# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_oo_oz680
_database_code_depnum_ccdc_archive 'CCDC 2428563'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas AM
United States of America
;
_audit_update_record             
;
2025-03-03 deposited with the CCDC.	2025-06-02 downloaded from the CCDC.
;
_audit_creation_date             2024-07-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/1
loop_
_audit_author_email
ozerov@chem.tamu.edu
nbhuv@mail.chem.tamu.edu
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C H B11 Cl11, C8 H18 F6 N O4 S2 Si2'
_chemical_formula_sum            'C9 H19 B11 Cl11 F6 N O4 S2 Si2'
_chemical_formula_weight         948.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         C12H20F6O4Si2Cl11B11S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   15.9754(3)
_cell_length_b                   16.3642(3)
_cell_length_c                   17.2574(4)
_cell_angle_alpha                71.799(2)
_cell_angle_beta                 72.239(2)
_cell_angle_gamma                62.887(2)
_cell_volume                     3743.54(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    39593
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      77.1450
_cell_measurement_theta_min      2.7040
_shelx_estimated_absorpt_T_max   0.505
_shelx_estimated_absorpt_T_min   0.144
_exptl_absorpt_coefficient_mu    9.635
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.387
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.98a (Rigaku Oxford Diffraction, 2023) 
Numerical absorption correction based on gaussian integration over 
a multifaceted crystal model 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3 2 -2 0.0418
-4 -3 3 0.0299
3 0 2 0.1585
4 -1 5 0.1661
-4 0 -3 0.1431
2 5 4 0.0216
-2 -5 -4 0.0694
-1 -5 -1 0.1041
2 -4 -3 0.1055

_exptl_crystal_size_max          0.328
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.082
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
3.0000 1.9999 -2.0001 -0.4179 0.0520 -0.0029
-3.9999 -2.9999 3.0002 0.5915 -0.0608 0.0431
3.0001 0.0001 2.0001 -0.0883 0.0027 0.3379
4.0001 -0.9998 5.0003 0.0678 -0.0378 0.6386
-4.0001 -0.0001 -3.0002 0.0970 0.0132 -0.4681
2.0000 5.0000 3.9999 -0.0981 -0.5135 0.0422
-2.0000 -5.0000 -3.9999 0.0981 0.5135 -0.0422
-0.9999 -4.9999 -0.9998 0.2133 0.3968 0.1937
2.0001 -3.9999 -2.9999 -0.1637 0.5250 0.2556

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0840
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            69970
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.070
_diffrn_reflns_theta_min         2.747
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -78.00  38.00   0.50    0.50    --    0.00 -76.00  77.00  232
  2  ω    -38.00  79.00   0.50    0.50    --    0.00  76.00-155.00  234
  3  ω    -38.00  79.00   0.50    0.50    --    0.00  76.00-155.00  234
  4  ω   -138.00 -22.00   0.50    3.00    --  -59.97 -76.00  77.00  232
  5  ω    -98.00  19.00   0.50    3.00    --  -59.97  76.00-155.00  234
  6  ω     22.00 138.00   0.50    3.00    --   59.97  76.00-155.00  232
  7  ω   -141.00 -25.00   0.50    6.00    -- -103.75  76.00-155.00  232
  8  ω   -177.00 -66.00   0.50    6.00    -- -103.75 -76.00  77.00  222
  9  ω     42.00 158.00   0.50    6.00    --  119.93 -76.00  77.00  232
 10  ω     82.00 178.00   0.50    6.00    --  119.93  76.00-155.00  192
 11  ω    -89.00 -56.00   0.50    0.50    --    0.00-178.00 -60.00   66
 12  ω    -89.00 -56.00   0.50    0.50    --    0.00-178.00  60.00   66
 13  ω    -38.00  16.00   0.50    0.50    --    0.00  77.00 120.00  108
 14  ω    -86.00 -16.00   0.50    3.00    --  -59.97 125.00 -60.00  140
 15  ω   -143.00-106.00   0.50    3.00    --  -59.97 -99.00-180.00   74
 16  ω   -137.00-103.00   0.50    3.00    --  -59.97 -57.00   0.00   68
 17  ω   -139.00-110.00   0.50    3.00    --  -59.97 -77.00-150.00   58
 18  ω   -138.00 -94.00   0.50    3.00    --  -59.97-125.00-120.00   88
 19  ω   -139.00-110.00   0.50    3.00    --  -59.97 -77.00-120.00   58
 20  ω   -137.00-103.00   0.50    3.00    --  -59.97 -57.00-150.00   68
 21  ω    103.00 137.00   0.50    3.00    --   59.97  57.00-120.00   68
 22  ω     34.00 112.00   0.50    3.00    --   59.97-125.00-150.00  156
 23  ω    110.00 139.00   0.50    3.00    --   59.97  77.00  60.00   58
 24  ω    -18.00  98.00   0.50    3.00    --   59.97 -76.00  77.00  232
 25  ω     34.00 112.00   0.50    3.00    --   59.97-125.00 -60.00  156
 26  ω    -28.00  12.00   0.50    3.00    --   59.97 -19.00 -90.00   80
 27  ω    110.00 139.00   0.50    3.00    --   59.97  77.00 -90.00   58
 28  ω   -177.00-106.00   0.50    6.00    -- -103.75 -61.00-150.00  142
 29  ω   -125.00 -53.00   0.50    6.00    -- -103.75 178.00   0.00  144
 30  ω    -49.00 -22.00   0.50    6.00    -- -103.75  45.00-150.00   54
 31  ω    -49.00 -22.00   0.50    6.00    -- -103.75  45.00 -30.00   54
 32  ω    -49.00 -22.00   0.50    6.00    -- -103.75  45.00  60.00   54
 33  ω   -177.00 -69.00   0.50    6.00    -- -103.75 -46.00 132.59  216
 34  ω   -177.00-110.00   0.50    6.00    -- -103.75 -77.00  60.00  134
 35  ω   -125.00 -53.00   0.50    6.00    -- -103.75 178.00-120.00  144
 36  ω    -83.00 -25.00   0.50    6.00    -- -103.75 112.00-150.00  116
 37  ω   -177.00 -69.00   0.50    6.00    -- -103.75 -46.00 132.59  216
 38  ω    -49.00 -22.00   0.50    6.00    -- -103.75  45.00  30.00   54
 39  ω    106.00 178.00   0.50    6.00    --  119.93  61.00 -90.00  144
 40  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00-180.00  138
 41  ω     40.00 108.00   0.50    6.00    --  119.93-112.00  30.00  136
 42  ω     40.00 108.00   0.50    6.00    --  119.93-112.00 -60.00  136
 43  ω     44.00  75.00   0.50    6.00    --  119.93 -61.00  90.00   62
 44  ω    103.00 178.00   0.50    6.00    --  119.93 112.00  90.00  150
 45  ω     63.00 146.00   0.50    6.00    --  119.93 178.00   0.00  166
 46  ω     40.00 108.00   0.50    6.00    --  119.93-112.00   0.00  136
 47  ω     63.00 146.00   0.50    6.00    --  119.93 178.00   0.00  166
 48  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00  30.00  138
 49  ω     35.00 176.00   0.50    6.00    --  119.93  15.00 150.00  282
 50  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00  30.00  138
 51  ω     35.00 176.00   0.50    6.00    --  119.93  15.00 150.00  282
 52  ω     40.00 108.00   0.50    6.00    --  119.93-112.00 120.00  136
 53  ω     40.00 108.00   0.50    6.00    --  119.93-112.00 -90.00  136
 54  ω     40.00 108.00   0.50    6.00    --  119.93-112.00-180.00  136
 55  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00  60.00  138
 56  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00 -60.00  138
 57  ω    110.00 178.00   0.50    6.00    --  119.93  77.00 -30.00  136
 58  ω    103.00 178.00   0.50    6.00    --  119.93 112.00 150.00  150
 59  ω     36.00 105.00   0.50    6.00    --  119.93 -95.00 -60.00  138
 60  ω    -35.00 -10.00   0.50    0.50    --    0.00  77.00-180.00   50
 61  ω    -19.00  16.00   0.50    0.50    --    0.00  77.00  60.00   70
 62  ω    -49.00 -24.00   0.50    0.50    --   10.00 122.00-162.30   50
 63  ω    -23.00   2.00   0.50    0.50    --   22.00  93.00-102.66   50
 64  ω    -16.00  10.00   0.50    0.50    --   26.00  85.00-131.43   52
 65  ω    -20.00   5.00   0.50    3.00    --  -30.00 -72.00-156.18   50
 66  ω    -19.00   6.00   0.50    3.00    --  -30.00 -74.00 -95.88   50
 67  ω     -7.00  18.00   0.50    3.00    --   30.00  74.00 134.45   50
 68  ω     -6.00  19.00   0.50    3.00    --   30.00  71.00 -42.46   50
 69  ω     -6.00  20.00   0.50    3.00    --   30.00  72.00-155.90   52
 70  ω     -1.00  25.00   0.50    3.00    --   34.00  67.00 -59.69   52
 71  ω      0.00  26.00   0.50    3.00    --   34.00  66.00-176.61   52
 72  ω    -33.00  -8.00   0.50    3.00    --  -38.00 -61.00 111.18   50
 73  ω    -31.00  -6.00   0.50    3.00    --  -38.00 -62.00 -44.50   50
 74  ω    -37.00 -12.00   0.50    3.00    --  -42.00 -58.00-120.85   50
 75  ω    -37.00 -12.00   0.50    3.00    --  -42.00 -58.00 -72.17   50
 76  ω    -42.00 -17.00   0.50    3.00    --  -46.00 -55.00  80.24   50
 77  ω    -44.00 -18.00   0.50    3.00    --  -46.00 -54.00 -94.56   52
 78  ω    -48.00 -22.00   0.50    3.00    --  -46.00 -51.00 -56.97   52
 79  ω    -43.00 -17.00   0.50    3.00    --  -46.00 -54.00 -25.18   52
 80  ω    -42.00 -17.00   0.50    3.00    --  -46.00 -55.00-126.11   50
 81  ω    -42.00 -16.00   0.50    3.00    --  -46.00 -55.00-175.63   52
 82  ω    -80.00 -33.00   0.50    3.00    --  -66.00 -46.00-144.42   94
 83  ω   -149.00-103.00   0.50    3.00    --  -70.00 -46.00  94.46   92
 84  ω    -86.00 -36.00   0.50    3.00    --  -70.00 -46.00  94.46  100
 85  ω    -68.00 -43.00   0.50    3.00    --  -78.00 -47.00-118.90   50
 86  ω   -118.00 -93.00   0.50    3.00    --  -78.00 -47.00-118.90   50
 87  ω   -147.00-121.00   0.50    3.00    --  -78.00 -47.00   0.19   52
 88  ω    -78.00 -43.00   0.50    3.00    --  -78.00 -47.00   0.19   70
 89  ω   -153.00-127.00   0.50    3.00    --  -78.00 -47.00 -58.86   52
 90  ω    -70.00 -44.00   0.50    3.00    --  -78.00 -47.00 161.71   52
 91  ω    -68.00 -43.00   0.50    3.00    --  -78.00 -47.00 -58.86   50
 92  ω    -75.00 -49.00   0.50    3.00    --  -82.00 -47.00 133.92   52
 93  ω   -128.00-101.00   0.50    3.00    --  -82.00 -47.00 133.92   54
 94  ω    -74.00 -47.00   0.50    3.00    --  -82.00 -47.00 -66.92   54
 95  ω    -74.00 -48.00   0.50    3.00    --  -82.00 -47.00  55.68   52
 96  ω    -77.00 -51.00   0.50    3.00    --  -86.00 -47.00 -94.83   52
 97  ω    -88.00 -51.00   0.50    3.00    --  -86.00 -47.00-144.59   74
 98  ω    -93.00 -51.00   0.50    3.00    --  -86.00 -47.00 -82.40   84
 99  ω    -88.00 -51.00   0.50    3.00    --  -86.00 -47.00 155.16   74
100  ω   -160.00-134.00   0.50    3.00    --  -86.00 -47.00 -82.40   52
101  ω    -77.00 -51.00   0.50    3.00    --  -86.00 -47.00 -10.14   52
102  ω    -91.00 -52.00   0.50    3.00    --  -86.00 -47.00 -21.57   78
103  ω    -78.00 -52.00   0.50    3.00    --  -86.00 -47.00 -39.77   52
104  ω    -76.00 -51.00   0.50    3.00    --  -86.00 -47.00  28.36   50
105  ω    -77.00 -51.00   0.50    3.00    --  -86.00 -47.00-165.09   52
106  ω    -86.00 -51.00   0.50    3.00    --  -86.00 -47.00  79.30   70
107  ω   -165.00-139.00   0.50    3.00    --  -86.00 -47.00  79.30   52
108  ω    -84.00 -59.00   0.50    6.00    --  -94.00 -46.00 107.15   50
109  ω    -92.00 -67.00   0.50    6.00    -- -102.00 -46.00-101.82   50
110  ω   -139.00-104.00   0.50    6.00    -- -103.75 -45.00-120.00   70
111  ω    -94.00 -69.00   0.50    6.00    -- -103.75 -45.00 -91.43   50
112  ω   -108.00 -72.00   0.50    6.00    -- -103.75 -45.00   0.00   72
113  ω    -95.00 -69.00   0.50    6.00    -- -103.75 -45.00  90.00   52
114  ω    -96.00 -70.00   0.50    6.00    -- -103.75 -46.00 -68.04   52
115  ω   -175.00-146.00   0.50    6.00    -- -103.75 -45.00   0.00   58
116  ω    -95.00 -69.00   0.50    6.00    -- -103.75 -45.00 161.47   52
117  ω   -172.00-135.00   0.50    6.00    -- -103.75 -46.00 -21.14   74
118  ω    -98.00 -69.00   0.50    6.00    -- -103.75 -46.00 -21.14   58
119  ω   -101.00 -69.00   0.50    6.00    -- -103.75 -45.00  60.00   64
120  ω   -177.00-151.00   0.50    6.00    -- -103.75 -45.00  90.00   52
121  ω   -175.00-150.00   0.50    6.00    -- -103.75 -46.00 -68.04   50
122  ω    -95.00 -69.00   0.50    6.00    -- -103.75 -46.00 143.82   52
123  ω   -111.00 -69.00   0.50    6.00    -- -103.75 -46.00 -61.00   84
124  ω    -99.00 -70.00   0.50    6.00    -- -103.75 -45.00  14.09   58
125  ω    -95.00 -69.00   0.50    6.00    -- -103.75 -46.00  76.51   52
126  ω   -113.00 -69.00   0.50    6.00    -- -103.75 -45.00-170.31   88
127  ω   -154.00-122.00   0.50    6.00    -- -103.75 -45.00-170.31   64
128  ω   -109.00 -69.00   0.50    6.00    -- -103.75 -46.00 113.42   80
129  ω   -129.00 -69.00   0.50    6.00    -- -103.75 -45.00-133.47  120
130  ω   -102.00 -69.00   0.50    6.00    -- -103.75 -46.00 -38.41   66
131  ω   -174.00-146.00   0.50    6.00    -- -103.75 -46.00 -38.41   56
132  ω    -94.00 -90.00   0.50    6.00    -- -103.75 -45.00-120.00    8
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0707292000
_diffrn_orient_matrix_UB_12      -0.0409059000
_diffrn_orient_matrix_UB_13      0.0619620000
_diffrn_orient_matrix_UB_21      0.0345247000
_diffrn_orient_matrix_UB_22      -0.0761810000
_diffrn_orient_matrix_UB_23      -0.0504144000
_diffrn_orient_matrix_UB_31      0.0774210000
_diffrn_orient_matrix_UB_32      -0.0647881000
_diffrn_orient_matrix_UB_33      0.0528133000
_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_current           '1 mA'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           '50 kV'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12263
_reflns_number_total             14161
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.98a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.128a 64-bit (release 20-06-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.98a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     887
_refine_ls_number_reflns         14161
_refine_ls_number_restraints     197
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.046
_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)+(0.1001P)²+11.9708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1810
_refine_ls_wR_factor_ref         0.1866
_refine_special_details          
;
Crystal of this sample were extremely sensitive. 
Several trials were made to pick crystals from the 
mother liquor, crystals in oil, etc., all resulted 
crystals which were multiply cracked and or twinned 
and was also decomposing rapidly. 

Data collection was also tried at two different 
crystal to detector distances namely, 3.4 cm and 
5 cm. Our trials to index the reflections with 
multiple crack or twin components were not 
successful. Only 40 percent of reflections were 
indexed into a single phase. 
The best data with the latter distance was 
reduced assuming only a single component. 

Structure was solved in triclinic P-1, with 
Z = 4, Z' = 2. Elongated ellipsoids and residual 
electron density peaks near [S2, O3, O4] and 
[S2P, O3P] suggested disorder which were 
successfully modeled between two positions each.
The occupancy ratio of the two disordered pairs 
were very similar and were fixed to one restrained 
occupancy ratio which refined to 0.92.  We were not 
successful in modeling additional disorder which 
manifested from the above, resulting in a few short 
contacts. Given the poor quality of the data, no 
efforts were made to fix the short contacts either. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 S2Q-C5P \\sim S2P-C5P
 with sigma of 0.02
 S2P-O4P \\sim S2Q-O4P
 with sigma of 0.02
 S2A-O4A \\sim S2-O4
 with sigma of 0.01
 Si2-O4A \\sim Si2-O4
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O3 \\sim S2 \\sim O4 \\sim C5 \\sim S2A \\sim O3A \\sim O4A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
S2Q \\sim O4P \\sim S2P \\sim O3P \\sim C5P \\sim O3Q \\sim N1P: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 O3, S2, O4, C5, S2A, O3A, O4A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 S2Q, O4P, S2P, O3P, C5P, O3Q, N1P
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(S2A)=Sof(O3A)=Sof(S2Q)=Sof(O3Q)=Sof(O4A)=1-FVAR(1)
 Sof(S2)=Sof(O3)=Sof(O4)=Sof(S2P)=Sof(O3P)=FVAR(1)
6.a Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C6(H6A,H6B,H6C), C7(H7A,
 H7B,H7C), C8(H8A,H8B,H8C), C1P(H1PA,H1PB,H1PC), C2P(H2PA,H2PB,H2PC), C3P(H3PA,
 H3PB,H3PC), C6P(H6PA,H6PB,H6PC), C7P(H7PA,H7PB,H7PC), C8P(H8PA,H8PB,H8PC)
6.b Boron cage BH refined with riding coordinates:
 C1C(H1CA), C1D(H1D)
;
_atom_sites_solution_hydrogens   geom
_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
Cl1 Cl 0.02194(9) 0.10689(9) 0.85522(7) 0.0371(3) Uani 1 1 d . . . . .
Cl2 Cl 0.26811(8) 0.00713(8) 0.87248(7) 0.0357(3) Uani 1 1 d . . . . .
Cl3 Cl 0.27768(8) -0.01392(8) 1.08126(8) 0.0369(3) Uani 1 1 d . . . . .
Cl4 Cl 0.04079(9) 0.06683(8) 1.19509(7) 0.0354(3) Uani 1 1 d . . . . .
Cl5 Cl -0.12167(8) 0.14594(9) 1.05434(8) 0.0385(3) Uani 1 1 d . . . . .
Cl6 Cl 0.15848(9) 0.26144(9) 0.77870(7) 0.0397(3) Uani 1 1 d . . . . .
Cl7 Cl 0.31845(8) 0.18442(8) 0.92379(8) 0.0371(3) Uani 1 1 d . . . . .
Cl8 Cl 0.17084(8) 0.21969(8) 1.13123(7) 0.0336(2) Uani 1 1 d . . . . .
Cl9 Cl -0.08198(8) 0.32440(8) 1.11232(8) 0.0403(3) Uani 1 1 d . . . . .
Cl10 Cl -0.09006(9) 0.34859(9) 0.89372(8) 0.0419(3) Uani 1 1 d . . . . .
Cl11 Cl 0.09061(9) 0.39441(8) 0.94148(8) 0.0390(3) Uani 1 1 d . . . . .
