6_665 ?
F5 B4 K2 96.5(3) . . ?
F5 B4 K5 56.9(3) . 1_556 ?
F5 B4 O8 107.6(5) . . ?
F5 B4 O5 110.6(5) . . ?
F5 B4 F6 106.3(5) . . ?
F6 B4 K2 51.4(2) . . ?
F6 B4 K2 56.1(3) . 6_665 ?
F6 B4 K5 128.0(4) . 1_556 ?
F6 B4 O8 105.9(5) . . ?
F11 B8 K6 53.9(4) . 1_556 ?
F11 B8 O9 111.8(7) . . ?
F11 B8 O10 108.3(7) . . ?
F11 B8 F10 105.1(7) . . ?
O9 B8 K6 148.6(6) . 1_556 ?
O9 B8 O10 114.0(8) . . ?
O9 B8 F10 111.9(7) . . ?
O10 B8 K6 97.4(5) . 1_556 ?
O10 B8 F10 105.1(6) . . ?
F10 B8 K6 56.9(5) . 1_556 ?
B8 B8 F11 72.3(4) 4_655 . ?
B8 B8 O9 72.6(4) 4_655 . ?
B8 B8 O10 72.7(4) 4_655 . ?
B8 B8 F10 175.6(5) 4_655 . ?

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
K1 F3 B2 K6 165.9(2) . . . 5_545 ?
K1 F3 B2 K7 52.5(2) . . . 8_645 ?
K1 F3 B2 K2 -135.97(19) . . . 5_544 ?
K1 F3 B2 K3 110.1(2) . . . 5_544 ?
K1 F3 B2 F4 105.7(3) . . . . ?
K1 F3 B2 O2 -8.9(4) . . . . ?
K1 F3 B2 O1 -136.3(3) . . . . ?
K1 F2 B1 K6 -144.8(2) 1_554 . . 5_545 ?
K1 F2 B1 K2 160.8(3) 1_554 . . 5_544 ?
K1 F2 B1 K3 -110.8(3) 1_554 . . 5_543 ?
K1 F2 B1 F1 -80.5(4) 1_554 . . . ?
K1 F2 B1 O1 163.0(3) 1_554 . . . ?
K1 F2 B1 O4 36.0(6) 1_554 . . . ?
K1 O2 B3 O3 57.9(5) . . . . ?
K1 O2 B3 O4 -121.3(4) . . . . ?
K1 O2 B2 K6 -165.5(3) . . . 5_545 ?
K1 O2 B2 K7 -95.74(17) . . . 8_645 ?
K1 O2 B2 K2 71.0(4) . . . 5_544 ?
K1 O2 B2 K3 -46.4(3) . . . 5_544 ?
K1 O2 B2 F4 -103.0(4) . . . . ?
K1 O2 B2 F3 8.4(4) . . . . ?
K1 O2 B2 O1 132.1(3) . . . . ?
K1 O7 B6 O8 111.8(4) . . . . ?
K1 O7 B6 O6 -68.2(5) . . . . ?
K4 F13 B11 K7 -60.0(3) 5_553 . . 1_554 ?
K4 F13 B11 K7 -111.2(2) 5_553 . . 4_654 ?
K4 F13 B11 K5 110.33(15) 5_553 . . 5_554 ?
K4 F13 B11 K5 53.9(4) 5_553 . . 8_654 ?
K4 F13 B11 F13 -6.7(5) 5_553 . . 4_655 ?
K4 F13 B11 O13 111.9(4) 5_553 . . . ?
K4 F13 B11 O14 -120.9(4) 5_553 . . . ?
K4 F11 B8 K6 107.9(3) . . . 1_556 ?
K4 F11 B8 O9 -39.8(8) . . . . ?
K4 F11 B8 O10 -166.3(3) . . . . ?
K4 F11 B8 F10 81.7(6) . . . . ?
K4 F11 B8 B8 -102.1(3) . . . 4_655 ?
K4 F12 B10 K5 88.22(14) 5_554 . . 8_654 ?
K4 F12 B10 K5 33.7(4) 5_554 . . 5_554 ?
K4 F12 B10 F12 -30.2(5) 5_554 . . 4_655 ?
K4 F12 B10 O13 87.3(4) 5_554 . . . ?
K4 F12 B10 O16 -147.0(4) 5_554 . . . ?
K4 F7 B5 K6 112.3(7) . . . 1_556 ?
K4 F7 B5 K5 -113.7(6) . . . . ?
K4 F7 B5 F8 -145.4(5) . . . . ?
K4 F7 B5 O5 93.6(6) . . . . ?
K4 F7 B5 O6 -31.6(9) . . . . ?
K4 F9 B7 K6 101.9(3) 1_554 . . . ?
K4 F9 B7 K6 48.4(3) 1_554 . . 4_655 ?
K4 F9 B7 K5 -57.0(4) 1_554 . . 4_655 ?
K4 F9 B7 K5 -116.0(2) 1_554 . . . ?
K4 F9 B7 O9 -123.4(4) 1_554 . . . ?
K4 F9 B7 F9 -4.4(6) 1_554 . . 4_655 ?