C1C C 0.0965(3) 0.0699(3) 1.0102(3) 0.0268(9) Uani 1 1 d . . . . .
H1CA H 0.097182 -0.002158 1.025911 0.032 Uiso 1 1 calc R U . . .
B1C B 0.0588(4) 0.1435(4) 0.9202(3) 0.0291(10) Uani 1 1 d . . . . .
B2C B 0.1821(4) 0.0943(4) 0.9285(3) 0.0280(10) Uani 1 1 d . . . . .
B3C B 0.1864(4) 0.0827(3) 1.0338(3) 0.0265(10) Uani 1 1 d . . . . .
B4C B 0.0667(4) 0.1241(4) 1.0910(3) 0.0268(10) Uani 1 1 d . . . . .
B5C B -0.0134(4) 0.1625(4) 1.0207(3) 0.0291(10) Uani 1 1 d . . . . .
B6C B 0.1252(4) 0.2151(3) 0.8860(3) 0.0280(10) Uani 1 1 d . . . . .
B7C B 0.2047(4) 0.1770(4) 0.9568(3) 0.0281(10) Uani 1 1 d . . . . .
B8C B 0.1324(4) 0.1958(3) 1.0577(3) 0.0266(10) Uani 1 1 d . . . . .
B9C B 0.0083(4) 0.2455(4) 1.0494(3) 0.0303(11) Uani 1 1 d . . . . .
B10C B 0.0048(4) 0.2578(4) 0.9427(3) 0.0299(11) Uani 1 1 d . . . . .
B11C B 0.0938(4) 0.2790(4) 0.9660(3) 0.0287(10) Uani 1 1 d . . . . .
Cl1D Cl 0.45966(10) 0.39269(10) 0.14401(8) 0.0426(3) Uani 1 1 d . . . . .
Cl2D Cl 0.21916(9) 0.49249(9) 0.24768(8) 0.0426(3) Uani 1 1 d . . . . .
Cl3D Cl 0.21859(10) 0.51337(8) 0.44560(9) 0.0483(3) Uani 1 1 d . . . . .
Cl4D Cl 0.46136(11) 0.42841(9) 0.46616(9) 0.0480(3) Uani 1 1 d . . . . .
Cl5D Cl 0.61243(10) 0.35161(10) 0.27955(9) 0.0466(3) Uani 1 1 d . . . . .
Cl6D Cl 0.32453(9) 0.23891(9) 0.24207(8) 0.0393(3) Uani 1 1 d . . . . .
Cl7D Cl 0.17348(8) 0.31314(8) 0.43478(8) 0.0376(3) Uani 1 1 d . . . . .
Cl8D Cl 0.32602(8) 0.27617(8) 0.57299(7) 0.0355(3) Uani 1 1 d . . . . .
Cl9D Cl 0.57800(8) 0.17069(9) 0.46678(8) 0.0395(3) Uani 1 1 d . . . . .
Cl12 Cl 0.57729(9) 0.15045(9) 0.25941(8) 0.0421(3) Uani 1 1 d . . . . .
Cl13 Cl 0.40000(8) 0.10385(8) 0.44160(8) 0.0365(3) Uani 1 1 d . . . . .
C1D C 0.3951(4) 0.4275(3) 0.3199(3) 0.0332(10) Uani 1 1 d . . . . .
H1D H 0.394841 0.499289 0.292498 0.040 Uiso 1 1 calc R U . . .
B1D B 0.4284(4) 0.3547(4) 0.2529(3) 0.0320(11) Uani 1 1 d . . . . .
B2D B 0.3070(4) 0.4047(4) 0.3050(3) 0.0315(11) Uani 1 1 d . . . . .
B3D B 0.3076(4) 0.4153(4) 0.4040(3) 0.0326(11) Uani 1 1 d . . . . .
B4D B 0.4291(4) 0.3726(4) 0.4144(3) 0.0332(11) Uani 1 1 d . . . . .
B5D B 0.5047(4) 0.3347(4) 0.3206(4) 0.0328(11) Uani 1 1 d . . . . .
B6D B 0.3618(4) 0.2840(4) 0.3006(3) 0.0294(10) Uani 1 1 d . . . . .
B7D B 0.2870(4) 0.3209(4) 0.3952(3) 0.0282(10) Uani 1 1 d . . . . .
B8D B 0.3626(4) 0.3010(4) 0.4631(3) 0.0283(10) Uani 1 1 d . . . . .
B9D B 0.4849(4) 0.2514(4) 0.4110(3) 0.0302(11) Uani 1 1 d . . . . .
B10D B 0.4848(4) 0.2401(4) 0.3104(3) 0.0301(11) Uani 1 1 d . . . . .
B11D B 0.3971(4) 0.2190(3) 0.3993(3) 0.0266(10) Uani 1 1 d . . . . .
S1 S 0.56150(10) 0.21391(9) 0.78196(8) 0.0378(3) Uani 1 1 d . . . . .
S2 S 0.53585(15) 0.33178(10) 0.87871(12) 0.0572(5) Uani 0.918(3) 1 d D U P A 1
Si1 Si 0.55880(9) 0.02863(9) 0.77400(8) 0.0309(3) Uani 1 1 d . . . . .
Si2 Si 0.32613(13) 0.45202(11) 0.94590(10) 0.0473(4) Uani 1 1 d D . . . .
F1 F 0.5405(3) 0.2500(3) 0.6313(2) 0.0606(9) Uani 1 1 d . . . . .
F2 F 0.5036(4) 0.3726(3) 0.6784(3) 0.0794(13) Uani 1 1 d . . . . .
F3 F 0.4067(3) 0.3022(3) 0.7186(3) 0.0664(11) Uani 1 1 d . . . . .
F4 F 0.7046(3) 0.2152(3) 0.9040(3) 0.0667(10) Uani 1 1 d . . . . .
F5 F 0.6324(4) 0.3178(3) 0.9812(3) 0.0894(16) Uani 1 1 d . . . . .
F6 F 0.5909(3) 0.2043(3) 1.0085(3) 0.0714(11) Uani 1 1 d . . . . .
O1 O 0.5334(2) 0.1341(2) 0.8067(2) 0.0355(7) Uani 1 1 d . . . . .
O2 O 0.6598(3) 0.1952(3) 0.7514(3) 0.0501(10) Uani 1 1 d . . . . .
O3 O 0.5759(6) 0.3879(4) 0.8116(4) 0.090(2) Uani 0.918(3) 1 d . U P A 1
O4 O 0.4535(4) 0.3819(4) 0.9386(4) 0.0715(16) Uani 0.918(3) 1 d D U P A 1
N1 N 0.5080(4) 0.2629(3) 0.8580(3) 0.0493(12) Uani 1 1 d . . . . .
C1 C 0.5386(4) -0.0474(4) 0.8747(3) 0.0384(11) Uani 1 1 d . . . . .
H1A H 0.476133 -0.014048 0.907144 0.058 Uiso 1 1 calc R U . . .
H1B H 0.589160 -0.064540 0.904791 0.058 Uiso 1 1 calc R U . . .
H1C H 0.539573 -0.104240 0.866025 0.058 Uiso 1 1 calc R U . . .
C2 C 0.6826(4) -0.0039(4) 0.7148(3) 0.0406(12) Uani 1 1 d . . . . .
H2A H 0.687893 0.050045 0.671600 0.061 Uiso 1 1 calc R U . . .
H2B H 0.699291 -0.056097 0.688760 0.061 Uiso 1 1 calc R U . . .
H2C H 0.726399 -0.022977 0.752352 0.061 Uiso 1 1 calc R U . . .
C3 C 0.4685(4) 0.0682(4) 0.7110(3) 0.0405(12) Uani 1 1 d . . . . .
H3A H 0.484288 0.108521 0.658420 0.061 Uiso 1 1 calc R U . . .
H3B H 0.405342 0.103568 0.741242 0.061 Uiso 1 1 calc R U . . .
H3C H 0.467452 0.013673 0.699562 0.061 Uiso 1 1 calc R U . . .
C4 C 0.4971(5) 0.2917(4) 0.6960(4) 0.0529(15) Uani 1 1 d . . . . .
C5 C 0.6227(5) 0.2629(4) 0.9493(5) 0.0599(16) Uani 1 1 d . U . . .
C6 C 0.2995(4) 0.4563(4) 0.8476(3) 0.0417(12) Uani 1 1 d . . . . .
H6A H 0.341662 0.479346 0.800664 0.063 Uiso 1 1 calc R U . . .
H6B H 0.232544 0.498523 0.845067 0.063 Uiso 1 1 calc R U . . .
H6C H 0.310226 0.393214 0.844961 0.063 Uiso 1 1 calc R U . . .
C7 C 0.3222(4) 0.5593(4) 0.9585(4) 0.0464(13) Uani 1 1 d . . . . .
H7A H 0.367419 0.579631 0.912884 0.070 Uiso 1 1 calc R U . . .
H7B H 0.339795 0.548415 1.011601 0.070 Uiso 1 1 calc R U . . .
H7C H 0.257258 0.608086 0.957800 0.070 Uiso 1 1 calc R U . . .
C8 C 0.2673(9) 0.3931(8) 1.0384(5) 0.115(4) Uani 1 1 d . . . . .
H8A H 0.280405 0.398666 1.088036 0.172 Uiso 1 1 calc R U . . .
H8B H 0.291751 0.326654 1.036818 0.172 Uiso 1 1 calc R U . . .
H8C H 0.197987 0.422199 1.040323 0.172 Uiso 1 1 calc R U . . .
S1P S -0.06629(10) 0.27683(9) 0.44852(9) 0.0403(3) Uani 1 1 d . . . . .
S2P S -0.04284(11) 0.15329(10) 0.59994(9) 0.0412(4) Uani 0.918(3) 1 d D U P A 1
Si1P Si -0.06041(10) 0.46364(9) 0.33189(9) 0.0357(3) Uani 1 1 d . . . . .
Si2P Si 0.16865(10) 0.03045(11) 0.61425(9) 0.0403(3) Uani 1 1 d . . . . .
F1P F -0.0488(3) 0.2473(3) 0.3054(2) 0.0658(10) Uani 1 1 d . . . . .
F2P F -0.0099(4) 0.1218(3) 0.4009(3) 0.0732(12) Uani 1 1 d . . . . .
F3P F 0.0855(3) 0.1937(3) 0.3452(2) 0.0638(10) Uani 1 1 d . . . . .
F4P F -0.2027(2) 0.2814(2) 0.6513(2) 0.0571(9) Uani 1 1 d . . . . .
F5P F -0.1406(2) 0.1683(2) 0.7485(2) 0.0530(8) Uani 1 1 d . . . . .
F6P F -0.0820(3) 0.2721(3) 0.6905(2) 0.0605(9) Uani 1 1 d . . . . .
O1P O -0.0394(3) 0.3577(2) 0.4127(2) 0.0393(8) Uani 1 1 d . . . . .
O2P O -0.1656(3) 0.2965(3) 0.4630(3) 0.0541(10) Uani 1 1 d . . . . .
O3P O -0.0894(4) 0.1035(3) 0.5885(3) 0.0650(14) Uani 0.918(3) 1 d . U P A 1
O4P O 0.0415(3) 0.0969(3) 0.6402(3) 0.0591(12) Uani 1 1 d D U . . .
N1P N -0.0119(3) 0.2223(3) 0.5236(3) 0.0454(10) Uani 1 1 d . U . . .
C1P C -0.0367(4) 0.5375(4) 0.3765(4) 0.0439(12) Uani 1 1 d . . . . .
H1PA H 0.022216 0.500368 0.399031 0.066 Uiso 1 1 calc R U . . .
H1PB H -0.090455 0.561135 0.421189 0.066 Uiso 1 1 calc R U . . .
H1PC H -0.029236 0.590520 0.333169 0.066 Uiso 1 1 calc R U . . .
C2P C -0.1853(4) 0.5026(4) 0.3230(4) 0.0464(13) Uani 1 1 d . . . . .
H2PA H -0.227861 0.517917 0.375644 0.070 Uiso 1 1 calc R U . . .
H2PB H -0.192926 0.452330 0.310302 0.070 Uiso 1 1 calc R U . . .
H2PC H -0.201649 0.558324 0.278361 0.070 Uiso 1 1 calc R U . . .
C3P C 0.0284(4) 0.4233(4) 0.2411(3) 0.0426(12) Uani 1 1 d . . . . .
H3PA H 0.091590 0.386332 0.256349 0.064 Uiso 1 1 calc R U . . .
H3PB H 0.030523 0.477629 0.196895 0.064 Uiso 1 1 calc R U . . .
H3PC H 0.010741 0.384413 0.221284 0.064 Uiso 1 1 calc R U . . .
C4P C -0.0051(5) 0.2047(4) 0.3700(4) 0.0522(15) Uani 1 1 d . . . . .
C5P C -0.1229(4) 0.2234(4) 0.6790(4) 0.0458(13) Uani 1 1 d D U . . .
C6P C 0.1916(4) 0.0282(4) 0.5039(4) 0.0510(14) Uani 1 1 d . . . . .
H6PA H 0.148960 0.005021 0.495402 0.077 Uiso 1 1 calc R U . . .
H6PB H 0.258399 -0.013295 0.486874 0.077 Uiso 1 1 calc R U . . .
H6PC H 0.179545 0.091748 0.470596 0.077 Uiso 1 1 calc R U . . .
C7P C 0.1826(4) -0.0826(4) 0.6855(4) 0.0534(15) Uani 1 1 d . . . . .
H7PA H 0.156004 -0.072981 0.742666 0.080 Uiso 1 1 calc R U . . .
H7PB H 0.250770 -0.124186 0.680446 0.080 Uiso 1 1 calc R U . . .
H7PC H 0.148453 -0.111240 0.671368 0.080 Uiso 1 1 calc R U . . .
C8P C 0.2213(6) 0.0951(6) 0.6376(4) 0.069(2) Uani 1 1 d . . . . .
H8PA H 0.200513 0.159056 0.604248 0.103 Uiso 1 1 calc R U . . .
H8PB H 0.291336 0.063860 0.624302 0.103 Uiso 1 1 calc R U . . .
H8PC H 0.200659 0.097337 0.696744 0.103 Uiso 1 1 calc R U . . .
S2A S 0.5102(15) 0.2731(12) 0.9218(14) 0.059(3) Uani 0.082(3) 1 d D U P A 2
O3A O 0.516(4) 0.191(3) 0.968(4) 0.056(8) Uani 0.082(3) 1 d . U P A 2
S2Q S -0.0183(11) 0.1946(12) 0.5962(10) 0.051(3) Uani 0.082(3) 1 d D U P A 2
O3Q O -0.015(4) 0.288(4) 0.603(3) 0.054(7) Uani 0.082(3) 1 d . U P A 2
O4A O 0.432(3) 0.347(3) 0.964(3) 0.064(5) Uani 0.082(3) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 B1C 1.762(5) . ?
Cl2 B2C 1.767(5) . ?
Cl3 B3C 1.765(5) . ?
Cl4 B4C 1.768(5) . ?
Cl5 B5C 1.767(5) . ?
Cl6 B6C 1.782(5) . ?
Cl7 B7C 1.780(5) . ?
Cl8 B8C 1.773(5) . ?
Cl9 B9C 1.775(5) . ?
Cl10 B10C 1.779(5) . ?
Cl11 B11C 1.782(5) . ?
C1C H1CA 1.1200 . ?
C1C B1C 1.723(7) . ?
C1C B2C 1.727(7) . ?
C1C B3C 1.719(7) . ?
C1C B4C 1.715(6) . ?
C1C B5C 1.722(6) . ?
B1C B2C 1.790(7) . ?
B1C B5C 1.796(7) . ?
B1C B6C 1.780(7) . ?
B1C B10C 1.781(7) . ?
B2C B3C 1.786(7) . ?
B2C B6C 1.772(7) . ?
B2C B7C 1.780(7) . ?
B3C B4C 1.782(7) . ?
B3C B7C 1.769(7) . ?
B3C B8C 1.774(7) . ?
B4C B5C 1.800(7) . ?
B4C B8C 1.773(7) . ?
B4C B9C 1.778(7) . ?
B5C B9C 1.778(7) . ?
B5C B10C 1.785(8) . ?
B6C B7C 1.800(7) . ?
B6C B10C 1.789(7) . ?
B6C B11C 1.802(7) . ?
B7C B8C 1.801(7) . ?
B7C B11C 1.801(7) . ?
B8C B9C 1.801(7) . ?
B8C B11C 1.795(7) . ?
B9C B10C 1.804(7) . ?
B9C B11C 1.796(8) . ?
B10C B11C 1.786(8) . ?
Cl1D B1D 1.775(5) . ?
Cl2D B2D 1.770(5) . ?
Cl3D B3D 1.769(5) . ?
Cl4D B4D 1.765(5) . ?
Cl5D B5D 1.762(6) . ?
Cl6D B6D 1.775(5) . ?
Cl7D B7D 1.780(5) . ?
Cl8D B8D 1.779(5) . ?
Cl9D B9D 1.781(5) . ?
Cl12 B10D 1.774(5) . ?
Cl13 B11D 1.779(5) . ?
C1D H1D 1.1200 . ?
C1D B1D 1.716(7) . ?
C1D B2D 1.717(7) . ?
C1D B3D 1.714(8) . ?
C1D B4D 1.715(7) . ?
C1D B5D 1.717(7) . ?
B1D B2D 1.786(8) . ?
B1D B5D 1.796(8) . ?
B1D B6D 1.772(8) . ?
B1D B10D 1.776(8) . ?
B2D B3D 1.774(8) . ?
B2D B6D 1.775(7) . ?
B2D B7D 1.781(8) . ?
B3D B4D 1.786(8) . ?
B3D B7D 1.778(7) . ?
B3D B8D 1.780(7) . ?
B4D B5D 1.793(8) . ?
B4D B8D 1.784(8) . ?
B4D B9D 1.778(7) . ?
B5D B9D 1.777(8) . ?
B5D B10D 1.785(7) . ?
B6D B7D 1.797(7) . ?
B6D B10D 1.801(8) . ?
B6D B11D 1.806(7) . ?
B7D B8D 1.790(7) . ?
B7D B11D 1.791(7) . ?
B8D B9D 1.795(7) . ?
B8D B11D 1.787(7) . ?
B9D B10D 1.804(8) . ?
B9D B11D 1.791(7) . ?
B10D B11D 1.799(7) . ?
S1 O1 1.470(4) . ?
S1 O2 1.413(4) . ?
S1 N1 1.564(5) . ?
S1 C4 1.854(6) . ?
S2 O3 1.419(7) . ?
S2 O4 1.479(6) . ?
S2 N1 1.550(5) . ?
S2 C5 1.851(7) . ?
Si1 O1 1.814(3) . ?
Si1 C1 1.828(5) . ?
Si1 C2 1.840(5) . ?
Si1 C3 1.830(5) . ?
Si2 O4 1.811(5) . ?
Si2 C6 1.844(6) . ?
Si2 C7 1.806(6) . ?
Si2 C8 1.820(8) . ?
Si2 O4A 1.805(11) . ?
F1 C4 1.329(7) . ?
F2 C4 1.308(7) . ?
F3 C4 1.319(8) . ?
F4 C5 1.326(8) . ?
F5 C5 1.273(7) . ?
F6 C5 1.319(9) . ?
N1 S2A 1.176(19) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C5 S2A 1.92(2) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
S1P O1P 1.472(4) . ?
S1P O2P 1.423(4) . ?
S1P N1P 1.577(5) . ?
S1P C4P 1.823(6) . ?
S2P O3P 1.414(5) . ?
S2P O4P 1.479(4) . ?
S2P N1P 1.562(5) . ?
S2P C5P 1.841(6) . ?
Si1P O1P 1.818(4) . ?
Si1P C1P 1.838(6) . ?
Si1P C2P 1.837(6) . ?
Si1P C3P 1.828(6) . ?
Si2P O4P 1.802(4) . ?
Si2P C6P 1.835(6) . ?
Si2P C7P 1.832(6) . ?
Si2P C8P 1.809(7) . ?
F1P C4P 1.327(7) . ?
F2P C4P 1.323(7) . ?
F3P C4P 1.320(8) . ?
F4P C5P 1.320(7) . ?
F5P C5P 1.297(7) . ?
F6P C5P 1.323(7) . ?
O4P S2Q 1.528(14) . ?
N1P S2Q 1.182(16) . ?
C1P H1PA 0.9800 . ?
C1P H1PB 0.9800 . ?
C1P H1PC 0.9800 . ?
C2P H2PA 0.9800 . ?
C2P H2PB 0.9800 . ?
C2P H2PC 0.9800 . ?
C3P H3PA 0.9800 . ?
C3P H3PB 0.9800 . ?
C3P H3PC 0.9800 . ?
C5P S2Q 1.816(15) . ?
C6P H6PA 0.9800 . ?
C6P H6PB 0.9800 . ?
C6P H6PC 0.9800 . ?
C7P H7PA 0.9800 . ?
C7P H7PB 0.9800 . ?
C7P H7PC 0.9800 . ?
C8P H8PA 0.9800 . ?
C8P H8PB 0.9800 . ?
C8P H8PC 0.9800 . ?
S2A O3A 1.30(6) . ?
S2A O4A 1.473(11) . ?
S2Q O3Q 1.59(6) . ?

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
B1C C1C H1CA 117.7 . . ?
B1C C1C B2C 62.5(3) . . ?
B2C C1C H1CA 118.0 . . ?
B3C C1C H1CA 118.0 . . ?
B3C C1C B1C 114.3(4) . . ?
B3C C1C B2C 62.5(3) . . ?
B3C C1C B5C 114.7(3) . . ?
B4C C1C H1CA 117.5 . . ?
B4C C1C B1C 115.1(3) . . ?
B4C C1C B2C 114.5(3) . . ?
B4C C1C B3C 62.5(3) . . ?
B4C C1C B5C 63.2(3) . . ?
B5C C1C H1CA 117.4 . . ?
B5C C1C B1C 62.8(3) . . ?
B5C C1C B2C 114.6(4) . . ?
Cl1 B1C B2C 120.6(3) . . ?
Cl1 B1C B5C 119.8(3) . . ?
Cl1 B1C B6C 125.6(4) . . ?
Cl1 B1C B10C 125.4(3) . . ?
C1C B1C Cl1 121.2(3) . . ?
C1C B1C B2C 58.9(3) . . ?
C1C B1C B5C 58.6(3) . . ?
C1C B1C B6C 104.4(4) . . ?
C1C B1C B10C 104.3(3) . . ?
B2C B1C B5C 108.1(4) . . ?
B6C B1C B2C 59.5(3) . . ?
B6C B1C B5C 108.2(4) . . ?
B6C B1C B10C 60.3(3) . . ?
B10C B1C B2C 107.8(4) . . ?
B10C B1C B5C 59.9(3) . . ?
Cl2 B2C B1C 120.2(3) . . ?
Cl2 B2C B3C 119.8(3) . . ?
Cl2 B2C B6C 126.0(3) . . ?
Cl2 B2C B7C 125.4(3) . . ?
C1C B2C Cl2 120.5(3) . . ?
C1C B2C B1C 58.6(3) . . ?
C1C B2C B3C 58.5(3) . . ?
C1C B2C B6C 104.6(3) . . ?
C1C B2C B7C 104.5(3) . . ?
B3C B2C B1C 107.9(4) . . ?
B6C B2C B1C 60.0(3) . . ?
B6C B2C B3C 108.1(3) . . ?
B6C B2C B7C 60.9(3) . . ?
B7C B2C B1C 108.7(3) . . ?
B7C B2C B3C 59.5(3) . . ?
Cl3 B3C B2C 120.3(3) . . ?
Cl3 B3C B4C 120.1(3) . . ?
Cl3 B3C B7C 124.2(3) . . ?
Cl3 B3C B8C 124.2(3) . . ?
C1C B3C Cl3 121.7(3) . . ?
C1C B3C B2C 59.0(3) . . ?
C1C B3C B4C 58.6(3) . . ?
C1C B3C B7C 105.3(3) . . ?
C1C B3C B8C 104.9(3) . . ?
B4C B3C B2C 108.4(3) . . ?
B7C B3C B2C 60.1(3) . . ?
B7C B3C B4C 108.9(3) . . ?
B7C B3C B8C 61.1(3) . . ?
B8C B3C B2C 108.9(3) . . ?
B8C B3C B4C 59.8(3) . . ?
Cl4 B4C B3C 119.2(3) . . ?
Cl4 B4C B5C 121.3(3) . . ?
Cl4 B4C B8C 124.2(3) . . ?
Cl4 B4C B9C 125.8(3) . . ?
C1C B4C Cl4 120.9(3) . . ?
C1C B4C B3C 58.9(3) . . ?
C1C B4C B5C 58.6(3) . . ?
C1C B4C B8C 105.1(4) . . ?
C1C B4C B9C 104.7(4) . . ?
B3C B4C B5C 108.0(3) . . ?
B8C B4C B3C 59.9(3) . . ?
B8C B4C B5C 108.5(4) . . ?
B8C B4C B9C 61.0(3) . . ?
B9C B4C B3C 108.4(4) . . ?
B9C B4C B5C 59.6(3) . . ?
Cl5 B5C B1C 120.3(3) . . ?
Cl5 B5C B4C 120.9(3) . . ?
Cl5 B5C B9C 124.7(3) . . ?
Cl5 B5C B10C 125.1(3) . . ?
C1C B5C Cl5 121.9(3) . . ?
C1C B5C B1C 58.6(3) . . ?
C1C B5C B4C 58.2(3) . . ?
C1C B5C B9C 104.3(4) . . ?
C1C B5C B10C 104.2(3) . . ?
B1C B5C B4C 107.5(4) . . ?
B9C B5C B1C 108.5(4) . . ?
B9C B5C B4C 59.6(3) . . ?
B9C B5C B10C 60.8(3) . . ?
B10C B5C B1C 59.7(3) . . ?
B10C B5C B4C 107.8(4) . . ?
Cl6 B6C B7C 120.8(3) . . ?
Cl6 B6C B10C 122.8(3) . . ?
Cl6 B6C B11C 122.4(3) . . ?
B1C B6C Cl6 122.0(3) . . ?
B1C B6C B7C 108.2(4) . . ?
B1C B6C B10C 59.9(3) . . ?
B1C B6C B11C 107.5(4) . . ?
B2C B6C Cl6 120.8(3) . . ?
B2C B6C B1C 60.5(3) . . ?
B2C B6C B7C 59.8(3) . . ?
B2C B6C B10C 108.2(4) . . ?
B2C B6C B11C 107.6(4) . . ?
B7C B6C B11C 60.0(3) . . ?
B10C B6C B7C 108.0(4) . . ?
B10C B6C B11C 59.6(3) . . ?
Cl7 B7C B6C 122.1(3) . . ?
Cl7 B7C B8C 121.7(3) . . ?
Cl7 B7C B11C 122.4(3) . . ?
B2C B7C Cl7 121.8(3) . . ?
B2C B7C B6C 59.3(3) . . ?
B2C B7C B8C 108.0(4) . . ?
B2C B7C B11C 107.3(4) . . ?
B3C B7C Cl7 121.7(3) . . ?
B3C B7C B2C 60.5(3) . . ?
B3C B7C B6C 107.6(4) . . ?
B3C B7C B8C 59.6(3) . . ?
B3C B7C B11C 107.1(4) . . ?
B6C B7C B8C 107.9(3) . . ?
B6C B7C B11C 60.1(3) . . ?
B8C B7C B11C 59.8(3) . . ?
Cl8 B8C B3C 120.8(3) . . ?
Cl8 B8C B4C 120.2(3) . . ?
Cl8 B8C B7C 122.5(3) . . ?
Cl8 B8C B9C 122.1(3) . . ?
Cl8 B8C B11C 123.9(3) . . ?
B3C B8C B7C 59.3(3) . . ?
B3C B8C B9C 107.7(4) . . ?
B3C B8C B11C 107.2(3) . . ?
B4C B8C B3C 60.3(3) . . ?
B4C B8C B7C 107.8(3) . . ?
B4C B8C B9C 59.6(3) . . ?
B4C B8C B11C 107.5(4) . . ?
B7C B8C B9C 108.1(4) . . ?
B11C B8C B7C 60.1(3) . . ?
B11C B8C B9C 59.9(3) . . ?
Cl9 B9C B4C 121.9(4) . . ?
Cl9 B9C B5C 121.7(4) . . ?
Cl9 B9C B8C 121.7(3) . . ?
Cl9 B9C B10C 122.2(3) . . ?
Cl9 B9C B11C 122.0(3) . . ?
B4C B9C B5C 60.8(3) . . ?
B4C B9C B8C 59.4(3) . . ?
B4C B9C B10C 107.9(3) . . ?
B4C B9C B11C 107.2(4) . . ?
B5C B9C B8C 108.2(3) . . ?
B5C B9C B10C 59.8(3) . . ?
B5C B9C B11C 107.6(4) . . ?
B8C B9C B10C 107.5(4) . . ?
B11C B9C B8C 59.9(3) . . ?
B11C B9C B10C 59.5(3) . . ?
Cl10 B10C B1C 120.6(3) . . ?
Cl10 B10C B5C 121.2(4) . . ?
Cl10 B10C B6C 121.3(4) . . ?
Cl10 B10C B9C 122.5(3) . . ?
Cl10 B10C B11C 122.6(4) . . ?
B1C B10C B5C 60.5(3) . . ?
B1C B10C B6C 59.8(3) . . ?
B1C B10C B9C 108.0(4) . . ?
B1C B10C B11C 108.2(4) . . ?
B5C B10C B6C 108.3(3) . . ?
B5C B10C B9C 59.4(3) . . ?
B5C B10C B11C 107.7(4) . . ?
B6C B10C B9C 108.5(4) . . ?
B11C B10C B6C 60.5(3) . . ?
B11C B10C B9C 60.1(3) . . ?
Cl11 B11C B6C 121.5(3) . . ?
Cl11 B11C B7C 122.2(3) . . ?
Cl11 B11C B8C 122.1(3) . . ?
Cl11 B11C B9C 121.3(3) . . ?
Cl11 B11C B10C 120.8(3) . . ?
B7C B11C B6C 59.9(3) . . ?
B8C B11C B6C 108.1(3) . . ?
B8C B11C B7C 60.1(3) . . ?
B8C B11C B9C 60.2(3) . . ?
B9C B11C B6C 108.2(4) . . ?
B9C B11C B7C 108.3(4) . . ?
B10C B11C B6C 59.8(3) . . ?
B10C B11C B7C 108.1(4) . . ?
B10C B11C B8C 108.5(4) . . ?
B10C B11C B9C 60.5(3) . . ?
B1D C1D H1D 117.6 . . ?
B1D C1D B2D 62.7(3) . . ?
B1D C1D B5D 63.1(3) . . ?
B2D C1D H1D 117.9 . . ?
B2D C1D B5D 115.0(4) . . ?
B3D C1D H1D 118.0 . . ?
B3D C1D B1D 114.4(4) . . ?
B3D C1D B2D 62.3(3) . . ?
B3D C1D B4D 62.8(3) . . ?
B3D C1D B5D 114.9(4) . . ?
B4D C1D H1D 117.5 . . ?
B4D C1D B1D 115.1(4) . . ?
B4D C1D B2D 114.6(4) . . ?
B4D C1D B5D 63.0(3) . . ?
B5D C1D H1D 117.3 . . ?
Cl1D B1D B2D 119.7(4) . . ?
Cl1D B1D B5D 120.6(4) . . ?
Cl1D B1D B10D 125.3(4) . . ?
C1D B1D Cl1D 121.1(4) . . ?
C1D B1D B2D 58.7(3) . . ?
C1D B1D B5D 58.5(3) . . ?
C1D B1D B6D 104.8(4) . . ?
C1D B1D B10D 104.7(4) . . ?
B2D B1D B5D 108.0(4) . . ?
B6D B1D Cl1D 124.6(4) . . ?
B6D B1D B2D 59.9(3) . . ?
B6D B1D B5D 108.7(4) . . ?
B6D B1D B10D 61.0(3) . . ?
B10D B1D B2D 108.6(4) . . ?
B10D B1D B5D 60.0(3) . . ?
Cl2D B2D B1D 119.7(4) . . ?
Cl2D B2D B3D 120.2(4) . . ?
Cl2D B2D B6D 125.2(4) . . ?
Cl2D B2D B7D 125.8(4) . . ?
C1D B2D Cl2D 120.6(4) . . ?
C1D B2D B1D 58.6(3) . . ?
C1D B2D B3D 58.8(3) . . ?
C1D B2D B6D 104.7(4) . . ?
C1D B2D B7D 104.8(4) . . ?
B3D B2D B1D 108.2(4) . . ?
B3D B2D B6D 108.6(4) . . ?
B3D B2D B7D 60.0(3) . . ?
B6D B2D B1D 59.7(3) . . ?
B6D B2D B7D 60.7(3) . . ?
B7D B2D B1D 108.2(4) . . ?
Cl3D B3D B2D 119.4(4) . . ?
Cl3D B3D B4D 120.5(4) . . ?
Cl3D B3D B7D 124.7(4) . . ?
Cl3D B3D B8D 125.4(4) . . ?
C1D B3D Cl3D 121.0(4) . . ?
C1D B3D B2D 58.9(3) . . ?
C1D B3D B4D 58.6(3) . . ?
C1D B3D B7D 105.0(4) . . ?
C1D B3D B8D 104.8(4) . . ?
B2D B3D B4D 108.4(4) . . ?
B2D B3D B7D 60.2(3) . . ?
B2D B3D B8D 108.5(4) . . ?
B7D B3D B4D 108.6(4) . . ?
B7D B3D B8D 60.4(3) . . ?
B8D B3D B4D 60.0(3) . . ?
Cl4D B4D B3D 120.0(4) . . ?
Cl4D B4D B5D 120.2(4) . . ?
Cl4D B4D B8D 125.5(4) . . ?
Cl4D B4D B9D 125.8(4) . . ?
C1D B4D Cl4D 120.8(4) . . ?
C1D B4D B3D 58.6(3) . . ?
C1D B4D B5D 58.6(3) . . ?
C1D B4D B8D 104.5(4) . . ?
C1D B4D B9D 104.3(4) . . ?
B3D B4D B5D 107.9(4) . . ?
B8D B4D B3D 59.8(3) . . ?
B8D B4D B5D 108.2(4) . . ?
B9D B4D B3D 108.0(4) . . ?
B9D B4D B5D 59.7(3) . . ?
B9D B4D B8D 60.5(3) . . ?
Cl5D B5D B1D 120.4(4) . . ?
Cl5D B5D B4D 120.6(4) . . ?
Cl5D B5D B9D 125.4(4) . . ?
Cl5D B5D B10D 125.0(4) . . ?
C1D B5D Cl5D 121.5(4) . . ?
C1D B5D B1D 58.4(3) . . ?
C1D B5D B4D 58.4(3) . . ?
C1D B5D B9D 104.3(4) . . ?
C1D B5D B10D 104.3(4) . . ?
B4D B5D B1D 107.6(4) . . ?
B9D B5D B1D 107.9(4) . . ?
B9D B5D B4D 59.7(3) . . ?
B9D B5D B10D 60.8(3) . . ?
B10D B5D B1D 59.5(3) . . ?
B10D B5D B4D 108.3(4) . . ?
Cl6D B6D B2D 121.4(4) . . ?
Cl6D B6D B7D 120.9(3) . . ?
Cl6D B6D B10D 122.6(3) . . ?
Cl6D B6D B11D 122.3(3) . . ?
B1D B6D Cl6D 122.3(3) . . ?
B1D B6D B2D 60.5(3) . . ?
B1D B6D B7D 108.1(4) . . ?
B1D B6D B10D 59.6(3) . . ?
B1D B6D B11D 107.3(4) . . ?
B2D B6D B7D 59.8(3) . . ?
B2D B6D B10D 107.9(4) . . ?
B2D B6D B11D 107.2(3) . . ?
B7D B6D B10D 107.9(4) . . ?
B7D B6D B11D 59.6(3) . . ?
B10D B6D B11D 59.8(3) . . ?
Cl7D B7D B2D 122.1(3) . . ?
Cl7D B7D B6D 121.9(3) . . ?
Cl7D B7D B8D 121.5(3) . . ?
Cl7D B7D B11D 121.9(3) . . ?
B2D B7D B6D 59.5(3) . . ?
B2D B7D B8D 107.8(4) . . ?
B2D B7D B11D 107.6(4) . . ?
B3D B7D Cl7D 122.0(3) . . ?
B3D B7D B2D 59.8(3) . . ?
B3D B7D B6D 107.5(4) . . ?
B3D B7D B8D 59.8(3) . . ?
B3D B7D B11D 107.4(4) . . ?
B8D B7D B6D 108.3(4) . . ?
B8D B7D B11D 59.9(3) . . ?
B11D B7D B6D 60.4(3) . . ?
Cl8D B8D B3D 120.4(3) . . ?
Cl8D B8D B4D 121.0(3) . . ?
Cl8D B8D B7D 121.4(3) . . ?
Cl8D B8D B9D 123.0(3) . . ?
Cl8D B8D B11D 123.4(3) . . ?
B3D B8D B4D 60.1(3) . . ?
B3D B8D B7D 59.7(3) . . ?
B3D B8D B9D 107.6(4) . . ?
B3D B8D B11D 107.5(4) . . ?
B4D B8D B7D 108.1(4) . . ?
B4D B8D B9D 59.6(3) . . ?
B4D B8D B11D 107.7(4) . . ?
B7D B8D B9D 108.1(4) . . ?
B11D B8D B7D 60.1(3) . . ?
B11D B8D B9D 60.0(3) . . ?
Cl9D B9D B8D 121.7(4) . . ?
Cl9D B9D B10D 121.6(3) . . ?
Cl9D B9D B11D 121.7(3) . . ?
B4D B9D Cl9D 121.8(4) . . ?
B4D B9D B8D 59.9(3) . . ?
B4D B9D B10D 108.2(4) . . ?
B4D B9D B11D 107.7(4) . . ?
B5D B9D Cl9D 121.6(4) . . ?
B5D B9D B4D 60.6(3) . . ?
B5D B9D B8D 108.4(4) . . ?
B5D B9D B10D 59.8(3) . . ?
B5D B9D B11D 107.9(4) . . ?
B8D B9D B10D 108.0(4) . . ?
B11D B9D B8D 59.8(3) . . ?
B11D B9D B10D 60.1(3) . . ?
Cl12 B10D B1D 120.8(4) . . ?
Cl12 B10D B5D 121.2(4) . . ?
Cl12 B10D B6D 121.7(3) . . ?
Cl12 B10D B9D 122.9(4) . . ?
Cl12 B10D B11D 123.3(3) . . ?
B1D B10D B5D 60.6(3) . . ?
B1D B10D B6D 59.4(3) . . ?
B1D B10D B9D 107.6(4) . . ?
B1D B10D B11D 107.4(4) . . ?
B5D B10D B6D 107.9(4) . . ?
B5D B10D B9D 59.4(3) . . ?
B5D B10D B11D 107.2(4) . . ?
B6D B10D B9D 107.7(4) . . ?
B11D B10D B6D 60.2(3) . . ?
B11D B10D B9D 59.6(3) . . ?
Cl13 B11D B6D 121.3(3) . . ?
Cl13 B11D B7D 122.2(3) . . ?
Cl13 B11D B8D 122.3(3) . . ?
Cl13 B11D B9D 121.4(3) . . ?
Cl13 B11D B10D 120.6(3) . . ?
B7D B11D B6D 59.9(3) . . ?
B7D B11D B10D 108.2(4) . . ?
B8D B11D B6D 108.1(3) . . ?
B8D B11D B7D 60.0(3) . . ?
B8D B11D B9D 60.2(3) . . ?
B8D B11D B10D 108.6(4) . . ?
B9D B11D B6D 108.1(4) . . ?