K4 F9 B7 O12 109.0(5) 1_554 . . . ?
K6 F11 B8 K6 -109.2(5) 4_656 . . 1_556 ?
K6 F11 B8 O9 103.1(7) 4_656 . . . ?
K6 F11 B8 O9 -147.8(5) 1_556 . . . ?
K6 F11 B8 O10 85.7(6) 1_556 . . . ?
K6 F11 B8 O10 -23.4(9) 4_656 . . . ?
K6 F11 B8 F10 -135.4(4) 4_656 . . . ?
K6 F11 B8 F10 -26.2(6) 1_556 . . . ?
K6 F11 B8 B8 150.0(3) 1_556 . . 4_655 ?
K6 F11 B8 B8 40.9(3) 4_656 . . 4_655 ?
K6 F4 B2 K1 170.65(14) 5_545 . . . ?
K6 F4 B2 K7 -136.8(2) 5_545 . . 8_645 ?
K6 F4 B2 K2 56.5(3) 5_545 . . 5_544 ?
K6 F4 B2 K3 112.59(14) 5_545 . . 5_544 ?
K6 F4 B2 F3 117.0(3) 5_545 . . . ?
K6 F4 B2 O2 -128.9(3) 5_545 . . . ?
K6 F4 B2 O1 -0.8(4) 5_545 . . . ?
K6 F1 B1 K2 -57.7(3) 5_545 . . 5_544 ?
K6 F1 B1 K3 -88.54(13) 5_545 . . 5_543 ?
K6 F1 B1 F2 -118.5(3) 5_545 . . . ?
K6 F1 B1 O1 -2.1(4) 5_545 . . . ?
K6 F1 B1 O4 125.2(4) 5_545 . . . ?
K6 O1 B1 K2 116.8(2) 5_545 . . 5_544 ?
K6 O1 B1 K3 58.9(2) 5_545 . . 5_543 ?
K6 O1 B1 F2 114.4(3) 5_545 . . . ?
K6 O1 B1 F1 2.5(5) 5_545 . . . ?
K6 O1 B1 O4 -121.8(3) 5_545 . . . ?
K6 O1 B2 K1 -167.1(3) 5_545 . . . ?
K6 O1 B2 K7 54.9(4) 5_545 . . 8_645 ?
K6 O1 B2 K2 -113.16(18) 5_545 . . 5_544 ?
K6 O1 B2 K3 -56.8(3) 5_545 . . 5_544 ?
K6 O1 B2 F4 0.8(4) 5_545 . . . ?
K6 O1 B2 F3 -112.8(3) 5_545 . . . ?
K6 O1 B2 O2 124.6(3) 5_545 . . . ?
K6 F7 B5 K5 134.1(2) 1_556 . . . ?
K6 F7 B5 F8 102.3(3) 1_556 . . . ?
K6 F7 B5 O5 -18.6(4) 1_556 . . . ?
K6 F7 B5 O6 -143.9(3) 1_556 . . . ?
K6 O15 B12 O14 116.5(4) 4_655 . . . ?
K6 O15 B12 O14 -116.5(4) . . . . ?
K6 O15 B12 O16 63.5(4) . . . . ?
K6 O15 B12 O16 -63.5(4) 4_655 . . . ?
K6 F9 B7 K4 -101.9(3) . . . 1_554 ?
K6 F9 B7 K6 -53.5(3) . . . 4_655 ?
K6 F9 B7 K5 142.1(3) . . . . ?
K6 F9 B7 K5 -158.9(3) . . . 4_655 ?
K6 F9 B7 O9 134.7(4) . . . . ?
K6 F9 B7 F9 -106.3(4) . . . 4_655 ?
K6 F9 B7 O12 7.1(6) . . . . ?
K6 O5 B5 K5 -41.7(8) 1_556 . . . ?
K6 O5 B5 F8 -96.3(3) 1_556 . . . ?
K6 O5 B5 F7 19.7(5) 1_556 . . . ?
K6 O5 B5 O6 140.5(3) 1_556 . . . ?
K6 O5 B4 K2 163.6(9) 1_556 . . 6_665 ?
K6 O5 B4 K2 98.16(16) 1_556 . . . ?
K6 O5 B4 K5 -52.9(4) 1_556 . . 1_556 ?
K6 O5 B4 O8 -113.3(4) 1_556 . . . ?
K6 O5 B4 F5 10.3(5) 1_556 . . . ?
K6 O5 B4 F6 126.8(4) 1_556 . . . ?
K6 O12 B9 O11 58.5(3) 4_655 . . . ?
K6 O12 B9 O11 -58.5(3) . . . . ?
K6 O12 B9 O10 -121.5(3) 4_655 . . . ?
K6 O12 B9 O10 121.5(3) . . . . ?
K6 O12 B7 K4 48.16(13) . . . 1_554 ?
K6 O12 B7 K4 -48.16(13) 4_655 . . 1_554 ?
K6 O12 B7 K6 96.3(3) . . . 4_655 ?
K6 O12 B7 K6 -96.3(3) 4_655 . . . ?
K6 O12 B7 K5 58.6(8) 4_655 . . 4_655 ?