B9D B11D B7D 108.2(3) . . ?
B9D B11D B10D 60.3(3) . . ?
B10D B11D B6D 59.9(3) . . ?
O1 S1 N1 102.0(3) . . ?
O1 S1 C4 103.5(3) . . ?
O2 S1 O1 117.3(2) . . ?
O2 S1 N1 119.2(3) . . ?
O2 S1 C4 107.4(3) . . ?
N1 S1 C4 105.9(3) . . ?
O3 S2 O4 116.3(4) . . ?
O3 S2 N1 117.9(3) . . ?
O3 S2 C5 107.7(4) . . ?
O4 S2 N1 106.5(3) . . ?
O4 S2 C5 98.4(3) . . ?
N1 S2 C5 108.0(3) . . ?
O1 Si1 C1 100.6(2) . . ?
O1 Si1 C2 104.3(2) . . ?
O1 Si1 C3 103.1(2) . . ?
C1 Si1 C2 117.2(2) . . ?
C1 Si1 C3 114.5(3) . . ?
C3 Si1 C2 114.3(3) . . ?
O4 Si2 C6 105.2(3) . . ?
O4 Si2 C8 106.2(5) . . ?
C7 Si2 O4 99.1(3) . . ?
C7 Si2 C6 116.4(3) . . ?
C7 Si2 C8 113.2(4) . . ?
C8 Si2 C6 114.5(3) . . ?
O4A Si2 C6 107.1(11) . . ?
O4A Si2 C7 117(2) . . ?
O4A Si2 C8 84(2) . . ?
S1 O1 Si1 141.0(2) . . ?
S2 O4 Si2 138.6(3) . . ?
S2 N1 S1 123.9(4) . . ?
S2A N1 S1 148.4(10) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
F1 C4 S1 106.7(4) . . ?
F2 C4 S1 108.8(4) . . ?
F2 C4 F1 110.3(6) . . ?
F2 C4 F3 110.8(5) . . ?
F3 C4 S1 109.4(5) . . ?
F3 C4 F1 110.7(5) . . ?
F4 C5 S2 106.8(5) . . ?
F4 C5 S2A 114.5(7) . . ?
F5 C5 S2 109.8(5) . . ?
F5 C5 F4 111.6(6) . . ?
F5 C5 F6 109.8(7) . . ?
F5 C5 S2A 129.1(7) . . ?
F6 C5 S2 109.0(5) . . ?
F6 C5 F4 109.7(5) . . ?
F6 C5 S2A 73.3(8) . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1P S1P N1P 103.6(2) . . ?
O1P S1P C4P 103.8(3) . . ?
O2P S1P O1P 116.4(2) . . ?
O2P S1P N1P 118.4(3) . . ?
O2P S1P C4P 107.3(3) . . ?
N1P S1P C4P 106.0(3) . . ?
O3P S2P O4P 116.5(3) . . ?
O3P S2P N1P 118.7(3) . . ?
O3P S2P C5P 108.3(3) . . ?
O4P S2P N1P 105.5(3) . . ?
O4P S2P C5P 99.4(3) . . ?
N1P S2P C5P 106.3(3) . . ?
O1P Si1P C1P 101.4(2) . . ?
O1P Si1P C2P 104.2(2) . . ?
O1P Si1P C3P 103.6(2) . . ?
C2P Si1P C1P 116.1(3) . . ?
C3P Si1P C1P 114.6(3) . . ?
C3P Si1P C2P 114.5(3) . . ?
O4P Si2P C6P 104.8(2) . . ?
O4P Si2P C7P 101.6(2) . . ?
O4P Si2P C8P 104.0(3) . . ?
C7P Si2P C6P 114.8(3) . . ?
C8P Si2P C6P 115.2(3) . . ?
C8P Si2P C7P 114.3(4) . . ?
S1P O1P Si1P 142.3(2) . . ?
S2P O4P Si2P 140.2(3) . . ?
S2Q O4P Si2P 127.9(7) . . ?
S2P N1P S1P 123.8(3) . . ?
S2Q N1P S1P 146.9(9) . . ?
Si1P C1P H1PA 109.5 . . ?
Si1P C1P H1PB 109.5 . . ?
Si1P C1P H1PC 109.5 . . ?
H1PA C1P H1PB 109.5 . . ?
H1PA C1P H1PC 109.5 . . ?
H1PB C1P H1PC 109.5 . . ?
Si1P C2P H2PA 109.5 . . ?
Si1P C2P H2PB 109.5 . . ?
Si1P C2P H2PC 109.5 . . ?
H2PA C2P H2PB 109.5 . . ?
H2PA C2P H2PC 109.5 . . ?
H2PB C2P H2PC 109.5 . . ?
Si1P C3P H3PA 109.5 . . ?
Si1P C3P H3PB 109.5 . . ?
Si1P C3P H3PC 109.5 . . ?
H3PA C3P H3PB 109.5 . . ?
H3PA C3P H3PC 109.5 . . ?
H3PB C3P H3PC 109.5 . . ?
F1P C4P S1P 108.4(4) . . ?
F2P C4P S1P 109.6(4) . . ?
F2P C4P F1P 109.3(5) . . ?
F3P C4P S1P 110.8(4) . . ?
F3P C4P F1P 109.1(5) . . ?
F3P C4P F2P 109.6(5) . . ?
F4P C5P S2P 107.6(4) . . ?
F4P C5P F6P 109.5(5) . . ?
F4P C5P S2Q 113.1(7) . . ?
F5P C5P S2P 109.6(4) . . ?
F5P C5P F4P 110.6(5) . . ?
F5P C5P F6P 109.5(5) . . ?
F5P C5P S2Q 127.3(6) . . ?
F6P C5P S2P 110.0(4) . . ?
F6P C5P S2Q 82.1(9) . . ?
Si2P C6P H6PA 109.5 . . ?
Si2P C6P H6PB 109.5 . . ?
Si2P C6P H6PC 109.5 . . ?
H6PA C6P H6PB 109.5 . . ?
H6PA C6P H6PC 109.5 . . ?
H6PB C6P H6PC 109.5 . . ?
Si2P C7P H7PA 109.5 . . ?
Si2P C7P H7PB 109.5 . . ?
Si2P C7P H7PC 109.5 . . ?
H7PA C7P H7PB 109.5 . . ?
H7PA C7P H7PC 109.5 . . ?
H7PB C7P H7PC 109.5 . . ?
Si2P C8P H8PA 109.5 . . ?
Si2P C8P H8PB 109.5 . . ?
Si2P C8P H8PC 109.5 . . ?
H8PA C8P H8PB 109.5 . . ?
H8PA C8P H8PC 109.5 . . ?
H8PB C8P H8PC 109.5 . . ?
N1 S2A C5 124.2(17) . . ?
N1 S2A O3A 100(2) . . ?
N1 S2A O4A 122(2) . . ?
O3A S2A C5 92(3) . . ?
O3A S2A O4A 109(4) . . ?
O4A S2A C5 103(2) . . ?
O4P S2Q C5P 98.6(8) . . ?
O4P S2Q O3Q 123(2) . . ?
N1P S2Q O4P 126.0(13) . . ?
N1P S2Q C5P 129.7(11) . . ?
N1P S2Q O3Q 89(2) . . ?
O3Q S2Q C5P 84(2) . . ?
S2A O4A Si2 141(2) . . ?

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
Cl1 B1C B2C Cl2 -0.8(6) . . . . ?
Cl1 B1C B2C C1C -110.2(4) . . . . ?
Cl1 B1C B2C B3C -143.1(4) . . . . ?
Cl1 B1C B2C B6C 115.9(4) . . . . ?
Cl1 B1C B2C B7C 153.9(4) . . . . ?
Cl1 B1C B5C Cl5 -0.7(6) . . . . ?
Cl1 B1C B5C C1C 110.4(4) . . . . ?
Cl1 B1C B5C B4C 143.3(4) . . . . ?
Cl1 B1C B5C B9C -153.7(3) . . . . ?
Cl1 B1C B5C B10C -116.0(4) . . . . ?
Cl1 B1C B6C Cl6 2.2(6) . . . . ?
Cl1 B1C B6C B2C -107.7(4) . . . . ?
Cl1 B1C B6C B7C -145.1(4) . . . . ?
Cl1 B1C B6C B10C 114.3(4) . . . . ?
Cl1 B1C B6C B11C 151.5(4) . . . . ?
Cl1 B1C B10C Cl10 -3.9(6) . . . . ?
Cl1 B1C B10C B5C 107.0(4) . . . . ?
Cl1 B1C B10C B6C -114.7(5) . . . . ?
Cl1 B1C B10C B9C 144.0(4) . . . . ?
Cl1 B1C B10C B11C -152.5(4) . . . . ?
Cl2 B2C B3C Cl3 1.4(6) . . . . ?
Cl2 B2C B3C C1C -109.6(4) . . . . ?
Cl2 B2C B3C B4C -142.4(3) . . . . ?
Cl2 B2C B3C B7C 115.9(4) . . . . ?
Cl2 B2C B3C B8C 154.1(3) . . . . ?
Cl2 B2C B6C Cl6 -4.5(6) . . . . ?
Cl2 B2C B6C B1C 107.3(4) . . . . ?
Cl2 B2C B6C B7C -114.5(4) . . . . ?
Cl2 B2C B6C B10C 144.9(4) . . . . ?
Cl2 B2C B6C B11C -152.1(4) . . . . ?
Cl2 B2C B7C Cl7 4.4(6) . . . . ?
Cl2 B2C B7C B3C -106.7(4) . . . . ?
Cl2 B2C B7C B6C 115.5(5) . . . . ?
Cl2 B2C B7C B8C -144.0(4) . . . . ?
Cl2 B2C B7C B11C 153.0(4) . . . . ?
Cl3 B3C B4C Cl4 -0.4(5) . . . . ?
Cl3 B3C B4C C1C -111.0(4) . . . . ?
Cl3 B3C B4C B5C -144.2(3) . . . . ?
Cl3 B3C B4C B8C 114.4(4) . . . . ?
Cl3 B3C B4C B9C 152.7(3) . . . . ?
Cl3 B3C B7C Cl7 -2.9(6) . . . . ?
Cl3 B3C B7C B2C 108.3(4) . . . . ?
Cl3 B3C B7C B6C 145.5(4) . . . . ?
Cl3 B3C B7C B8C -113.6(4) . . . . ?
Cl3 B3C B7C B11C -151.2(3) . . . . ?
Cl3 B3C B8C Cl8 1.7(6) . . . . ?
Cl3 B3C B8C B4C -107.9(4) . . . . ?
Cl3 B3C B8C B7C 113.7(4) . . . . ?
Cl3 B3C B8C B9C -145.4(4) . . . . ?
Cl3 B3C B8C B11C 151.5(4) . . . . ?
Cl4 B4C B5C Cl5 1.1(5) . . . . ?
Cl4 B4C B5C C1C -109.5(4) . . . . ?
Cl4 B4C B5C B1C -142.6(3) . . . . ?
Cl4 B4C B5C B9C 115.9(4) . . . . ?
Cl4 B4C B5C B10C 154.5(3) . . . . ?
Cl4 B4C B8C Cl8 -3.7(6) . . . . ?
Cl4 B4C B8C B3C 106.7(4) . . . . ?
Cl4 B4C B8C B7C 143.5(4) . . . . ?
Cl4 B4C B8C B9C -115.5(4) . . . . ?
Cl4 B4C B8C B11C -153.1(3) . . . . ?
Cl4 B4C B9C Cl9 2.6(6) . . . . ?
Cl4 B4C B9C B5C -108.6(4) . . . . ?
Cl4 B4C B9C B8C 113.1(4) . . . . ?
Cl4 B4C B9C B10C -146.7(4) . . . . ?
Cl4 B4C B9C B11C 150.6(4) . . . . ?
Cl5 B5C B9C Cl9 -3.0(6) . . . . ?
Cl5 B5C B9C B4C 108.5(4) . . . . ?
Cl5 B5C B9C B8C 145.5(4) . . . . ?
Cl5 B5C B9C B10C -114.4(4) . . . . ?
Cl5 B5C B9C B11C -151.2(4) . . . . ?
Cl5 B5C B10C Cl10 2.2(6) . . . . ?
Cl5 B5C B10C B1C -107.7(4) . . . . ?
Cl5 B5C B10C B6C -145.0(4) . . . . ?
Cl5 B5C B10C B9C 113.9(4) . . . . ?
Cl5 B5C B10C B11C 151.0(4) . . . . ?
Cl6 B6C B7C Cl7 0.5(5) . . . . ?
Cl6 B6C B7C B2C -110.1(4) . . . . ?
Cl6 B6C B7C B3C -147.9(3) . . . . ?
Cl6 B6C B7C B8C 149.2(3) . . . . ?
Cl6 B6C B7C B11C 112.1(4) . . . . ?
Cl6 B6C B10C Cl10 1.2(6) . . . . ?
Cl6 B6C B10C B1C 110.8(4) . . . . ?
Cl6 B6C B10C B5C 148.4(4) . . . . ?
Cl6 B6C B10C B9C -148.7(4) . . . . ?
Cl6 B6C B10C B11C -111.2(4) . . . . ?
Cl6 B6C B11C Cl11 2.1(6) . . . . ?
Cl6 B6C B11C B7C -109.5(4) . . . . ?
Cl6 B6C B11C B8C -146.8(4) . . . . ?
Cl6 B6C B11C B9C 149.5(4) . . . . ?
Cl6 B6C B11C B10C 111.9(4) . . . . ?
Cl7 B7C B8C Cl8 -1.7(6) . . . . ?
Cl7 B7C B8C B3C -110.8(4) . . . . ?
Cl7 B7C B8C B4C -148.0(3) . . . . ?
Cl7 B7C B8C B9C 148.9(3) . . . . ?
Cl7 B7C B8C B11C 111.7(4) . . . . ?
Cl7 B7C B11C Cl11 0.7(6) . . . . ?
Cl7 B7C B11C B6C 111.2(4) . . . . ?
Cl7 B7C B11C B8C -110.5(4) . . . . ?
Cl7 B7C B11C B9C -147.9(4) . . . . ?
Cl7 B7C B11C B10C 148.1(4) . . . . ?
Cl8 B8C B9C Cl9 2.2(6) . . . . ?
Cl8 B8C B9C B4C -108.7(4) . . . . ?
Cl8 B8C B9C B5C -146.4(4) . . . . ?
Cl8 B8C B9C B10C 150.4(3) . . . . ?
Cl8 B8C B9C B11C 113.4(4) . . . . ?
Cl8 B8C B11C Cl11 -0.2(6) . . . . ?
Cl8 B8C B11C B6C 148.4(4) . . . . ?
Cl8 B8C B11C B7C 111.2(4) . . . . ?
Cl8 B8C B11C B9C -110.5(4) . . . . ?
Cl8 B8C B11C B10C -148.2(4) . . . . ?
Cl9 B9C B10C Cl10 -0.9(6) . . . . ?
Cl9 B9C B10C B1C -148.1(4) . . . . ?
Cl9 B9C B10C B5C -110.6(4) . . . . ?
Cl9 B9C B10C B6C 148.6(4) . . . . ?
Cl9 B9C B10C B11C 110.9(4) . . . . ?
Cl9 B9C B11C Cl11 -1.0(6) . . . . ?
Cl9 B9C B11C B6C -148.5(4) . . . . ?
Cl9 B9C B11C B7C 148.0(4) . . . . ?
Cl9 B9C B11C B8C 110.6(4) . . . . ?
Cl9 B9C B11C B10C -111.2(4) . . . . ?
Cl10 B10C B11C Cl11 0.6(6) . . . . ?
Cl10 B10C B11C B6C -110.3(4) . . . . ?
Cl10 B10C B11C B7C -147.2(4) . . . . ?
Cl10 B10C B11C B8C 149.1(4) . . . . ?
Cl10 B10C B11C B9C 111.5(4) . . . . ?
C1C B1C B2C Cl2 109.4(4) . . . . ?
C1C B1C B2C B3C -32.9(3) . . . . ?
C1C B1C B2C B6C -133.9(4) . . . . ?
C1C B1C B2C B7C -95.9(4) . . . . ?
C1C B1C B5C Cl5 -111.1(4) . . . . ?
C1C B1C B5C B4C 32.9(3) . . . . ?
C1C B1C B5C B9C 95.9(4) . . . . ?
C1C B1C B5C B10C 133.6(4) . . . . ?
C1C B1C B6C Cl6 149.5(3) . . . . ?
C1C B1C B6C B2C 39.6(3) . . . . ?
C1C B1C B6C B7C 2.2(4) . . . . ?
C1C B1C B6C B10C -98.4(4) . . . . ?
C1C B1C B6C B11C -61.2(4) . . . . ?
C1C B1C B10C Cl10 -150.6(4) . . . . ?
C1C B1C B10C B5C -39.6(3) . . . . ?
C1C B1C B10C B6C 98.7(4) . . . . ?
C1C B1C B10C B9C -2.7(5) . . . . ?
C1C B1C B10C B11C 60.8(4) . . . . ?
C1C B2C B3C Cl3 111.0(4) . . . . ?
C1C B2C B3C B4C -32.8(3) . . . . ?
C1C B2C B3C B7C -134.5(3) . . . . ?
C1C B2C B3C B8C -96.4(4) . . . . ?
C1C B2C B6C Cl6 -151.4(3) . . . . ?
C1C B2C B6C B1C -39.5(3) . . . . ?
C1C B2C B6C B7C 98.7(4) . . . . ?
C1C B2C B6C B10C -2.0(5) . . . . ?
C1C B2C B6C B11C 61.1(4) . . . . ?
C1C B2C B7C Cl7 150.0(3) . . . . ?
C1C B2C B7C B3C 38.9(3) . . . . ?
C1C B2C B7C B6C -98.9(4) . . . . ?
C1C B2C B7C B8C 1.7(4) . . . . ?
C1C B2C B7C B11C -61.3(4) . . . . ?
C1C B3C B4C Cl4 110.5(4) . . . . ?
C1C B3C B4C B5C -33.3(3) . . . . ?
C1C B3C B4C B8C -134.6(4) . . . . ?
C1C B3C B4C B9C -96.3(4) . . . . ?
C1C B3C B7C Cl7 -150.5(3) . . . . ?
C1C B3C B7C B2C -39.3(3) . . . . ?
C1C B3C B7C B6C -2.0(4) . . . . ?
C1C B3C B7C B8C 98.8(4) . . . . ?
C1C B3C B7C B11C 61.2(4) . . . . ?
C1C B3C B8C Cl8 148.5(3) . . . . ?
C1C B3C B8C B4C 39.0(3) . . . . ?
C1C B3C B8C B7C -99.5(4) . . . . ?
C1C B3C B8C B9C 1.4(5) . . . . ?
C1C B3C B8C B11C -61.7(4) . . . . ?
C1C B4C B5C Cl5 110.7(4) . . . . ?
C1C B4C B5C B1C -33.0(3) . . . . ?
C1C B4C B5C B9C -134.6(4) . . . . ?
C1C B4C B5C B10C -96.0(4) . . . . ?
C1C B4C B8C Cl8 -149.6(3) . . . . ?
C1C B4C B8C B3C -39.1(3) . . . . ?
C1C B4C B8C B7C -2.3(4) . . . . ?
C1C B4C B8C B9C 98.6(4) . . . . ?
C1C B4C B8C B11C 61.1(4) . . . . ?
C1C B4C B9C Cl9 150.2(4) . . . . ?
C1C B4C B9C B5C 38.9(3) . . . . ?
C1C B4C B9C B8C -99.3(4) . . . . ?
C1C B4C B9C B10C 0.8(5) . . . . ?
C1C B4C B9C B11C -61.9(4) . . . . ?
C1C B5C B9C Cl9 -150.2(4) . . . . ?
C1C B5C B9C B4C -38.7(3) . . . . ?
C1C B5C B9C B8C -1.6(5) . . . . ?
C1C B5C B9C B10C 98.4(4) . . . . ?
C1C B5C B9C B11C 61.6(4) . . . . ?
C1C B5C B10C Cl10 149.5(3) . . . . ?
C1C B5C B10C B1C 39.7(3) . . . . ?
C1C B5C B10C B6C 2.4(5) . . . . ?
C1C B5C B10C B9C -98.7(4) . . . . ?
C1C B5C B10C B11C -61.6(4) . . . . ?
B1C C1C B2C Cl2 -108.9(4) . . . . ?
B1C C1C B2C B3C 142.7(4) . . . . ?
B1C C1C B2C B6C 40.1(3) . . . . ?
B1C C1C B2C B7C 103.3(4) . . . . ?
B1C C1C B3C Cl3 -144.9(3) . . . . ?
B1C C1C B3C B2C -36.2(3) . . . . ?
B1C C1C B3C B4C 106.8(4) . . . . ?
B1C C1C B3C B7C 3.7(5) . . . . ?
B1C C1C B3C B8C 67.2(4) . . . . ?
B1C C1C B4C Cl4 146.8(3) . . . . ?
B1C C1C B4C B3C -105.6(4) . . . . ?
B1C C1C B4C B5C 36.7(4) . . . . ?
B1C C1C B4C B8C -66.0(4) . . . . ?
B1C C1C B4C B9C -2.7(5) . . . . ?
B1C C1C B5C Cl5 108.5(4) . . . . ?
B1C C1C B5C B4C -142.5(4) . . . . ?
B1C C1C B5C B9C -103.1(4) . . . . ?
B1C C1C B5C B10C -40.2(3) . . . . ?
B1C B2C B3C Cl3 144.0(4) . . . . ?
B1C B2C B3C C1C 32.9(3) . . . . ?
B1C B2C B3C B4C 0.1(5) . . . . ?
B1C B2C B3C B7C -101.5(4) . . . . ?
B1C B2C B3C B8C -63.4(5) . . . . ?
B1C B2C B6C Cl6 -111.9(4) . . . . ?
B1C B2C B6C B7C 138.1(4) . . . . ?
B1C B2C B6C B10C 37.5(3) . . . . ?
B1C B2C B6C B11C 100.5(4) . . . . ?
B1C B2C B7C Cl7 -148.7(4) . . . . ?
B1C B2C B7C B3C 100.2(4) . . . . ?
B1C B2C B7C B6C -37.6(3) . . . . ?
B1C B2C B7C B8C 63.0(5) . . . . ?
B1C B2C B7C B11C 0.0(5) . . . . ?
B1C B5C B9C Cl9 148.6(4) . . . . ?
B1C B5C B9C B4C -99.9(4) . . . . ?
B1C B5C B9C B8C -62.8(5) . . . . ?
B1C B5C B9C B10C 37.2(3) . . . . ?
B1C B5C B9C B11C 0.4(5) . . . . ?
B1C B5C B10C Cl10 109.9(4) . . . . ?
B1C B5C B10C B6C -37.3(3) . . . . ?
B1C B5C B10C B9C -138.4(4) . . . . ?
B1C B5C B10C B11C -101.3(4) . . . . ?
B1C B6C B7C Cl7 148.2(3) . . . . ?
B1C B6C B7C B2C 37.7(3) . . . . ?
B1C B6C B7C B3C -0.1(5) . . . . ?
B1C B6C B7C B8C -63.0(4) . . . . ?
B1C B6C B7C B11C -100.1(4) . . . . ?
B1C B6C B10C Cl10 -109.6(4) . . . . ?
B1C B6C B10C B5C 37.6(4) . . . . ?
B1C B6C B10C B9C 100.5(4) . . . . ?
B1C B6C B10C B11C 138.0(4) . . . . ?
B1C B6C B11C Cl11 -147.2(3) . . . . ?
B1C B6C B11C B7C 101.3(4) . . . . ?
B1C B6C B11C B8C 64.0(4) . . . . ?
B1C B6C B11C B9C 0.3(5) . . . . ?
B1C B6C B11C B10C -37.3(3) . . . . ?
B1C B10C B11C Cl11 148.4(4) . . . . ?
B1C B10C B11C B6C 37.5(3) . . . . ?
B1C B10C B11C B7C 0.5(5) . . . . ?
B1C B10C B11C B8C -63.1(5) . . . . ?
B1C B10C B11C B9C -100.7(4) . . . . ?
B2C C1C B1C Cl1 109.2(4) . . . . ?
B2C C1C B1C B5C -142.7(4) . . . . ?
B2C C1C B1C B6C -39.9(3) . . . . ?
B2C C1C B1C B10C -102.4(4) . . . . ?
B2C C1C B3C Cl3 -108.7(4) . . . . ?
B2C C1C B3C B4C 143.0(4) . . . . ?
B2C C1C B3C B7C 39.9(3) . . . . ?
B2C C1C B3C B8C 103.4(4) . . . . ?
B2C C1C B4C Cl4 -143.5(4) . . . . ?
B2C C1C B4C B3C -35.9(3) . . . . ?
B2C C1C B4C B5C 106.4(4) . . . . ?
B2C C1C B4C B8C 3.7(5) . . . . ?
B2C C1C B4C B9C 67.0(4) . . . . ?
B2C C1C B5C Cl5 144.8(4) . . . . ?
B2C C1C B5C B1C 36.3(4) . . . . ?
B2C C1C B5C B4C -106.2(4) . . . . ?
B2C C1C B5C B9C -66.9(4) . . . . ?
B2C C1C B5C B10C -3.9(5) . . . . ?
B2C B1C B5C Cl5 -144.2(4) . . . . ?
B2C B1C B5C C1C -33.1(3) . . . . ?
B2C B1C B5C B4C -0.2(5) . . . . ?
B2C B1C B5C B9C 62.7(5) . . . . ?
B2C B1C B5C B10C 100.4(4) . . . . ?
B2C B1C B6C Cl6 109.9(4) . . . . ?
B2C B1C B6C B7C -37.4(3) . . . . ?
B2C B1C B6C B10C -138.0(4) . . . . ?
B2C B1C B6C B11C -100.7(4) . . . . ?
B2C B1C B10C Cl10 148.0(4) . . . . ?
B2C B1C B10C B5C -101.0(4) . . . . ?
B2C B1C B10C B6C 37.3(3) . . . . ?
B2C B1C B10C B9C -64.1(5) . . . . ?
B2C B1C B10C B11C -0.6(5) . . . . ?
B2C B3C B4C Cl4 143.5(3) . . . . ?
B2C B3C B4C C1C 33.0(3) . . . . ?
B2C B3C B4C B5C -0.3(5) . . . . ?
B2C B3C B4C B8C -101.6(4) . . . . ?
B2C B3C B4C B9C -63.4(4) . . . . ?
B2C B3C B7C Cl7 -111.2(4) . . . . ?
B2C B3C B7C B6C 37.3(3) . . . . ?
B2C B3C B7C B8C 138.2(4) . . . . ?
B2C B3C B7C B11C 100.5(4) . . . . ?
B2C B3C B8C Cl8 -149.7(3) . . . . ?
B2C B3C B8C B4C 100.8(4) . . . . ?
B2C B3C B8C B7C -37.7(3) . . . . ?
B2C B3C B8C B9C 63.3(4) . . . . ?
B2C B3C B8C B11C 0.1(5) . . . . ?
B2C B6C B7C Cl7 110.5(4) . . . . ?
B2C B6C B7C B3C -37.8(3) . . . . ?
B2C B6C B7C B8C -100.7(4) . . . . ?
B2C B6C B7C B11C -137.8(4) . . . . ?
B2C B6C B10C Cl10 -147.4(4) . . . . ?
B2C B6C B10C B1C -37.8(3) . . . . ?
B2C B6C B10C B5C -0.3(5) . . . . ?
B2C B6C B10C B9C 62.7(5) . . . . ?
B2C B6C B10C B11C 100.2(4) . . . . ?
B2C B6C B11C Cl11 149.0(3) . . . . ?
B2C B6C B11C B7C 37.5(3) . . . . ?
B2C B6C B11C B8C 0.2(5) . . . . ?
B2C B6C B11C B9C -63.5(4) . . . . ?
B2C B6C B11C B10C -101.2(4) . . . . ?
B2C B7C B8C Cl8 146.7(3) . . . . ?
B2C B7C B8C B3C 37.6(3) . . . . ?
B2C B7C B8C B4C 0.4(5) . . . . ?
B2C B7C B8C B9C -62.7(4) . . . . ?
B2C B7C B8C B11C -99.9(4) . . . . ?
B2C B7C B11C Cl11 -147.7(4) . . . . ?
B2C B7C B11C B6C -37.2(3) . . . . ?
B2C B7C B11C B8C 101.1(4) . . . . ?
B2C B7C B11C B9C 63.7(5) . . . . ?
B2C B7C B11C B10C -0.3(5) . . . . ?
B3C C1C B1C Cl1 145.3(3) . . . . ?
B3C C1C B1C B2C 36.1(3) . . . . ?
B3C C1C B1C B5C -106.5(4) . . . . ?
B3C C1C B1C B6C -3.7(5) . . . . ?
B3C C1C B1C B10C -66.2(4) . . . . ?
B3C C1C B2C Cl2 108.4(4) . . . . ?
B3C C1C B2C B1C -142.7(4) . . . . ?
B3C C1C B2C B6C -102.5(4) . . . . ?
B3C C1C B2C B7C -39.4(3) . . . . ?
B3C C1C B4C Cl4 -107.6(4) . . . . ?
B3C C1C B4C B5C 142.3(4) . . . . ?
B3C C1C B4C B8C 39.6(3) . . . . ?
B3C C1C B4C B9C 102.9(4) . . . . ?
B3C C1C B5C Cl5 -145.6(4) . . . . ?
B3C C1C B5C B1C 105.9(4) . . . . ?
B3C C1C B5C B4C -36.6(4) . . . . ?
B3C C1C B5C B9C 2.7(5) . . . . ?
B3C C1C B5C B10C 65.7(4) . . . . ?
B3C B2C B6C Cl6 147.5(4) . . . . ?
B3C B2C B6C B1C -100.7(4) . . . . ?
B3C B2C B6C B7C 37.5(3) . . . . ?
B3C B2C B6C B10C -63.1(5) . . . . ?
B3C B2C B6C B11C -0.1(5) . . . . ?
B3C B2C B7C Cl7 111.1(4) . . . . ?
B3C B2C B7C B6C -137.8(4) . . . . ?
B3C B2C B7C B8C -37.2(3) . . . . ?
B3C B2C B7C B11C -100.3(4) . . . . ?
B3C B4C B5C Cl5 144.0(3) . . . . ?
B3C B4C B5C C1C 33.3(3) . . . . ?
B3C B4C B5C B1C 0.3(5) . . . . ?
B3C B4C B5C B9C -101.2(4) . . . . ?
B3C B4C B5C B10C -62.6(4) . . . . ?
B3C B4C B8C Cl8 -110.4(4) . . . . ?
B3C B4C B8C B7C 36.8(3) . . . . ?
B3C B4C B8C B9C 137.8(4) . . . . ?
B3C B4C B8C B11C 100.2(4) . . . . ?
B3C B4C B9C Cl9 -148.3(4) . . . . ?
B3C B4C B9C B5C 100.5(4) . . . . ?
B3C B4C B9C B8C -37.8(3) . . . . ?
B3C B4C B9C B10C 62.3(5) . . . . ?
B3C B4C B9C B11C -0.4(5) . . . . ?
B3C B7C B8C Cl8 109.1(4) . . . . ?
B3C B7C B8C B4C -37.2(3) . . . . ?
B3C B7C B8C B9C -100.3(4) . . . . ?
B3C B7C B8C B11C -137.6(4) . . . . ?
B3C B7C B11C Cl11 148.7(4) . . . . ?
B3C B7C B11C B6C -100.8(4) . . . . ?
B3C B7C B11C B8C 37.5(3) . . . . ?
B3C B7C B11C B9C 0.1(5) . . . . ?
B3C B7C B11C B10C -63.9(4) . . . . ?
B3C B8C B9C Cl9 148.7(4) . . . . ?
B3C B8C B9C B4C 37.8(3) . . . . ?
B3C B8C B9C B5C 0.1(5) . . . . ?
B3C B8C B9C B10C -63.0(4) . . . . ?
B3C B8C B9C B11C -100.0(4) . . . . ?
B3C B8C B11C Cl11 -148.8(3) . . . . ?
B3C B8C B11C B6C -0.2(5) . . . . ?
B3C B8C B11C B7C -37.4(3) . . . . ?
B3C B8C B11C B9C 100.9(4) . . . . ?
B3C B8C B11C B10C 63.2(4) . . . . ?
B4C C1C B1C Cl1 -145.0(4) . . . . ?
B4C C1C B1C B2C 105.8(4) . . . . ?
B4C C1C B1C B5C -36.9(4) . . . . ?
B4C C1C B1C B6C 65.9(4) . . . . ?
B4C C1C B1C B10C 3.4(5) . . . . ?
B4C C1C B2C Cl2 144.3(3) . . . . ?
B4C C1C B2C B1C -106.7(4) . . . . ?
B4C C1C B2C B3C 36.0(3) . . . . ?
B4C C1C B2C B6C -66.6(4) . . . . ?
B4C C1C B2C B7C -3.4(5) . . . . ?
B4C C1C B3C Cl3 108.3(4) . . . . ?
B4C C1C B3C B2C -143.0(4) . . . . ?
B4C C1C B3C B7C -103.1(4) . . . . ?
B4C C1C B3C B8C -39.6(3) . . . . ?
B4C C1C B5C Cl5 -109.0(4) . . . . ?
B4C C1C B5C B1C 142.5(4) . . . . ?
B4C C1C B5C B9C 39.4(3) . . . . ?
B4C C1C B5C B10C 102.3(4) . . . . ?
B4C B3C B7C Cl7 147.9(3) . . . . ?
B4C B3C B7C B2C -100.9(4) . . . . ?
B4C B3C B7C B6C -63.6(4) . . . . ?
B4C B3C B7C B8C 37.3(3) . . . . ?
B4C B3C B7C B11C -0.3(5) . . . . ?
B4C B3C B8C Cl8 109.5(4) . . . . ?
B4C B3C B8C B7C -138.5(4) . . . . ?
B4C B3C B8C B9C -37.5(3) . . . . ?
B4C B3C B8C B11C -100.7(4) . . . . ?
B4C B5C B9C Cl9 -111.5(4) . . . . ?
B4C B5C B9C B8C 37.1(3) . . . . ?
B4C B5C B9C B10C 137.1(4) . . . . ?
B4C B5C B9C B11C 100.3(4) . . . . ?
B4C B5C B10C Cl10 -149.8(3) . . . . ?
B4C B5C B10C B1C 100.3(4) . . . . ?
B4C B5C B10C B6C 63.1(4) . . . . ?
B4C B5C B10C B9C -38.0(3) . . . . ?
B4C B5C B10C B11C -1.0(5) . . . . ?
B4C B8C B9C Cl9 110.9(4) . . . . ?
B4C B8C B9C B5C -37.7(3) . . . . ?
B4C B8C B9C B10C -100.8(4) . . . . ?
B4C B8C B9C B11C -137.8(4) . . . . ?
B4C B8C B11C Cl11 147.7(3) . . . . ?
B4C B8C B11C B6C -63.7(4) . . . . ?
B4C B8C B11C B7C -100.9(4) . . . . ?
B4C B8C B11C B9C 37.4(3) . . . . ?
B4C B8C B11C B10C -0.3(5) . . . . ?
B4C B9C B10C Cl10 148.4(4) . . . . ?
B4C B9C B10C B1C 1.2(5) . . . . ?
B4C B9C B10C B5C 38.6(3) . . . . ?
B4C B9C B10C B6C -62.1(5) . . . . ?
B4C B9C B10C B11C -99.8(4) . . . . ?
B4C B9C B11C Cl11 -148.8(3) . . . . ?
B4C B9C B11C B6C 63.7(4) . . . . ?
B4C B9C B11C B7C 0.2(5) . . . . ?
B4C B9C B11C B8C -37.2(3) . . . . ?
B4C B9C B11C B10C 101.0(4) . . . . ?
B5C C1C B1C Cl1 -108.1(4) . . . . ?
B5C C1C B1C B2C 142.7(4) . . . . ?
B5C C1C B1C B6C 102.8(4) . . . . ?
B5C C1C B1C B10C 40.3(3) . . . . ?
B5C C1C B2C Cl2 -145.4(4) . . . . ?
B5C C1C B2C B1C -36.4(4) . . . . ?
B5C C1C B2C B3C 106.3(4) . . . . ?
B5C C1C B2C B6C 3.7(5) . . . . ?
B5C C1C B2C B7C 66.9(4) . . . . ?
B5C C1C B3C Cl3 145.2(4) . . . . ?
B5C C1C B3C B2C -106.1(4) . . . . ?
B5C C1C B3C B4C 36.9(4) . . . . ?
B5C C1C B3C B7C -66.2(4) . . . . ?
B5C C1C B3C B8C -2.7(5) . . . . ?
B5C C1C B4C Cl4 110.1(4) . . . . ?
B5C C1C B4C B3C -142.3(4) . . . . ?
B5C C1C B4C B8C -102.7(4) . . . . ?
B5C C1C B4C B9C -39.4(3) . . . . ?
B5C B1C B2C Cl2 142.4(4) . . . . ?
B5C B1C B2C C1C 33.0(3) . . . . ?
B5C B1C B2C B3C 0.1(5) . . . . ?
B5C B1C B2C B6C -100.9(4) . . . . ?
B5C B1C B2C B7C -62.9(5) . . . . ?
B5C B1C B6C Cl6 -149.4(3) . . . . ?
B5C B1C B6C B2C 100.7(4) . . . . ?
B5C B1C B6C B7C 63.3(4) . . . . ?
B5C B1C B6C B10C -37.3(3) . . . . ?
B5C B1C B6C B11C 0.0(5) . . . . ?
B5C B1C B10C Cl10 -111.0(4) . . . . ?
B5C B1C B10C B6C 138.3(4) . . . . ?
B5C B1C B10C B9C 37.0(4) . . . . ?
B5C B1C B10C B11C 100.5(4) . . . . ?
B5C B4C B8C Cl8 149.0(3) . . . . ?
B5C B4C B8C B3C -100.5(4) . . . . ?
B5C B4C B8C B7C -63.7(4) . . . . ?
B5C B4C B8C B9C 37.2(3) . . . . ?
B5C B4C B8C B11C -0.3(5) . . . . ?
B5C B4C B9C Cl9 111.2(4) . . . . ?
B5C B4C B9C B8C -138.3(4) . . . . ?
B5C B4C B9C B10C -38.2(3) . . . . ?
B5C B4C B9C B11C -100.9(4) . . . . ?
B5C B9C B10C Cl10 109.8(4) . . . . ?
B5C B9C B10C B1C -37.4(4) . . . . ?
B5C B9C B10C B6C -100.8(4) . . . . ?
B5C B9C B10C B11C -138.5(4) . . . . ?
B5C B9C B11C Cl11 147.1(3) . . . . ?
B5C B9C B11C B6C -0.4(5) . . . . ?
B5C B9C B11C B7C -63.9(4) . . . . ?
B5C B9C B11C B8C -101.3(4) . . . . ?
B5C B9C B11C B10C 36.9(3) . . . . ?
B5C B10C B11C Cl11 -147.7(3) . . . . ?
B5C B10C B11C B6C 101.4(4) . . . . ?
B5C B10C B11C B7C 64.5(4) . . . . ?
B5C B10C B11C B8C 0.8(5) . . . . ?
B5C B10C B11C B9C -36.8(3) . . . . ?
B6C B1C B2C Cl2 -116.7(4) . . . . ?
B6C B1C B2C C1C 133.9(4) . . . . ?
B6C B1C B2C B3C 101.0(4) . . . . ?
B6C B1C B2C B7C 38.0(3) . . . . ?
B6C B1C B5C Cl5 152.9(3) . . . . ?
B6C B1C B5C C1C -96.1(4) . . . . ?
B6C B1C B5C B4C -63.2(4) . . . . ?