K6 O12 B7 K5 -154.9(6) 4_655 . . . ?
K6 O12 B7 K5 154.9(6) . . . 4_655 ?
K6 O12 B7 K5 -58.6(8) . . . . ?
K6 O12 B7 O9 131.84(13) 4_655 . . . ?
K6 O12 B7 O9 -131.84(13) . . . . ?
K6 O12 B7 F9 -102.9(4) 4_655 . . . ?
K6 O12 B7 F9 -6.6(6) . . . . ?
K6 O12 B7 F9 102.9(4) . . . 4_655 ?
K6 O12 B7 F9 6.6(6) 4_655 . . 4_655 ?
K6 F5 B4 K2 179.66(14) 1_556 . . 6_665 ?
K6 F5 B4 K2 -75.5(2) 1_556 . . . ?
K6 F5 B4 K5 107.8(3) 1_556 . . 1_556 ?
K6 F5 B4 O8 119.8(4) 1_556 . . . ?
K6 F5 B4 O5 -9.0(4) 1_556 . . . ?
K6 F5 B4 F6 -127.0(4) 1_556 . . . ?
K6 F10 B8 F11 25.2(6) 1_556 . . . ?
K6 F10 B8 O9 146.8(7) 1_556 . . . ?
K6 F10 B8 O10 -89.0(7) 1_556 . . . ?
K7 F13 B11 K4 111.2(2) 4_654 . . 5_553 ?
K7 F13 B11 K7 51.2(3) 4_654 . . 1_554 ?
K7 F13 B11 K5 -138.5(2) 4_654 . . 5_554 ?
K7 F13 B11 K5 165.1(2) 4_654 . . 8_654 ?
K7 F13 B11 F13 104.5(4) 4_654 . . 4_655 ?
K7 F13 B11 O13 -137.0(3) 4_654 . . . ?
K7 F13 B11 O14 -9.7(5) 4_654 . . . ?
K7 F4 B2 K1 -52.6(2) 8_645 . . . ?
K7 F4 B2 K6 136.8(2) 8_645 . . 5_545 ?
K7 F4 B2 K2 -166.8(2) 8_645 . . 5_544 ?
K7 F4 B2 K3 -110.6(2) 8_645 . . 5_544 ?
K7 F4 B2 F3 -106.3(3) 8_645 . . . ?
K7 F4 B2 O2 7.8(5) 8_645 . . . ?
K7 F4 B2 O1 136.0(3) 8_645 . . . ?
K7 F1 B1 K6 -156.3(3) 8_644 . . 5_545 ?
K7 F1 B1 K2 146.0(2) 8_644 . . 5_544 ?
K7 F1 B1 K3 115.1(3) 8_644 . . 5_543 ?
K7 F1 B1 F2 85.2(4) 8_644 . . . ?
K7 F1 B1 O1 -158.4(3) 8_644 . . . ?
K7 F1 B1 O4 -31.2(6) 8_644 . . . ?
K7 O2 B3 O3 -57.8(5) 8_645 . . . ?
K7 O2 B3 O4 123.0(4) 8_645 . . . ?
K7 O2 B2 K1 95.74(17) 8_645 . . . ?
K7 O2 B2 K6 -69.8(4) 8_645 . . 5_545 ?
K7 O2 B2 K2 166.7(3) 8_645 . . 5_544 ?
K7 O2 B2 K3 49.4(3) 8_645 . . 5_544 ?
K7 O2 B2 F4 -7.2(4) 8_645 . . . ?
K7 O2 B2 F3 104.1(3) 8_645 . . . ?
K7 O2 B2 O1 -132.1(3) 8_645 . . . ?
K7 F12 B10 K4 112.1(4) . . . 5_554 ?
K7 F12 B10 K5 -159.7(4) . . . 8_654 ?
K7 F12 B10 K5 145.8(2) . . . 5_554 ?
K7 F12 B10 F12 81.9(5) . . . 4_655 ?
K7 F12 B10 O13 -160.6(3) . . . . ?
K7 F12 B10 O16 -34.9(7) . . . . ?
K7 O11 B9 O10 61.7(3) . . . . ?
K7 O11 B9 O10 -61.7(3) 4_655 . . . ?
K7 O11 B9 O12 -118.3(3) . . . . ?
K7 O11 B9 O12 118.3(3) 4_655 . . . ?
K7 O7 B6 O8 -121.7(4) 8_645 . . . ?
K7 O7 B6 O6 58.2(5) 8_645 . . . ?
K7 O14 B11 K4 47.06(11) 1_554 . . 5_553 ?
K7 O14 B11 K4 -47.06(11) 4_654 . . 5_553 ?
K7 O14 B11 K7 94.1(2) 1_554 . . 4_654 ?
K7 O14 B11 K7 -94.1(2) 4_654 . . 1_554 ?
K7 O14 B11 K5 -165.1(4) 4_654 . . 8_654 ?
K7 O14 B11 K5 70.9(5) 4_654 . . 5_554 ?
K7 O14 B11 K5 165.1(4) 1_554 . . 5_554 ?