B6C B1C B5C B9C -0.2(5) . . . . ?
B6C B1C B5C B10C 37.5(3) . . . . ?
B6C B1C B10C Cl10 110.7(4) . . . . ?
B6C B1C B10C B5C -138.3(4) . . . . ?
B6C B1C B10C B9C -101.4(4) . . . . ?
B6C B1C B10C B11C -37.8(4) . . . . ?
B6C B2C B3C Cl3 -152.6(3) . . . . ?
B6C B2C B3C C1C 96.4(4) . . . . ?
B6C B2C B3C B4C 63.5(4) . . . . ?
B6C B2C B3C B7C -38.1(3) . . . . ?
B6C B2C B3C B8C 0.0(5) . . . . ?
B6C B2C B7C Cl7 -111.1(4) . . . . ?
B6C B2C B7C B3C 137.8(4) . . . . ?
B6C B2C B7C B8C 100.6(4) . . . . ?
B6C B2C B7C B11C 37.5(3) . . . . ?
B6C B7C B8C Cl8 -150.6(3) . . . . ?
B6C B7C B8C B3C 100.3(4) . . . . ?
B6C B7C B8C B4C 63.1(4) . . . . ?
B6C B7C B8C B9C 0.0(5) . . . . ?
B6C B7C B8C B11C -37.2(3) . . . . ?
B6C B7C B11C Cl11 -110.4(4) . . . . ?
B6C B7C B11C B8C 138.4(4) . . . . ?
B6C B7C B11C B9C 100.9(4) . . . . ?
B6C B7C B11C B10C 36.9(3) . . . . ?
B6C B10C B11C Cl11 110.9(4) . . . . ?
B6C B10C B11C B7C -37.0(3) . . . . ?
B6C B10C B11C B8C -100.6(4) . . . . ?
B6C B10C B11C B9C -138.2(4) . . . . ?
B7C B2C B3C Cl3 -114.5(4) . . . . ?
B7C B2C B3C C1C 134.5(3) . . . . ?
B7C B2C B3C B4C 101.7(4) . . . . ?
B7C B2C B3C B8C 38.1(3) . . . . ?
B7C B2C B6C Cl6 110.0(4) . . . . ?
B7C B2C B6C B1C -138.1(4) . . . . ?
B7C B2C B6C B10C -100.6(4) . . . . ?
B7C B2C B6C B11C -37.6(3) . . . . ?
B7C B3C B4C Cl4 -152.7(3) . . . . ?
B7C B3C B4C C1C 96.8(4) . . . . ?
B7C B3C B4C B5C 63.5(4) . . . . ?
B7C B3C B4C B8C -37.8(3) . . . . ?
B7C B3C B4C B9C 0.4(5) . . . . ?
B7C B3C B8C Cl8 -112.0(4) . . . . ?
B7C B3C B8C B4C 138.5(4) . . . . ?
B7C B3C B8C B9C 100.9(4) . . . . ?
B7C B3C B8C B11C 37.8(3) . . . . ?
B7C B6C B10C Cl10 149.4(4) . . . . ?
B7C B6C B10C B1C -101.0(4) . . . . ?
B7C B6C B10C B5C -63.5(4) . . . . ?
B7C B6C B10C B9C -0.5(5) . . . . ?
B7C B6C B10C B11C 37.0(3) . . . . ?
B7C B6C B11C Cl11 111.5(4) . . . . ?
B7C B6C B11C B8C -37.3(3) . . . . ?
B7C B6C B11C B9C -101.0(4) . . . . ?
B7C B6C B11C B10C -138.7(4) . . . . ?
B7C B8C B9C Cl9 -148.6(4) . . . . ?
B7C B8C B9C B4C 100.5(4) . . . . ?
B7C B8C B9C B5C 62.8(5) . . . . ?
B7C B8C B9C B10C -0.4(5) . . . . ?
B7C B8C B9C B11C -37.4(3) . . . . ?
B7C B8C B11C Cl11 -111.4(4) . . . . ?
B7C B8C B11C B6C 37.2(3) . . . . ?
B7C B8C B11C B9C 138.3(4) . . . . ?
B7C B8C B11C B10C 100.6(4) . . . . ?
B8C B3C B4C Cl4 -114.9(4) . . . . ?
B8C B3C B4C C1C 134.6(4) . . . . ?
B8C B3C B4C B5C 101.4(4) . . . . ?
B8C B3C B4C B9C 38.3(3) . . . . ?
B8C B3C B7C Cl7 110.6(4) . . . . ?
B8C B3C B7C B2C -138.2(4) . . . . ?
B8C B3C B7C B6C -100.9(4) . . . . ?
B8C B3C B7C B11C -37.6(3) . . . . ?
B8C B4C B5C Cl5 -152.6(3) . . . . ?
B8C B4C B5C C1C 96.7(4) . . . . ?
B8C B4C B5C B1C 63.7(4) . . . . ?
B8C B4C B5C B9C -37.8(3) . . . . ?
B8C B4C B5C B10C 0.8(5) . . . . ?
B8C B4C B9C Cl9 -110.5(4) . . . . ?
B8C B4C B9C B5C 138.3(4) . . . . ?
B8C B4C B9C B10C 100.1(4) . . . . ?
B8C B4C B9C B11C 37.4(3) . . . . ?
B8C B7C B11C Cl11 111.2(4) . . . . ?
B8C B7C B11C B6C -138.4(4) . . . . ?
B8C B7C B11C B9C -37.4(3) . . . . ?
B8C B7C B11C B10C -101.4(4) . . . . ?
B8C B9C B10C Cl10 -148.9(4) . . . . ?
B8C B9C B10C B1C 63.9(5) . . . . ?
B8C B9C B10C B5C 101.3(4) . . . . ?
B8C B9C B10C B6C 0.6(5) . . . . ?
B8C B9C B10C B11C -37.2(3) . . . . ?
B8C B9C B11C Cl11 -111.6(4) . . . . ?
B8C B9C B11C B6C 100.9(4) . . . . ?
B8C B9C B11C B7C 37.4(3) . . . . ?
B8C B9C B11C B10C 138.2(4) . . . . ?
B9C B4C B5C Cl5 -114.8(4) . . . . ?
B9C B4C B5C C1C 134.6(4) . . . . ?
B9C B4C B5C B1C 101.5(4) . . . . ?
B9C B4C B5C B10C 38.6(3) . . . . ?
B9C B4C B8C Cl8 111.8(4) . . . . ?
B9C B4C B8C B3C -137.8(4) . . . . ?
B9C B4C B8C B7C -101.0(4) . . . . ?
B9C B4C B8C B11C -37.5(3) . . . . ?
B9C B5C B10C Cl10 -111.7(4) . . . . ?
B9C B5C B10C B1C 138.4(4) . . . . ?
B9C B5C B10C B6C 101.1(4) . . . . ?
B9C B5C B10C B11C 37.1(3) . . . . ?
B9C B8C B11C Cl11 110.3(4) . . . . ?
B9C B8C B11C B6C -101.1(4) . . . . ?
B9C B8C B11C B7C -138.3(4) . . . . ?
B9C B8C B11C B10C -37.7(3) . . . . ?
B9C B10C B11C Cl11 -110.9(4) . . . . ?
B9C B10C B11C B6C 138.2(4) . . . . ?
B9C B10C B11C B7C 101.2(4) . . . . ?
B9C B10C B11C B8C 37.6(3) . . . . ?
B10C B1C B2C Cl2 -154.3(4) . . . . ?
B10C B1C B2C C1C 96.3(4) . . . . ?
B10C B1C B2C B3C 63.3(5) . . . . ?
B10C B1C B2C B6C -37.6(3) . . . . ?
B10C B1C B2C B7C 0.4(5) . . . . ?
B10C B1C B5C Cl5 115.4(4) . . . . ?
B10C B1C B5C C1C -133.6(4) . . . . ?
B10C B1C B5C B4C -100.7(4) . . . . ?
B10C B1C B5C B9C -37.7(3) . . . . ?
B10C B1C B6C Cl6 -112.1(4) . . . . ?
B10C B1C B6C B2C 138.0(4) . . . . ?
B10C B1C B6C B7C 100.6(4) . . . . ?
B10C B1C B6C B11C 37.2(3) . . . . ?
B10C B5C B9C Cl9 111.4(4) . . . . ?
B10C B5C B9C B4C -137.1(4) . . . . ?
B10C B5C B9C B8C -100.0(4) . . . . ?
B10C B5C B9C B11C -36.8(3) . . . . ?
B10C B6C B7C Cl7 -148.4(3) . . . . ?
B10C B6C B7C B2C 101.0(4) . . . . ?
B10C B6C B7C B3C 63.2(4) . . . . ?
B10C B6C B7C B8C 0.3(5) . . . . ?
B10C B6C B7C B11C -36.8(3) . . . . ?
B10C B6C B11C Cl11 -109.8(4) . . . . ?
B10C B6C B11C B7C 138.7(4) . . . . ?
B10C B6C B11C B8C 101.4(4) . . . . ?
B10C B6C B11C B9C 37.6(3) . . . . ?
B10C B9C B11C Cl11 110.2(4) . . . . ?
B10C B9C B11C B6C -37.3(3) . . . . ?
B10C B9C B11C B7C -100.8(4) . . . . ?
B10C B9C B11C B8C -138.2(4) . . . . ?
B11C B6C B7C Cl7 -111.6(4) . . . . ?
B11C B6C B7C B2C 137.8(4) . . . . ?
B11C B6C B7C B3C 100.0(4) . . . . ?
B11C B6C B7C B8C 37.1(3) . . . . ?
B11C B6C B10C Cl10 112.4(4) . . . . ?
B11C B6C B10C B1C -138.0(4) . . . . ?
B11C B6C B10C B5C -100.5(4) . . . . ?
B11C B6C B10C B9C -37.5(3) . . . . ?
B11C B7C B8C Cl8 -113.4(4) . . . . ?
B11C B7C B8C B3C 137.6(4) . . . . ?
B11C B7C B8C B4C 100.3(4) . . . . ?
B11C B7C B8C B9C 37.3(3) . . . . ?
B11C B8C B9C Cl9 -111.3(4) . . . . ?
B11C B8C B9C B4C 137.8(4) . . . . ?
B11C B8C B9C B5C 100.1(4) . . . . ?
B11C B8C B9C B10C 37.0(3) . . . . ?
B11C B9C B10C Cl10 -111.8(4) . . . . ?
B11C B9C B10C B1C 101.1(4) . . . . ?
B11C B9C B10C B5C 138.5(4) . . . . ?
B11C B9C B10C B6C 37.7(3) . . . . ?
Cl1D B1D B2D Cl2D -0.6(6) . . . . ?
Cl1D B1D B2D C1D -110.4(4) . . . . ?
Cl1D B1D B2D B3D -143.4(4) . . . . ?
Cl1D B1D B2D B6D 115.2(4) . . . . ?
Cl1D B1D B2D B7D 153.0(3) . . . . ?
Cl1D B1D B5D Cl5D -0.6(6) . . . . ?
Cl1D B1D B5D C1D 109.9(4) . . . . ?
Cl1D B1D B5D B4D 142.9(4) . . . . ?
Cl1D B1D B5D B9D -154.0(4) . . . . ?
Cl1D B1D B5D B10D -115.7(4) . . . . ?
Cl1D B1D B6D Cl6D 3.3(6) . . . . ?
Cl1D B1D B6D B2D -107.2(5) . . . . ?
Cl1D B1D B6D B7D -144.6(4) . . . . ?
Cl1D B1D B6D B10D 114.9(5) . . . . ?
Cl1D B1D B6D B11D 152.5(4) . . . . ?
Cl1D B1D B10D Cl12 -2.7(6) . . . . ?
Cl1D B1D B10D B5D 108.1(5) . . . . ?
Cl1D B1D B10D B6D -113.8(5) . . . . ?
Cl1D B1D B10D B9D 145.6(4) . . . . ?
Cl1D B1D B10D B11D -151.6(4) . . . . ?
Cl2D B2D B3D Cl3D 1.0(6) . . . . ?
Cl2D B2D B3D C1D -109.6(4) . . . . ?
Cl2D B2D B3D B4D -142.3(4) . . . . ?
Cl2D B2D B3D B7D 116.4(4) . . . . ?
Cl2D B2D B3D B8D 154.0(4) . . . . ?
Cl2D B2D B6D Cl6D -5.1(6) . . . . ?
Cl2D B2D B6D B1D 106.9(5) . . . . ?
Cl2D B2D B6D B7D -115.1(5) . . . . ?
Cl2D B2D B6D B10D 144.2(4) . . . . ?
Cl2D B2D B6D B11D -152.7(4) . . . . ?
Cl2D B2D B7D Cl7D 3.5(6) . . . . ?
Cl2D B2D B7D B3D -107.5(5) . . . . ?
Cl2D B2D B7D B6D 114.2(5) . . . . ?
Cl2D B2D B7D B8D -144.6(4) . . . . ?
Cl2D B2D B7D B11D 152.2(4) . . . . ?
Cl3D B3D B4D Cl4D -0.2(6) . . . . ?
Cl3D B3D B4D C1D -110.0(4) . . . . ?
Cl3D B3D B4D B5D -143.0(4) . . . . ?
Cl3D B3D B4D B8D 115.9(4) . . . . ?
Cl3D B3D B4D B9D 153.9(4) . . . . ?
Cl3D B3D B7D Cl7D -4.3(6) . . . . ?
Cl3D B3D B7D B2D 107.0(5) . . . . ?
Cl3D B3D B7D B6D 143.9(4) . . . . ?
Cl3D B3D B7D B8D -114.7(5) . . . . ?
Cl3D B3D B7D B11D -152.4(4) . . . . ?
Cl3D B3D B8D Cl8D 2.6(6) . . . . ?
Cl3D B3D B8D B4D -107.9(5) . . . . ?
Cl3D B3D B8D B7D 113.5(5) . . . . ?
Cl3D B3D B8D B9D -145.4(4) . . . . ?
Cl3D B3D B8D B11D 151.4(4) . . . . ?
Cl4D B4D B5D Cl5D 0.7(6) . . . . ?
Cl4D B4D B5D C1D -109.8(4) . . . . ?
Cl4D B4D B5D B1D -142.8(4) . . . . ?
Cl4D B4D B5D B9D 116.4(4) . . . . ?
Cl4D B4D B5D B10D 154.4(4) . . . . ?
Cl4D B4D B8D Cl8D -2.4(6) . . . . ?
Cl4D B4D B8D B3D 107.2(5) . . . . ?
Cl4D B4D B8D B7D 144.2(4) . . . . ?
Cl4D B4D B8D B9D -115.0(5) . . . . ?
Cl4D B4D B8D B11D -152.3(4) . . . . ?
Cl4D B4D B9D Cl9D 3.7(7) . . . . ?
Cl4D B4D B9D B5D -107.3(5) . . . . ?
Cl4D B4D B9D B8D 114.5(5) . . . . ?
Cl4D B4D B9D B10D -144.8(4) . . . . ?
Cl4D B4D B9D B11D 151.7(4) . . . . ?
Cl5D B5D B9D Cl9D -3.4(6) . . . . ?
Cl5D B5D B9D B4D 107.9(5) . . . . ?
Cl5D B5D B9D B8D 145.3(4) . . . . ?
Cl5D B5D B9D B10D -114.1(5) . . . . ?
Cl5D B5D B9D B11D -151.4(4) . . . . ?
Cl5D B5D B10D Cl12 2.5(6) . . . . ?
Cl5D B5D B10D B1D -107.7(5) . . . . ?
Cl5D B5D B10D B6D -144.8(4) . . . . ?
Cl5D B5D B10D B9D 114.8(5) . . . . ?
Cl5D B5D B10D B11D 151.7(4) . . . . ?
Cl6D B6D B7D Cl7D 0.5(6) . . . . ?
Cl6D B6D B7D B2D -110.7(4) . . . . ?
Cl6D B6D B7D B3D -147.7(4) . . . . ?
Cl6D B6D B7D B8D 149.1(4) . . . . ?
Cl6D B6D B7D B11D 111.8(4) . . . . ?
Cl6D B6D B10D Cl12 1.7(6) . . . . ?
Cl6D B6D B10D B1D 111.1(4) . . . . ?
Cl6D B6D B10D B5D 148.8(4) . . . . ?
Cl6D B6D B10D B9D -148.5(4) . . . . ?
Cl6D B6D B10D B11D -111.2(4) . . . . ?
Cl6D B6D B11D Cl13 2.1(6) . . . . ?
Cl6D B6D B11D B7D -109.5(4) . . . . ?
Cl6D B6D B11D B8D -146.8(4) . . . . ?
Cl6D B6D B11D B9D 149.5(3) . . . . ?
Cl6D B6D B11D B10D 111.8(4) . . . . ?
Cl7D B7D B8D Cl8D -1.9(6) . . . . ?
Cl7D B7D B8D B3D -111.3(4) . . . . ?
Cl7D B7D B8D B4D -148.4(4) . . . . ?
Cl7D B7D B8D B9D 148.5(3) . . . . ?
Cl7D B7D B8D B11D 111.2(4) . . . . ?
Cl7D B7D B11D Cl13 1.0(6) . . . . ?
Cl7D B7D B11D B6D 111.2(4) . . . . ?
Cl7D B7D B11D B8D -110.5(4) . . . . ?
Cl7D B7D B11D B9D -148.0(4) . . . . ?
Cl7D B7D B11D B10D 148.2(3) . . . . ?
Cl8D B8D B9D Cl9D 1.7(6) . . . . ?
Cl8D B8D B9D B4D -109.3(4) . . . . ?
Cl8D B8D B9D B5D -147.0(4) . . . . ?
Cl8D B8D B9D B10D 149.7(4) . . . . ?
Cl8D B8D B9D B11D 112.5(4) . . . . ?
Cl8D B8D B11D Cl13 -1.4(6) . . . . ?
Cl8D B8D B11D B6D 147.2(4) . . . . ?
Cl8D B8D B11D B7D 109.9(4) . . . . ?
Cl8D B8D B11D B9D -111.9(4) . . . . ?
Cl8D B8D B11D B10D -149.3(4) . . . . ?
Cl9D B9D B10D Cl12 -1.3(6) . . . . ?
Cl9D B9D B10D B1D -148.8(4) . . . . ?
Cl9D B9D B10D B5D -110.7(4) . . . . ?
Cl9D B9D B10D B6D 148.5(4) . . . . ?
Cl9D B9D B10D B11D 111.0(4) . . . . ?
Cl9D B9D B11D Cl13 -1.0(6) . . . . ?
Cl9D B9D B11D B6D -148.3(3) . . . . ?
Cl9D B9D B11D B7D 148.2(4) . . . . ?
Cl9D B9D B11D B8D 110.8(4) . . . . ?
Cl9D B9D B11D B10D -110.8(4) . . . . ?
Cl12 B10D B11D Cl13 0.4(6) . . . . ?
Cl12 B10D B11D B6D -110.4(4) . . . . ?
Cl12 B10D B11D B7D -147.4(4) . . . . ?
Cl12 B10D B11D B8D 149.0(4) . . . . ?
Cl12 B10D B11D B9D 111.6(4) . . . . ?
C1D B1D B2D Cl2D 109.8(4) . . . . ?
C1D B1D B2D B3D -33.0(3) . . . . ?
C1D B1D B2D B6D -134.5(4) . . . . ?
C1D B1D B2D B7D -96.6(4) . . . . ?
C1D B1D B5D Cl5D -110.5(4) . . . . ?
C1D B1D B5D B4D 33.0(3) . . . . ?
C1D B1D B5D B9D 96.0(4) . . . . ?
C1D B1D B5D B10D 134.3(4) . . . . ?
C1D B1D B6D Cl6D 149.5(4) . . . . ?
C1D B1D B6D B2D 39.1(3) . . . . ?
C1D B1D B6D B7D 1.7(5) . . . . ?
C1D B1D B6D B10D -98.8(4) . . . . ?
C1D B1D B6D B11D -61.3(4) . . . . ?
C1D B1D B10D Cl12 -149.9(4) . . . . ?