K7 O14 B11 K5 -70.9(5) 1_554 . . 8_654 ?
K7 O14 B11 F13 -103.1(4) 4_654 . . 4_655 ?
K7 O14 B11 F13 9.0(5) 4_654 . . . ?
K7 O14 B11 F13 103.1(4) 1_554 . . . ?
K7 O14 B11 F13 -9.0(5) 1_554 . . 4_655 ?
K7 O14 B11 O13 132.94(11) 4_654 . . . ?
K7 O14 B11 O13 -132.94(11) 1_554 . . . ?
K7 O14 B12 O15 57.4(3) 4_654 . . . ?
K7 O14 B12 O15 -57.4(3) 1_554 . . . ?
K7 O14 B12 O16 -122.6(2) 4_654 . . . ?
K7 O14 B12 O16 122.6(2) 1_554 . . . ?
K2 F8 B5 K6 -158.08(16) 6_664 . . 1_556 ?
K2 F8 B5 K5 106.7(3) 6_664 . . . ?
K2 F8 B5 F7 140.1(3) 6_664 . . . ?
K2 F8 B5 O5 -99.7(4) 6_664 . . . ?
K2 F8 B5 O6 27.1(5) 6_664 . . . ?
K2 F3 B2 K1 135.97(19) 5_544 . . . ?
K2 F3 B2 K6 -58.2(3) 5_544 . . 5_545 ?
K2 F3 B2 K7 -171.56(14) 5_544 . . 8_645 ?
K2 F3 B2 K3 -113.94(15) 5_544 . . 5_544 ?
K2 F3 B2 F4 -118.4(3) 5_544 . . . ?
K2 F3 B2 O2 127.0(3) 5_544 . . . ?
K2 F3 B2 O1 -0.3(4) 5_544 . . . ?
K2 F2 B1 K6 54.4(3) 5_544 . . 5_545 ?
K2 F2 B1 K3 88.42(13) 5_544 . . 5_543 ?
K2 F2 B1 F1 118.8(3) 5_544 . . . ?
K2 F2 B1 O1 2.2(4) 5_544 . . . ?
K2 F2 B1 O4 -124.8(4) 5_544 . . . ?
K2 O8 B6 O7 -48.3(6) 6_665 . . . ?
K2 O8 B6 O6 131.8(4) 6_665 . . . ?
K2 O8 B4 K2 -69.9(8) 6_665 . . . ?
K2 O8 B4 K5 89.53(19) 6_665 . . 1_556 ?
K2 O8 B4 O5 -158.1(5) 6_665 . . . ?
K2 O8 B4 F5 76.8(4) 6_665 . . . ?
K2 O8 B4 F6 -36.6(5) 6_665 . . . ?
K2 O1 B1 K6 -116.8(2) 5_544 . . 5_545 ?
K2 O1 B1 K3 -57.9(2) 5_544 . . 5_543 ?
K2 O1 B1 F2 -2.4(5) 5_544 . . . ?
K2 O1 B1 F1 -114.3(3) 5_544 . . . ?
K2 O1 B1 O4 121.4(3) 5_544 . . . ?
K2 O1 B2 K1 -53.9(4) 5_544 . . . ?
K2 O1 B2 K6 113.16(18) 5_544 . . 5_545 ?
K2 O1 B2 K7 168.1(3) 5_544 . . 8_645 ?
K2 O1 B2 K3 56.3(3) 5_544 . . 5_544 ?
K2 O1 B2 F4 114.0(3) 5_544 . . . ?
K2 O1 B2 F3 0.3(4) 5_544 . . . ?
K2 O1 B2 O2 -122.2(3) 5_544 . . . ?
K2 O3 B3 O2 -110.9(4) 6_664 . . . ?
K2 O3 B3 O4 68.4(5) 6_664 . . . ?
K2 O5 B5 K6 114.2(4) . . . 1_556 ?
K2 O5 B5 K5 72.5(8) . . . . ?
K2 O5 B5 F8 17.9(6) . . . . ?
K2 O5 B5 F7 133.8(4) . . . . ?
K2 O5 B5 O6 -105.3(5) . . . . ?
K2 O5 B4 K2 65.4(10) . . . 6_665 ?
K2 O5 B4 K5 -151.0(3) . . . 1_556 ?
K2 O5 B4 O8 148.5(5) . . . . ?
K2 O5 B4 F5 -87.9(4) . . . . ?
K2 O5 B4 F6 28.6(5) . . . . ?
K2 F6 B4 K2 -159.9(5) 6_665 . . . ?
K2 F6 B4 K2 159.9(5) . . . 6_665 ?
K2 F6 B4 K5 145.6(3) . . . 1_556 ?
K2 F6 B4 K5 -14.3(5) 6_665 . . 1_556 ?
K2 F6 B4 O8 39.6(5) 6_665 . . . ?
K2 F6 B4 O8 -160.5(4) . . . . ?
K2 F6 B4 O5 -34.0(5) . . . . ?
K2 F6 B4 O5 166.1(3) 6_665 . . . ?
K2 F6 B4 F5 85.2(5) . . . . ?
K2 F6 B4 F5 -74.7(4) 6_665 . . . ?
K5 F13 B11 K4 -110.33(15) 5_554 . . 5_553 ?
K5 F13 B11 K7 138.5(2) 5_554 . . 4_654 ?
K5 F13 B11 K7 -170.36(16) 5_554 . . 1_554 ?
K5 F13 B11 K5 -56.4(3) 5_554 . . 8_654 ?
K5 F13 B11 F13 -117.0(4) 5_554 . . 4_655 ?
K5 F13 B11 O13 1.5(4) 5_554 . . . ?
K5 F13 B11 O14 128.7(4) 5_554 . . . ?
K5 F8 B5 K6 95.21(18) . . . 1_556 ?
K5 F8 B5 F7 33.4(3) . . . . ?
K5 F8 B5 O5 153.6(3) . . . . ?
K5 F8 B5 O6 -79.6(3) . . . . ?
K5 O8 B6 O7 64.7(5) 1_556 . . . ?
K5 O8 B6 O6 -115.2(4) 1_556 . . . ?
K5 O8 B4 K2 -159.4(7) 1_556 . . . ?
K5 O8 B4 K2 -89.53(19) 1_556 . . 6_665 ?
K5 O8 B4 O5 112.4(5) 1_556 . . . ?
K5 O8 B4 F5 -12.7(5) 1_556 . . . ?
K5 O8 B4 F6 -126.2(5) 1_556 . . . ?
K5 F12 B10 K4 -88.22(14) 8_654 . . 5_554 ?
K5 F12 B10 K5 -54.5(4) 8_654 . . 5_554 ?
K5 F12 B10 F12 -118.4(4) 8_654 . . 4_655 ?
K5 F12 B10 O13 -0.9(5) 8_654 . . . ?
K5 F12 B10 O16 124.8(5) 8_654 . . . ?
K5 O13 B11 K4 -55.83(12) 8_654 . . 5_553 ?
K5 O13 B11 K4 55.83(12) 5_554 . . 5_553 ?
K5 O13 B11 K7 -166.8(4) 8_654 . . 4_654 ?
K5 O13 B11 K7 55.1(6) 8_654 . . 1_554 ?
K5 O13 B11 K7 166.8(4) 5_554 . . 1_554 ?
K5 O13 B11 K7 -55.1(6) 5_554 . . 4_654 ?
K5 O13 B11 K5 -111.7(2) 8_654 . . 5_554 ?
K5 O13 B11 K5 111.7(2) 5_554 . . 8_654 ?
K5 O13 B11 F13 -1.6(4) 5_554 . . . ?
K5 O13 B11 F13 113.3(3) 5_554 . . 4_655 ?
K5 O13 B11 F13 -113.3(3) 8_654 . . . ?
K5 O13 B11 F13 1.6(4) 8_654 . . 4_655 ?
K5 O13 B11 O14 124.17(12) 8_654 . . . ?
K5 O13 B11 O14 -124.17(12) 5_554 . . . ?
K5 O13 B10 K4 -57.87(17) 5_554 . . 5_554 ?
K5 O13 B10 K4 57.87(16) 8_654 . . 5_554 ?
K5 O13 B10 K5 115.7(3) 8_654 . . 5_554 ?
K5 O13 B10 K5 -115.7(3) 5_554 . . 8_654 ?
K5 O13 B10 F12 -1.0(5) 5_554 . . 4_655 ?
K5 O13 B10 F12 1.0(5) 8_654 . . . ?
K5 O13 B10 F12 -114.7(3) 5_554 . . . ?
K5 O13 B10 F12 114.7(3) 8_654 . . 4_655 ?
K5 O13 B10 O16 122.13(17) 5_554 . . . ?
K5 O13 B10 O16 -122.13(16) 8_654 . . . ?
K5 F7 B5 K6 -134.1(2) . . . 1_556 ?
K5 F7 B5 F8 -31.8(3) . . . . ?
K5 F7 B5 O5 -152.7(4) . . . . ?
K5 F7 B5 O6 82.1(4) . . . . ?
K5 O3 B3 O2 117.0(4) . . . . ?
K5 O3 B3 O4 -63.7(5) . . . . ?
K5 O9 B7 K4 -49.94(8) . . . 1_554 ?
K5 O9 B7 K4 49.94(8) 4_655 . . 1_554 ?
K5 O9 B7 K6 62.1(6) . . . . ?
K5 O9 B7 K6 -62.1(6) 4_655 . . 4_655 ?
K5 O9 B7 K6 161.9(5) 4_655 . . . ?
K5 O9 B7 K6 -161.9(5) . . . 4_655 ?
K5 O9 B7 K5 99.88(17) 4_655 . . . ?
K5 O9 B7 K5 -99.88(17) . . . 4_655 ?
K5 O9 B7 F9 -6.7(5) 4_655 . . 4_655 ?
K5 O9 B7 F9 -106.5(4) . . . 4_655 ?
K5 O9 B7 F9 106.5(4) 4_655 . . . ?
K5 O9 B7 F9 6.7(5) . . . . ?
K5 O9 B7 O12 -130.06(8) 4_655 . . . ?