C1D B1D B10D B5D -39.1(3) . . . . ?
C1D B1D B10D B6D 99.0(4) . . . . ?
C1D B1D B10D B9D -1.5(5) . . . . ?
C1D B1D B10D B11D 61.3(4) . . . . ?
C1D B2D B3D Cl3D 110.6(4) . . . . ?
C1D B2D B3D B4D -32.7(3) . . . . ?
C1D B2D B3D B7D -134.0(4) . . . . ?
C1D B2D B3D B8D -96.4(4) . . . . ?
C1D B2D B6D Cl6D -151.1(4) . . . . ?
C1D B2D B6D B1D -39.1(3) . . . . ?
C1D B2D B6D B7D 99.0(4) . . . . ?
C1D B2D B6D B10D -1.7(5) . . . . ?
C1D B2D B6D B11D 61.4(4) . . . . ?
C1D B2D B7D Cl7D 150.5(3) . . . . ?
C1D B2D B7D B3D 39.5(3) . . . . ?
C1D B2D B7D B6D -98.8(4) . . . . ?
C1D B2D B7D B8D 2.4(5) . . . . ?
C1D B2D B7D B11D -60.8(4) . . . . ?
C1D B3D B4D Cl4D 109.8(4) . . . . ?
C1D B3D B4D B5D -33.0(3) . . . . ?
C1D B3D B4D B8D -134.1(4) . . . . ?
C1D B3D B4D B9D -96.1(4) . . . . ?
C1D B3D B7D Cl7D -150.9(4) . . . . ?
C1D B3D B7D B2D -39.7(3) . . . . ?
C1D B3D B7D B6D -2.7(5) . . . . ?
C1D B3D B7D B8D 98.7(4) . . . . ?
C1D B3D B7D B11D 61.0(4) . . . . ?
C1D B3D B8D Cl8D 150.0(4) . . . . ?
C1D B3D B8D B4D 39.4(3) . . . . ?
C1D B3D B8D B7D -99.2(4) . . . . ?
C1D B3D B8D B9D 1.9(5) . . . . ?
C1D B3D B8D B11D -61.3(5) . . . . ?
C1D B4D B5D Cl5D 110.4(4) . . . . ?
C1D B4D B5D B1D -33.0(3) . . . . ?
C1D B4D B5D B9D -133.9(4) . . . . ?
C1D B4D B5D B10D -95.8(4) . . . . ?
C1D B4D B8D Cl8D -149.0(3) . . . . ?
C1D B4D B8D B3D -39.3(3) . . . . ?
C1D B4D B8D B7D -2.3(5) . . . . ?
C1D B4D B8D B9D 98.4(4) . . . . ?
C1D B4D B8D B11D 61.2(4) . . . . ?
C1D B4D B9D Cl9D 150.4(4) . . . . ?
C1D B4D B9D B5D 39.4(4) . . . . ?
C1D B4D B9D B8D -98.8(4) . . . . ?
C1D B4D B9D B10D 1.9(5) . . . . ?
C1D B4D B9D B11D -61.6(5) . . . . ?
C1D B5D B9D Cl9D -150.7(4) . . . . ?
C1D B5D B9D B4D -39.3(3) . . . . ?
C1D B5D B9D B8D -1.9(5) . . . . ?
C1D B5D B9D B10D 98.6(4) . . . . ?
C1D B5D B9D B11D 61.3(4) . . . . ?
C1D B5D B10D Cl12 149.2(4) . . . . ?
C1D B5D B10D B1D 39.0(3) . . . . ?
C1D B5D B10D B6D 1.9(5) . . . . ?
C1D B5D B10D B9D -98.6(4) . . . . ?
C1D B5D B10D B11D -61.6(5) . . . . ?
B1D C1D B2D Cl2D -108.3(4) . . . . ?
B1D C1D B2D B3D 142.7(4) . . . . ?
B1D C1D B2D B6D 39.6(3) . . . . ?
B1D C1D B2D B7D 102.6(4) . . . . ?
B1D C1D B3D Cl3D -144.1(4) . . . . ?
B1D C1D B3D B2D -36.2(4) . . . . ?
B1D C1D B3D B4D 106.9(4) . . . . ?
B1D C1D B3D B7D 4.1(5) . . . . ?
B1D C1D B3D B8D 66.8(5) . . . . ?
B1D C1D B4D Cl4D 145.7(4) . . . . ?
B1D C1D B4D B3D -105.7(4) . . . . ?
B1D C1D B4D B5D 36.8(4) . . . . ?
B1D C1D B4D B8D -65.8(5) . . . . ?
B1D C1D B4D B9D -3.1(5) . . . . ?
B1D C1D B5D Cl5D 108.7(4) . . . . ?
B1D C1D B5D B4D -142.5(4) . . . . ?
B1D C1D B5D B9D -102.5(4) . . . . ?
B1D C1D B5D B10D -39.5(4) . . . . ?
B1D B2D B3D Cl3D 143.5(4) . . . . ?
B1D B2D B3D C1D 33.0(3) . . . . ?
B1D B2D B3D B4D 0.3(5) . . . . ?
B1D B2D B3D B7D -101.0(4) . . . . ?
B1D B2D B3D B8D -63.4(5) . . . . ?
B1D B2D B6D Cl6D -112.0(4) . . . . ?
B1D B2D B6D B7D 138.0(4) . . . . ?
B1D B2D B6D B10D 37.4(3) . . . . ?
B1D B2D B6D B11D 100.5(4) . . . . ?
B1D B2D B7D Cl7D -148.1(3) . . . . ?
B1D B2D B7D B3D 100.9(4) . . . . ?
B1D B2D B7D B6D -37.4(3) . . . . ?
B1D B2D B7D B8D 63.7(4) . . . . ?
B1D B2D B7D B11D 0.6(5) . . . . ?
B1D B5D B9D Cl9D 148.4(4) . . . . ?
B1D B5D B9D B4D -100.3(4) . . . . ?
B1D B5D B9D B8D -62.9(5) . . . . ?
B1D B5D B9D B10D 37.7(4) . . . . ?
B1D B5D B9D B11D 0.4(5) . . . . ?
B1D B5D B10D Cl12 110.2(4) . . . . ?
B1D B5D B10D B6D -37.1(4) . . . . ?
B1D B5D B10D B9D -137.5(4) . . . . ?
B1D B5D B10D B11D -100.6(4) . . . . ?
B1D B6D B7D Cl7D 148.9(4) . . . . ?
B1D B6D B7D B2D 37.7(4) . . . . ?
B1D B6D B7D B3D 0.7(5) . . . . ?
B1D B6D B7D B8D -62.5(5) . . . . ?
B1D B6D B7D B11D -99.8(4) . . . . ?
B1D B6D B10D Cl12 -109.4(4) . . . . ?
B1D B6D B10D B5D 37.6(4) . . . . ?
B1D B6D B10D B9D 100.4(4) . . . . ?
B1D B6D B10D B11D 137.6(4) . . . . ?
B1D B6D B11D Cl13 -147.1(3) . . . . ?
B1D B6D B11D B7D 101.2(4) . . . . ?
B1D B6D B11D B8D 63.9(4) . . . . ?
B1D B6D B11D B9D 0.2(5) . . . . ?
B1D B6D B11D B10D -37.5(3) . . . . ?
B1D B10D B11D Cl13 148.3(3) . . . . ?
B1D B10D B11D B6D 37.4(3) . . . . ?
B1D B10D B11D B7D 0.5(5) . . . . ?
B1D B10D B11D B8D -63.2(4) . . . . ?
B1D B10D B11D B9D -100.6(4) . . . . ?
B2D C1D B1D Cl1D 108.1(4) . . . . ?
B2D C1D B1D B5D -142.8(4) . . . . ?
B2D C1D B1D B6D -39.7(4) . . . . ?
B2D C1D B1D B10D -103.0(4) . . . . ?
B2D C1D B3D Cl3D -107.9(4) . . . . ?
B2D C1D B3D B4D 143.1(4) . . . . ?
B2D C1D B3D B7D 40.3(3) . . . . ?
B2D C1D B3D B8D 103.0(4) . . . . ?
B2D C1D B4D Cl4D -144.4(4) . . . . ?
B2D C1D B4D B3D -35.8(4) . . . . ?
B2D C1D B4D B5D 106.8(4) . . . . ?
B2D C1D B4D B8D 4.1(5) . . . . ?
B2D C1D B4D B9D 66.8(5) . . . . ?
B2D C1D B5D Cl5D 145.0(4) . . . . ?
B2D C1D B5D B1D 36.3(4) . . . . ?
B2D C1D B5D B4D -106.1(4) . . . . ?
B2D C1D B5D B9D -66.2(5) . . . . ?
B2D C1D B5D B10D -3.2(5) . . . . ?
B2D B1D B5D Cl5D -143.3(4) . . . . ?
B2D B1D B5D C1D -32.9(4) . . . . ?
B2D B1D B5D B4D 0.1(5) . . . . ?
B2D B1D B5D B9D 63.2(5) . . . . ?
B2D B1D B5D B10D 101.5(4) . . . . ?
B2D B1D B6D Cl6D 110.4(4) . . . . ?
B2D B1D B6D B7D -37.5(3) . . . . ?
B2D B1D B6D B10D -137.9(4) . . . . ?
B2D B1D B6D B11D -100.4(4) . . . . ?
B2D B1D B10D Cl12 148.7(4) . . . . ?
B2D B1D B10D B5D -100.5(4) . . . . ?
B2D B1D B10D B6D 37.7(3) . . . . ?
B2D B1D B10D B9D -62.9(5) . . . . ?
B2D B1D B10D B11D -0.1(5) . . . . ?
B2D B3D B4D Cl4D 142.7(4) . . . . ?
B2D B3D B4D C1D 32.8(3) . . . . ?
B2D B3D B4D B5D -0.2(5) . . . . ?
B2D B3D B4D B8D -101.2(4) . . . . ?
B2D B3D B4D B9D -63.3(5) . . . . ?
B2D B3D B7D Cl7D -111.2(4) . . . . ?
B2D B3D B7D B6D 36.9(4) . . . . ?
B2D B3D B7D B8D 138.3(4) . . . . ?
B2D B3D B7D B11D 100.6(4) . . . . ?
B2D B3D B8D Cl8D -148.4(4) . . . . ?
B2D B3D B8D B4D 101.1(4) . . . . ?
B2D B3D B8D B7D -37.5(4) . . . . ?
B2D B3D B8D B9D 63.6(5) . . . . ?
B2D B3D B8D B11D 0.4(5) . . . . ?
B2D B6D B7D Cl7D 111.2(4) . . . . ?
B2D B6D B7D B3D -37.1(4) . . . . ?
B2D B6D B7D B8D -100.3(4) . . . . ?
B2D B6D B7D B11D -137.6(4) . . . . ?
B2D B6D B10D Cl12 -147.2(4) . . . . ?
B2D B6D B10D B1D -37.8(4) . . . . ?
B2D B6D B10D B5D -0.1(5) . . . . ?
B2D B6D B10D B9D 62.6(5) . . . . ?
B2D B6D B10D B11D 99.9(4) . . . . ?
B2D B6D B11D Cl13 149.3(3) . . . . ?
B2D B6D B11D B7D 37.6(4) . . . . ?
B2D B6D B11D B8D 0.3(5) . . . . ?
B2D B6D B11D B9D -63.4(4) . . . . ?
B2D B6D B11D B10D -101.1(4) . . . . ?
B2D B7D B8D Cl8D 146.5(3) . . . . ?
B2D B7D B8D B3D 37.1(3) . . . . ?
B2D B7D B8D B4D 0.0(5) . . . . ?
B2D B7D B8D B9D -63.1(4) . . . . ?
B2D B7D B8D B11D -100.4(4) . . . . ?
B2D B7D B11D Cl13 -147.8(4) . . . . ?
B2D B7D B11D B6D -37.6(3) . . . . ?
B2D B7D B11D B8D 100.7(4) . . . . ?
B2D B7D B11D B9D 63.2(4) . . . . ?
B2D B7D B11D B10D -0.6(5) . . . . ?
B3D C1D B1D Cl1D 144.1(4) . . . . ?
B3D C1D B1D B2D 36.0(4) . . . . ?
B3D C1D B1D B5D -106.8(4) . . . . ?
B3D C1D B1D B6D -3.6(5) . . . . ?
B3D C1D B1D B10D -67.0(5) . . . . ?
B3D C1D B2D Cl2D 109.0(4) . . . . ?
B3D C1D B2D B1D -142.7(4) . . . . ?
B3D C1D B2D B6D -103.2(4) . . . . ?
B3D C1D B2D B7D -40.1(3) . . . . ?
B3D C1D B4D Cl4D -108.6(5) . . . . ?
B3D C1D B4D B5D 142.6(4) . . . . ?
B3D C1D B4D B8D 39.9(3) . . . . ?
B3D C1D B4D B9D 102.6(4) . . . . ?
B3D C1D B5D Cl5D -145.4(4) . . . . ?
B3D C1D B5D B1D 105.9(4) . . . . ?
B3D C1D B5D B4D -36.6(4) . . . . ?
B3D C1D B5D B9D 3.4(5) . . . . ?
B3D C1D B5D B10D 66.4(5) . . . . ?
B3D B2D B6D Cl6D 147.4(4) . . . . ?
B3D B2D B6D B1D -100.6(4) . . . . ?
B3D B2D B6D B7D 37.4(4) . . . . ?
B3D B2D B6D B10D -63.2(5) . . . . ?
B3D B2D B6D B11D -0.1(5) . . . . ?
B3D B2D B7D Cl7D 111.0(4) . . . . ?
B3D B2D B7D B6D -138.3(4) . . . . ?
B3D B2D B7D B8D -37.1(3) . . . . ?
B3D B2D B7D B11D -100.3(4) . . . . ?
B3D B4D B5D Cl5D 143.4(4) . . . . ?
B3D B4D B5D C1D 33.0(3) . . . . ?
B3D B4D B5D B1D 0.0(5) . . . . ?
B3D B4D B5D B9D -100.9(4) . . . . ?
B3D B4D B5D B10D -62.8(5) . . . . ?
B3D B4D B8D Cl8D -109.7(4) . . . . ?
B3D B4D B8D B7D 37.0(3) . . . . ?
B3D B4D B8D B9D 137.8(4) . . . . ?
B3D B4D B8D B11D 100.5(4) . . . . ?
B3D B4D B9D Cl9D -148.5(4) . . . . ?
B3D B4D B9D B5D 100.6(4) . . . . ?
B3D B4D B9D B8D -37.7(4) . . . . ?
B3D B4D B9D B10D 63.0(5) . . . . ?
B3D B4D B9D B11D -0.4(5) . . . . ?
B3D B7D B8D Cl8D 109.3(4) . . . . ?
B3D B7D B8D B4D -37.2(4) . . . . ?
B3D B7D B8D B9D -100.2(4) . . . . ?
B3D B7D B8D B11D -137.6(4) . . . . ?
B3D B7D B11D Cl13 149.1(4) . . . . ?
B3D B7D B11D B6D -100.6(4) . . . . ?
B3D B7D B11D B8D 37.7(3) . . . . ?
B3D B7D B11D B9D 0.2(5) . . . . ?
B3D B7D B11D B10D -63.7(4) . . . . ?
B3D B8D B9D Cl9D 148.7(4) . . . . ?
B3D B8D B9D B4D 37.7(4) . . . . ?
B3D B8D B9D B5D 0.0(5) . . . . ?
B3D B8D B9D B10D -63.3(5) . . . . ?
B3D B8D B9D B11D -100.5(4) . . . . ?
B3D B8D B11D Cl13 -149.0(4) . . . . ?
B3D B8D B11D B6D -0.4(5) . . . . ?
B3D B8D B11D B7D -37.7(4) . . . . ?
B3D B8D B11D B9D 100.5(4) . . . . ?
B3D B8D B11D B10D 63.1(5) . . . . ?
B4D C1D B1D Cl1D -145.9(4) . . . . ?
B4D C1D B1D B2D 106.0(4) . . . . ?
B4D C1D B1D B5D -36.8(4) . . . . ?
B4D C1D B1D B6D 66.3(5) . . . . ?
B4D C1D B1D B10D 3.0(5) . . . . ?
B4D C1D B2D Cl2D 145.0(4) . . . . ?
B4D C1D B2D B1D -106.8(4) . . . . ?
B4D C1D B2D B3D 36.0(4) . . . . ?
B4D C1D B2D B6D -67.2(5) . . . . ?
B4D C1D B2D B7D -4.2(5) . . . . ?
B4D C1D B3D Cl3D 109.0(4) . . . . ?
B4D C1D B3D B2D -143.1(4) . . . . ?
B4D C1D B3D B7D -102.8(4) . . . . ?
B4D C1D B3D B8D -40.1(3) . . . . ?
B4D C1D B5D Cl5D -108.9(4) . . . . ?
B4D C1D B5D B1D 142.5(4) . . . . ?
B4D C1D B5D B9D 40.0(3) . . . . ?
B4D C1D B5D B10D 103.0(4) . . . . ?
B4D B3D B7D Cl7D 147.7(4) . . . . ?
B4D B3D B7D B2D -101.1(4) . . . . ?
B4D B3D B7D B6D -64.2(5) . . . . ?
B4D B3D B7D B8D 37.2(4) . . . . ?
B4D B3D B7D B11D -0.5(5) . . . . ?
B4D B3D B8D Cl8D 110.6(4) . . . . ?
B4D B3D B8D B7D -138.5(4) . . . . ?
B4D B3D B8D B9D -37.4(3) . . . . ?
B4D B3D B8D B11D -100.7(4) . . . . ?
B4D B5D B9D Cl9D -111.3(4) . . . . ?
B4D B5D B9D B8D 37.4(4) . . . . ?
B4D B5D B9D B10D 138.0(4) . . . . ?
B4D B5D B9D B11D 100.7(4) . . . . ?
B4D B5D B10D Cl12 -149.8(4) . . . . ?
B4D B5D B10D B1D 100.0(4) . . . . ?
B4D B5D B10D B6D 62.9(5) . . . . ?
B4D B5D B10D B9D -37.5(4) . . . . ?
B4D B5D B10D B11D -0.6(5) . . . . ?
B4D B8D B9D Cl9D 111.0(4) . . . . ?
B4D B8D B9D B5D -37.7(4) . . . . ?
B4D B8D B9D B10D -101.0(4) . . . . ?
B4D B8D B9D B11D -138.2(4) . . . . ?
B4D B8D B11D Cl13 147.5(4) . . . . ?
B4D B8D B11D B6D -63.9(4) . . . . ?
B4D B8D B11D B7D -101.1(4) . . . . ?
B4D B8D B11D B9D 37.1(3) . . . . ?
B4D B8D B11D B10D -0.4(5) . . . . ?
B4D B9D B10D Cl12 147.3(4) . . . . ?
B4D B9D B10D B1D -0.2(5) . . . . ?
B4D B9D B10D B5D 37.9(4) . . . . ?
B4D B9D B10D B6D -62.9(5) . . . . ?
B4D B9D B10D B11D -100.4(4) . . . . ?
B4D B9D B11D Cl13 -149.1(4) . . . . ?
B4D B9D B11D B6D 63.6(4) . . . . ?
B4D B9D B11D B7D 0.2(5) . . . . ?
B4D B9D B11D B8D -37.3(3) . . . . ?
B4D B9D B11D B10D 101.2(4) . . . . ?
B5D C1D B1D Cl1D -109.1(4) . . . . ?
B5D C1D B1D B2D 142.8(4) . . . . ?
B5D C1D B1D B6D 103.2(4) . . . . ?
B5D C1D B1D B10D 39.8(4) . . . . ?
B5D C1D B2D Cl2D -144.7(4) . . . . ?
B5D C1D B2D B1D -36.5(4) . . . . ?
B5D C1D B2D B3D 106.3(4) . . . . ?
B5D C1D B2D B6D 3.1(5) . . . . ?
B5D C1D B2D B7D 66.1(5) . . . . ?
B5D C1D B3D Cl3D 145.7(4) . . . . ?