K5 O9 B7 O12 130.06(8) . . . . ?
K5 O9 B8 K6 -83.4(11) 4_655 . . 1_556 ?
K5 O9 B8 K6 38.1(11) . . . 1_556 ?
K5 O9 B8 F11 -27.7(10) 4_655 . . . ?
K5 O9 B8 F11 93.9(6) . . . . ?
K5 O9 B8 O10 95.6(9) 4_655 . . . ?
K5 O9 B8 O10 -142.8(6) . . . . ?
K5 O9 B8 F10 -145.2(5) 4_655 . . . ?
K5 O9 B8 F10 -23.7(8) . . . . ?
K5 O9 B8 B8 34.4(4) 4_655 . . 4_655 ?
K5 O9 B8 B8 156.0(3) . . . 4_655 ?
K5 F9 B7 K4 116.0(2) . . . 1_554 ?
K5 F9 B7 K6 164.37(17) . . . 4_655 ?
K5 F9 B7 K6 -142.1(3) . . . . ?
K5 F9 B7 K5 59.0(4) . . . 4_655 ?
K5 F9 B7 O9 -7.5(5) . . . . ?
K5 F9 B7 F9 111.5(5) . . . 4_655 ?
K5 F9 B7 O12 -135.1(5) . . . . ?
K5 F5 B4 K2 176.70(16) 1_556 . . . ?
K5 F5 B4 K2 71.83(19) 1_556 . . 6_665 ?
K5 F5 B4 O8 12.0(5) 1_556 . . . ?
K5 F5 B4 O5 -116.8(4) 1_556 . . . ?
K5 F5 B4 F6 125.1(4) 1_556 . . . ?
K5 F10 B8 K6 -125.9(3) . . . 1_556 ?
K5 F10 B8 F11 -100.7(6) . . . . ?
K5 F10 B8 O9 20.8(7) . . . . ?
K5 F10 B8 O10 145.1(7) . . . . ?
K3 F8 B5 K6 -16.4(3) 1_554 . . 1_556 ?
K3 F8 B5 K5 -111.6(2) 1_554 . . . ?
K3 F8 B5 F7 -78.2(4) 1_554 . . . ?
K3 F8 B5 O5 42.0(4) 1_554 . . . ?
K3 F8 B5 O6 168.8(2) 1_554 . . . ?
K3 F4 B2 K1 58.1(2) 5_544 . . . ?
K3 F4 B2 K6 -112.59(14) 5_544 . . 5_545 ?
K3 F4 B2 K7 110.6(2) 5_544 . . 8_645 ?
K3 F4 B2 K2 -56.1(3) 5_544 . . 5_544 ?
K3 F4 B2 F3 4.4(4) 5_544 . . . ?
K3 F4 B2 O2 118.5(3) 5_544 . . . ?
K3 F4 B2 O1 -113.4(3) 5_544 . . . ?
K3 F3 B2 K1 -110.1(2) 5_544 . . . ?
K3 F3 B2 K6 55.8(3) 5_544 . . 5_545 ?
K3 F3 B2 K7 -57.6(2) 5_544 . . 8_645 ?
K3 F3 B2 K2 113.94(15) 5_544 . . 5_544 ?
K3 F3 B2 F4 -4.4(4) 5_544 . . . ?
K3 F3 B2 O2 -119.0(3) 5_544 . . . ?
K3 F3 B2 O1 113.6(3) 5_544 . . . ?
K3 F2 B1 K6 -34.0(4) 5_543 . . 5_545 ?
K3 F2 B1 K2 -88.42(13) 5_543 . . 5_544 ?
K3 F2 B1 F1 30.4(4) 5_543 . . . ?
K3 F2 B1 O1 -86.2(4) 5_543 . . . ?
K3 F2 B1 O4 146.8(4) 5_543 . . . ?
K3 F1 B1 K6 88.54(13) 5_543 . . 5_545 ?
K3 F1 B1 K2 30.9(4) 5_543 . . 5_544 ?
K3 F1 B1 F2 -30.0(4) 5_543 . . . ?
K3 F1 B1 O1 86.4(4) 5_543 . . . ?
K3 F1 B1 O4 -146.3(4) 5_543 . . . ?
K3 F5 B4 K2 -50.3(5) . . . 6_665 ?
K3 F5 B4 K2 54.5(6) . . . . ?
K3 F5 B4 K5 -122.2(6) . . . 1_556 ?
K3 F5 B4 O8 -110.2(5) . . . . ?
K3 F5 B4 O5 121.0(5) . . . . ?
K3 F5 B4 F6 3.0(8) . . . . ?
K3 F6 B4 K2 107.3(6) 6_664 . . . ?
K3 F6 B4 K2 -92.8(4) 6_664 . . 6_665 ?
K3 F6 B4 K5 -107.1(5) 6_664 . . 1_556 ?
K3 F6 B4 O8 -53.2(7) 6_664 . . . ?
K3 F6 B4 O5 73.3(5) 6_664 . . . ?
K3 F6 B4 F5 -167.5(3) 6_664 . . . ?
K3 F10 B8 K6 129.5(17) 1_554 . . 1_556 ?
K3 F10 B8 F11 154.7(14) 1_554 . . . ?
K3 F10 B8 O9 -83.7(17) 1_554 . . . ?
K3 F10 B8 O10 40(2) 1_554 . . . ?
B9 O10 B8 K6 -142.4(2) . . . 1_556 ?
B9 O10 B8 F11 163.3(4) . . . . ?
B9 O10 B8 O9 38.1(8) . . . . ?
B9 O10 B8 F10 -84.8(7) . . . . ?
B9 O10 B8 B8 99.2(3) . . . 4_655 ?
B9 O12 B7 K4 180.000(3) . . . 1_554 ?
B9 O12 B7 K6 -131.84(14) . . . 4_655 ?
B9 O12 B7 K6 131.84(14) . . . . ?
B9 O12 B7 K5 -73.2(7) . . . 4_655 ?
B9 O12 B7 K5 73.2(7) . . . . ?
B9 O12 B7 O9 0.000(5) . . . . ?
B9 O12 B7 F9 -125.3(5) . . . 4_655 ?
B9 O12 B7 F9 125.3(5) . . . . ?
B11 O13 B10 K4 180.000(4) . . . 5_554 ?
B11 O13 B10 K5 -122.13(17) . . . 5_554 ?
B11 O13 B10 K5 122.13(17) . . . 8_654 ?
B11 O13 B10 F12 -123.1(4) . . . 4_655 ?
B11 O13 B10 F12 123.1(4) . . . . ?
B11 O13 B10 O16 0.000(6) . . . . ?
B11 O14 B12 O15 180.000(4) . . . . ?
B11 O14 B12 O16 0.000(5) . . . . ?
B5 O5 B4 K2 -144.8(4) . . . . ?
B5 O5 B4 K2 -79.4(11) . . . 6_665 ?
B5 O5 B4 K5 64.2(5) . . . 1_556 ?
B5 O5 B4 O8 3.7(7) . . . . ?
B5 O5 B4 F5 127.3(5) . . . . ?
B5 O5 B4 F6 -116.2(6) . . . . ?
B5 O6 B6 O8 12.9(6) . . . . ?
B5 O6 B6 O7 -167.0(4) . . . . ?
B3 O2 B2 K1 -132.0(4) . . . . ?
B3 O2 B2 K6 62.4(5) . . . 5_545 ?
B3 O2 B2 K7 132.2(4) . . . 8_645 ?
B3 O2 B2 K2 -61.1(5) . . . 5_544 ?
B3 O2 B2 K3 -178.4(3) . . . 5_544 ?
B3 O2 B2 F4 125.0(4) . . . . ?
B3 O2 B2 F3 -123.7(4) . . . . ?
B3 O2 B2 O1 0.1(5) . . . . ?
B3 O4 B1 K6 -55.4(6) . . . 5_545 ?
B3 O4 B1 K2 58.7(6) . . . 5_544 ?
B3 O4 B1 K3 178.6(4) . . . 5_543 ?
B3 O4 B1 F2 123.7(5) . . . . ?
B3 O4 B1 F1 -124.5(5) . . . . ?
B3 O4 B1 O1 -0.1(6) . . . . ?
B12 O14 B11 K4 180.000(2) . . . 5_553 ?
B12 O14 B11 K7 132.94(11) . . . 1_554 ?
B12 O14 B11 K7 -132.94(11) . . . 4_654 ?
B12 O14 B11 K5 62.0(4) . . . 8_654 ?
B12 O14 B11 K5 -62.0(4) . . . 5_554 ?
B12 O14 B11 F13 123.9(4) . . . 4_655 ?
B12 O14 B11 F13 -123.9(4) . . . . ?
B12 O14 B11 O13 0.000(5) . . . . ?
B12 O16 B10 K4 180.000(4) . . . 5_554 ?
B12 O16 B10 K5 55.9(4) . . . 5_554 ?
B12 O16 B10 K5 -55.9(4) . . . 8_654 ?
B12 O16 B10 F12 -123.4(5) . . . . ?
B12 O16 B10 F12 123.4(5) . . . 4_655 ?
B12 O16 B10 O13 0.000(6) . . . . ?
B1 O1 B2 K1 66.9(6) . . . . ?
B1 O1 B2 K6 -126.0(4) . . . 5_545 ?
B1 O1 B2 K7 -71.1(6) . . . 8_645 ?
B1 O1 B2 K2 120.9(4) . . . 5_544 ?
B1 O1 B2 K3 177.2(3) . . . 5_544 ?
B1 O1 B2 F4 -125.1(4) . . . . ?
B1 O1 B2 F3 121.2(4) . . . . ?
B1 O1 B2 O2 -1.3(6) . . . . ?
B1 O4 B3 O2 -1.1(6) . . . . ?
B1 O4 B3 O3 179.7(4) . . . . ?
B10 O13 B11 K4 180.000(3) . . . 5_553 ?
B10 O13 B11 K7 69.0(5) . . . 4_654 ?
B10 O13 B11 K7 -69.0(5) . . . 1_554 ?
B10 O13 B11 K5 124.17(12) . . . 5_554 ?
B10 O13 B11 K5 -124.17(12) . . . 8_654 ?
B10 O13 B11 F13 122.6(3) . . . . ?
B10 O13 B11 F13 -122.6(3) . . . 4_655 ?
B10 O13 B11 O14 0.000(6) . . . . ?
B10 O16 B12 O15 180.000(4) . . . . ?
B10 O16 B12 O14 0.000(6) . . . . ?
B6 O8 B4 K2 66.7(9) . . . . ?
B6 O8 B4 K2 136.6(4) . . . 6_665 ?
B6 O8 B4 K5 -133.9(4) . . . 1_556 ?
B6 O8 B4 O5 -21.5(7) . . . . ?
B6 O8 B4 F5 -146.6(4) . . . . ?
B6 O8 B4 F6 99.9(6) . . . . ?
B6 O6 B5 K6 33.6(7) . . . 1_556 ?
B6 O6 B5 K5 151.7(3) . . . . ?
B6 O6 B5 F8 -154.8(4) . . . . ?
B6 O6 B5 F7 94.0(5) . . . . ?
B6 O6 B5 O5 -29.3(6) . . . . ?
B7 O9 B8 K6 142.2(9) . . . 1_556 ?
B7 O9 B8 F11 -162.1(4) . . . . ?
B7 O9 B8 O10 -38.7(8) . . . . ?
B7 O9 B8 F10 80.4(8) . . . . ?
B7 O9 B8 B8 -100.0(3) . . . 4_655 ?
B7 O12 B9 O11 180.000(4) . . . . ?
B7 O12 B9 O10 0.000(6) . . . . ?
B2 O2 B3 O3 -179.7(4) . . . . ?
B2 O2 B3 O4 1.1(6) . . . . ?
B2 O1 B1 K6 123.1(4) . . . 5_545 ?
B2 O1 B1 K2 -120.1(4) . . . 5_544 ?
B2 O1 B1 K3 -177.9(3) . . . 5_543 ?
B2 O1 B1 F2 -122.5(5) . . . . ?
B2 O1 B1 F1 125.6(4) . . . . ?
B2 O1 B1 O4 1.3(6) . . . . ?
B4 O8 B6 O7 -167.0(4) . . . . ?
B4 O8 B6 O6 13.0(6) . . . . ?
B4 O5 B5 K6 -120.1(5) . . . 1_556 ?
B4 O5 B5 K5 -161.8(6) . . . . ?
B4 O5 B5 F8 143.6(4) . . . . ?
B4 O5 B5 F7 -100.4(6) . . . . ?
B4 O5 B5 O6 20.4(6) . . . . ?
B8 F11 B8 K6 -150.0(3) 4_655 . . 1_556 ?
B8 F11 B8 O9 62.2(6) 4_655 . . . ?
B8 F11 B8 O10 -64.3(6) 4_655 . . . ?
B8 F11 B8 F10 -176.2(4) 4_655 . . . ?
B8 O9 B7 K4 160.0(4) 4_655 . . 1_554 ?
B8 O9 B7 K4 -160.0(4) . . . 1_554 ?
B8 O9 B7 K6 88.0(6) . . . 4_655 ?
B8 O9 B7 K6 48.0(8) 4_655 . . 4_655 ?
B8 O9 B7 K6 -48.0(8) . . . . ?
B8 O9 B7 K6 -88.0(6) 4_655 . . . ?
B8 O9 B7 K5 -150.1(5) 4_655 . . . ?
B8 O9 B7 K5 150.1(5) . . . 4_655 ?
B8 O9 B7 K5 110.0(4) 4_655 . . 4_655 ?
B8 O9 B7 K5 -110.0(4) . . . . ?
B8 O9 B7 F9 103.4(7) 4_655 . . 4_655 ?
B8 O9 B7 F9 -103.4(7) . . . . ?
B8 O9 B7 F9 143.4(6) . . . 4_655 ?
B8 O9 B7 F9 -143.4(6) 4_655 . . . ?
B8 O9 B7 O12 -20.0(4) 4_655 . . . ?
B8 O9 B7 O12 20.0(4) . . . . ?
B8 O9 B8 K6 -117.8(9) 4_655 . . 1_556 ?
B8 O9 B8 F11 -62.1(6) 4_655 . . . ?
B8 O9 B8 O10 61.2(7) 4_655 . . . ?
B8 O9 B8 F10 -179.6(6) 4_655 . . . ?
B8 O10 B9 O11 160.5(4) . . . . ?
B8 O10 B9 O11 -160.5(4) 4_655 . . . ?
B8 O10 B9 O12 -19.5(4) . . . . ?
B8 O10 B9 O12 19.5(4) 4_655 . . . ?
B8 O10 B8 K6 118.35(18) 4_655 . . 1_556 ?
B8 O10 B8 F11 64.0(6) 4_655 . . . ?
B8 O10 B8 O9 -61.2(8) 4_655 . . . ?
B8 O10 B8 F10 176.0(6) 4_655 . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.658
_oxdiff_exptl_absorpt_empirical_full_min 0.656
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.924(19)
2 0.076(19)