B5D C1D B3D B2D -106.4(4) . . . . ?
B5D C1D B3D B4D 36.7(4) . . . . ?
B5D C1D B3D B7D -66.2(5) . . . . ?
B5D C1D B3D B8D -3.4(5) . . . . ?
B5D C1D B4D Cl4D 108.8(5) . . . . ?
B5D C1D B4D B3D -142.6(4) . . . . ?
B5D C1D B4D B8D -102.7(4) . . . . ?
B5D C1D B4D B9D -40.0(4) . . . . ?
B5D B1D B2D Cl2D 142.6(4) . . . . ?
B5D B1D B2D C1D 32.8(3) . . . . ?
B5D B1D B2D B3D -0.2(5) . . . . ?
B5D B1D B2D B6D -101.7(4) . . . . ?
B5D B1D B2D B7D -63.8(5) . . . . ?
B5D B1D B6D Cl6D -149.2(4) . . . . ?
B5D B1D B6D B2D 100.4(4) . . . . ?
B5D B1D B6D B7D 62.9(5) . . . . ?
B5D B1D B6D B10D -37.6(4) . . . . ?
B5D B1D B6D B11D 0.0(5) . . . . ?
B5D B1D B10D Cl12 -110.8(4) . . . . ?
B5D B1D B10D B6D 138.1(4) . . . . ?
B5D B1D B10D B9D 37.5(4) . . . . ?
B5D B1D B10D B11D 100.4(4) . . . . ?
B5D B4D B8D Cl8D 149.8(4) . . . . ?
B5D B4D B8D B3D -100.5(4) . . . . ?
B5D B4D B8D B7D -63.5(5) . . . . ?
B5D B4D B8D B9D 37.3(4) . . . . ?
B5D B4D B8D B11D 0.0(5) . . . . ?
B5D B4D B9D Cl9D 111.0(4) . . . . ?
B5D B4D B9D B8D -138.2(4) . . . . ?
B5D B4D B9D B10D -37.5(4) . . . . ?
B5D B4D B9D B11D -101.0(4) . . . . ?
B5D B9D B10D Cl12 109.5(4) . . . . ?
B5D B9D B10D B1D -38.1(4) . . . . ?
B5D B9D B10D B6D -100.7(4) . . . . ?
B5D B9D B10D B11D -138.3(4) . . . . ?
B5D B9D B11D Cl13 146.9(4) . . . . ?
B5D B9D B11D B6D -0.4(5) . . . . ?
B5D B9D B11D B7D -63.8(4) . . . . ?
B5D B9D B11D B8D -101.3(4) . . . . ?
B5D B9D B11D B10D 37.2(3) . . . . ?
B5D B10D B11D Cl13 -148.0(4) . . . . ?
B5D B10D B11D B6D 101.2(4) . . . . ?
B5D B10D B11D B7D 64.2(4) . . . . ?
B5D B10D B11D B8D 0.6(5) . . . . ?
B5D B10D B11D B9D -36.8(3) . . . . ?
B6D B1D B2D Cl2D -115.8(4) . . . . ?
B6D B1D B2D C1D 134.5(4) . . . . ?
B6D B1D B2D B3D 101.4(4) . . . . ?
B6D B1D B2D B7D 37.9(4) . . . . ?
B6D B1D B5D Cl5D 153.2(4) . . . . ?
B6D B1D B5D C1D -96.3(4) . . . . ?
B6D B1D B5D B4D -63.3(5) . . . . ?
B6D B1D B5D B9D -0.2(5) . . . . ?
B6D B1D B5D B10D 38.0(4) . . . . ?
B6D B1D B10D Cl12 111.0(4) . . . . ?
B6D B1D B10D B5D -138.1(4) . . . . ?
B6D B1D B10D B9D -100.6(4) . . . . ?
B6D B1D B10D B11D -37.8(3) . . . . ?
B6D B2D B3D Cl3D -153.2(4) . . . . ?
B6D B2D B3D C1D 96.2(4) . . . . ?
B6D B2D B3D B4D 63.5(5) . . . . ?
B6D B2D B3D B7D -37.7(4) . . . . ?
B6D B2D B3D B8D -0.2(5) . . . . ?
B6D B2D B7D Cl7D -110.7(4) . . . . ?
B6D B2D B7D B3D 138.3(4) . . . . ?
B6D B2D B7D B8D 101.2(4) . . . . ?
B6D B2D B7D B11D 38.0(3) . . . . ?
B6D B7D B8D Cl8D -150.6(3) . . . . ?
B6D B7D B8D B3D 100.0(4) . . . . ?
B6D B7D B8D B4D 62.9(4) . . . . ?
B6D B7D B8D B9D -0.2(5) . . . . ?
B6D B7D B8D B11D -37.5(3) . . . . ?
B6D B7D B11D Cl13 -110.2(4) . . . . ?
B6D B7D B11D B8D 138.3(4) . . . . ?
B6D B7D B11D B9D 100.8(4) . . . . ?
B6D B7D B11D B10D 36.9(3) . . . . ?
B6D B10D B11D Cl13 110.9(4) . . . . ?
B6D B10D B11D B7D -36.9(3) . . . . ?
B6D B10D B11D B8D -100.6(4) . . . . ?
B6D B10D B11D B9D -138.0(4) . . . . ?
B7D B2D B3D Cl3D -115.4(4) . . . . ?
B7D B2D B3D C1D 134.0(4) . . . . ?
B7D B2D B3D B4D 101.3(4) . . . . ?
B7D B2D B3D B8D 37.6(4) . . . . ?
B7D B2D B6D Cl6D 110.0(4) . . . . ?
B7D B2D B6D B1D -138.0(4) . . . . ?
B7D B2D B6D B10D -100.6(4) . . . . ?
B7D B2D B6D B11D -37.5(3) . . . . ?
B7D B3D B4D Cl4D -153.5(4) . . . . ?
B7D B3D B4D C1D 96.7(4) . . . . ?
B7D B3D B4D B5D 63.6(5) . . . . ?
B7D B3D B4D B8D -37.4(3) . . . . ?
B7D B3D B4D B9D 0.6(5) . . . . ?
B7D B3D B8D Cl8D -110.9(4) . . . . ?
B7D B3D B8D B4D 138.5(4) . . . . ?
B7D B3D B8D B9D 101.1(4) . . . . ?
B7D B3D B8D B11D 37.8(3) . . . . ?
B7D B6D B10D Cl12 149.6(4) . . . . ?
B7D B6D B10D B1D -100.9(4) . . . . ?
B7D B6D B10D B5D -63.3(5) . . . . ?
B7D B6D B10D B9D -0.6(5) . . . . ?
B7D B6D B10D B11D 36.7(3) . . . . ?
B7D B6D B11D Cl13 111.7(4) . . . . ?
B7D B6D B11D B8D -37.3(3) . . . . ?
B7D B6D B11D B9D -101.0(4) . . . . ?
B7D B6D B11D B10D -138.7(4) . . . . ?
B7D B8D B9D Cl9D -148.2(4) . . . . ?
B7D B8D B9D B4D 100.8(4) . . . . ?
B7D B8D B9D B5D 63.1(5) . . . . ?
B7D B8D B9D B10D -0.2(5) . . . . ?
B7D B8D B9D B11D -37.4(3) . . . . ?
B7D B8D B11D Cl13 -111.3(4) . . . . ?
B7D B8D B11D B6D 37.3(3) . . . . ?
B7D B8D B11D B9D 138.2(4) . . . . ?
B7D B8D B11D B10D 100.8(4) . . . . ?
B8D B3D B4D Cl4D -116.1(4) . . . . ?
B8D B3D B4D C1D 134.1(4) . . . . ?
B8D B3D B4D B5D 101.1(4) . . . . ?
B8D B3D B4D B9D 38.0(4) . . . . ?
B8D B3D B7D Cl7D 110.4(4) . . . . ?
B8D B3D B7D B2D -138.3(4) . . . . ?
B8D B3D B7D B6D -101.4(4) . . . . ?
B8D B3D B7D B11D -37.7(3) . . . . ?
B8D B4D B5D Cl5D -153.3(4) . . . . ?
B8D B4D B5D C1D 96.3(4) . . . . ?
B8D B4D B5D B1D 63.3(5) . . . . ?
B8D B4D B5D B9D -37.6(4) . . . . ?
B8D B4D B5D B10D 0.4(5) . . . . ?
B8D B4D B9D Cl9D -110.8(4) . . . . ?
B8D B4D B9D B5D 138.2(4) . . . . ?
B8D B4D B9D B10D 100.7(4) . . . . ?
B8D B4D B9D B11D 37.2(3) . . . . ?
B8D B7D B11D Cl13 111.5(4) . . . . ?
B8D B7D B11D B6D -138.3(4) . . . . ?
B8D B7D B11D B9D -37.5(3) . . . . ?
B8D B7D B11D B10D -101.4(4) . . . . ?
B8D B9D B10D Cl12 -149.3(4) . . . . ?
B8D B9D B10D B1D 63.1(5) . . . . ?
B8D B9D B10D B5D 101.2(4) . . . . ?
B8D B9D B10D B6D 0.5(5) . . . . ?
B8D B9D B10D B11D -37.1(3) . . . . ?
B8D B9D B11D Cl13 -111.8(4) . . . . ?
B8D B9D B11D B6D 100.9(4) . . . . ?
B8D B9D B11D B7D 37.4(3) . . . . ?
B8D B9D B11D B10D 138.4(4) . . . . ?
B9D B4D B5D Cl5D -115.7(4) . . . . ?
B9D B4D B5D C1D 133.9(4) . . . . ?
B9D B4D B5D B1D 100.9(4) . . . . ?
B9D B4D B5D B10D 38.0(4) . . . . ?
B9D B4D B8D Cl8D 112.6(4) . . . . ?
B9D B4D B8D B3D -137.8(4) . . . . ?
B9D B4D B8D B7D -100.8(4) . . . . ?
B9D B4D B8D B11D -37.3(3) . . . . ?
B9D B5D B10D Cl12 -112.3(4) . . . . ?
B9D B5D B10D B1D 137.5(4) . . . . ?
B9D B5D B10D B6D 100.4(4) . . . . ?
B9D B5D B10D B11D 36.9(3) . . . . ?
B9D B8D B11D Cl13 110.4(4) . . . . ?
B9D B8D B11D B6D -101.0(4) . . . . ?
B9D B8D B11D B7D -138.2(4) . . . . ?
B9D B8D B11D B10D -37.5(3) . . . . ?
B9D B10D B11D Cl13 -111.1(4) . . . . ?
B9D B10D B11D B6D 138.0(4) . . . . ?
B9D B10D B11D B7D 101.1(4) . . . . ?
B9D B10D B11D B8D 37.4(3) . . . . ?
B10D B1D B2D Cl2D -153.9(4) . . . . ?
B10D B1D B2D C1D 96.3(4) . . . . ?
B10D B1D B2D B3D 63.3(5) . . . . ?
B10D B1D B2D B6D -38.2(4) . . . . ?
B10D B1D B2D B7D -0.3(5) . . . . ?
B10D B1D B5D Cl5D 115.2(4) . . . . ?
B10D B1D B5D C1D -134.3(4) . . . . ?
B10D B1D B5D B4D -101.3(4) . . . . ?
B10D B1D B5D B9D -38.3(4) . . . . ?
B10D B1D B6D Cl6D -111.6(4) . . . . ?
B10D B1D B6D B2D 137.9(4) . . . . ?
B10D B1D B6D B7D 100.5(4) . . . . ?
B10D B1D B6D B11D 37.6(3) . . . . ?
B10D B5D B9D Cl9D 110.7(4) . . . . ?
B10D B5D B9D B4D -138.0(4) . . . . ?
B10D B5D B9D B8D -100.6(4) . . . . ?
B10D B5D B9D B11D -37.3(3) . . . . ?
B10D B6D B7D Cl7D -148.1(3) . . . . ?
B10D B6D B7D B2D 100.7(4) . . . . ?
B10D B6D B7D B3D 63.7(5) . . . . ?
B10D B6D B7D B8D 0.5(5) . . . . ?
B10D B6D B7D B11D -36.8(3) . . . . ?
B10D B6D B11D Cl13 -109.6(4) . . . . ?
B10D B6D B11D B7D 138.7(4) . . . . ?
B10D B6D B11D B8D 101.4(4) . . . . ?
B10D B6D B11D B9D 37.7(3) . . . . ?
B10D B9D B11D Cl13 109.8(4) . . . . ?
B10D B9D B11D B6D -37.5(3) . . . . ?
B10D B9D B11D B7D -101.0(4) . . . . ?
B10D B9D B11D B8D -138.4(4) . . . . ?
B11D B6D B7D Cl7D -111.3(4) . . . . ?
B11D B6D B7D B2D 137.6(4) . . . . ?
B11D B6D B7D B3D 100.5(4) . . . . ?
B11D B6D B7D B8D 37.3(3) . . . . ?
B11D B6D B10D Cl12 112.9(4) . . . . ?
B11D B6D B10D B1D -137.6(4) . . . . ?
B11D B6D B10D B5D -100.0(4) . . . . ?
B11D B6D B10D B9D -37.3(3) . . . . ?
B11D B7D B8D Cl8D -113.1(4) . . . . ?
B11D B7D B8D B3D 137.6(4) . . . . ?
B11D B7D B8D B4D 100.4(4) . . . . ?
B11D B7D B8D B9D 37.4(3) . . . . ?
B11D B8D B9D Cl9D -110.8(4) . . . . ?
B11D B8D B9D B4D 138.2(4) . . . . ?
B11D B8D B9D B5D 100.5(4) . . . . ?
B11D B8D B9D B10D 37.2(3) . . . . ?
B11D B9D B10D Cl12 -112.2(4) . . . . ?
B11D B9D B10D B1D 100.2(4) . . . . ?
B11D B9D B10D B5D 138.3(4) . . . . ?
B11D B9D B10D B6D 37.6(3) . . . . ?
S1 N1 S2A C5 31(3) . . . . ?
S1 N1 S2A O3A -69(4) . . . . ?
S1 N1 S2A O4A 171(3) . . . . ?
O1 S1 N1 S2 160.0(3) . . . . ?
O1 S1 N1 S2A 95(2) . . . . ?
O1 S1 C4 F1 -71.7(5) . . . . ?
O1 S1 C4 F2 169.2(5) . . . . ?
O1 S1 C4 F3 48.0(4) . . . . ?
O2 S1 O1 Si1 -40.6(5) . . . . ?
O2 S1 N1 S2 29.0(5) . . . . ?
O2 S1 N1 S2A -36(2) . . . . ?
O2 S1 C4 F1 53.0(5) . . . . ?
O2 S1 C4 F2 -66.0(5) . . . . ?
O2 S1 C4 F3 172.8(4) . . . . ?
O3 S2 O4 Si2 78.4(7) . . . . ?
O3 S2 N1 S1 31.4(6) . . . . ?
O3 S2 C5 F4 -56.3(5) . . . . ?
O3 S2 C5 F5 64.9(7) . . . . ?
O3 S2 C5 F6 -174.7(5) . . . . ?
O4 S2 N1 S1 164.2(4) . . . . ?
O4 S2 C5 F4 -177.4(5) . . . . ?
O4 S2 C5 F5 -56.2(7) . . . . ?
O4 S2 C5 F6 64.1(5) . . . . ?
N1 S1 O1 Si1 -172.7(4) . . . . ?
N1 S1 C4 F1 -178.6(4) . . . . ?
N1 S1 C4 F2 62.3(6) . . . . ?
N1 S1 C4 F3 -58.9(4) . . . . ?
N1 S2 O4 Si2 -55.4(7) . . . . ?
N1 S2 C5 F4 72.1(5) . . . . ?
N1 S2 C5 F5 -166.7(6) . . . . ?
N1 S2 C5 F6 -46.4(5) . . . . ?
N1 S2A O4A Si2 -13(10) . . . . ?
C1 Si1 O1 S1 148.6(4) . . . . ?
C2 Si1 O1 S1 26.7(4) . . . . ?
C3 Si1 O1 S1 -92.9(4) . . . . ?
C4 S1 O1 Si1 77.4(4) . . . . ?
C4 S1 N1 S2 -92.0(4) . . . . ?
C4 S1 N1 S2A -157(2) . . . . ?
C5 S2 O4 Si2 -167.1(6) . . . . ?
C5 S2 N1 S1 -90.9(5) . . . . ?
C5 S2A O4A Si2 133(7) . . . . ?
C6 Si2 O4 S2 0.8(7) . . . . ?
C6 Si2 O4A S2A 13(8) . . . . ?
C7 Si2 O4 S2 -119.9(7) . . . . ?
C7 Si2 O4A S2A -120(7) . . . . ?
C8 Si2 O4 S2 122.6(7) . . . . ?
C8 Si2 O4A S2A 127(8) . . . . ?
S1P N1P S2Q O4P 134.7(11) . . . . ?
S1P N1P S2Q C5P -13(4) . . . . ?
S1P N1P S2Q O3Q -94(3) . . . . ?
Si2P O4P S2Q N1P 43(3) . . . . ?
Si2P O4P S2Q C5P -161.3(5) . . . . ?
Si2P O4P S2Q O3Q -73(3) . . . . ?
F4P C5P S2Q O4P -151.3(9) . . . . ?
F4P C5P S2Q N1P 3(3) . . . . ?
F4P C5P S2Q O3Q 86(2) . . . . ?
F5P C5P S2Q O4P -7.7(18) . . . . ?
F5P C5P S2Q N1P 146.3(18) . . . . ?
F5P C5P S2Q O3Q -130(2) . . . . ?
F6P C5P S2Q O4P 100.8(12) . . . . ?
F6P C5P S2Q N1P -105(2) . . . . ?
F6P C5P S2Q O3Q -22(2) . . . . ?
O1P S1P N1P S2P 157.3(3) . . . . ?
O1P S1P N1P S2Q 118(2) . . . . ?
O1P S1P C4P F1P -71.7(5) . . . . ?
O1P S1P C4P F2P 169.1(4) . . . . ?
O1P S1P C4P F3P 48.0(5) . . . . ?
O2P S1P O1P Si1P -45.4(5) . . . . ?
O2P S1P N1P S2P 26.7(5) . . . . ?
O2P S1P N1P S2Q -12(2) . . . . ?
O2P S1P C4P F1P 52.1(5) . . . . ?
O2P S1P C4P F2P -67.1(5) . . . . ?
O2P S1P C4P F3P 171.8(4) . . . . ?
O3P S2P O4P Si2P 85.6(6) . . . . ?
O3P S2P N1P S1P 29.8(5) . . . . ?
O3P S2P C5P F4P -59.9(5) . . . . ?
O3P S2P C5P F5P 60.4(5) . . . . ?
O3P S2P C5P F6P -179.1(4) . . . . ?
O4P S2P N1P S1P 162.7(3) . . . . ?
O4P S2P C5P F4P 178.0(4) . . . . ?
O4P S2P C5P F5P -61.7(5) . . . . ?
O4P S2P C5P F6P 58.7(4) . . . . ?
N1P S1P O1P Si1P -177.2(4) . . . . ?
N1P S1P C4P F1P 179.5(4) . . . . ?
N1P S1P C4P F2P 60.3(5) . . . . ?
N1P S1P C4P F3P -60.8(5) . . . . ?
N1P S2P O4P Si2P -48.5(6) . . . . ?
N1P S2P C5P F4P 68.7(4) . . . . ?
N1P S2P C5P F5P -171.0(4) . . . . ?
N1P S2P C5P F6P -50.6(5) . . . . ?
C1P Si1P O1P S1P 153.2(4) . . . . ?
C2P Si1P O1P S1P 32.4(5) . . . . ?
C3P Si1P O1P S1P -87.7(4) . . . . ?
C4P S1P O1P Si1P 72.3(5) . . . . ?
C4P S1P N1P S2P -93.8(4) . . . . ?
C4P S1P N1P S2Q -133(2) . . . . ?
C5P S2P O4P Si2P -158.4(5) . . . . ?
C5P S2P N1P S1P -92.4(4) . . . . ?
C6P Si2P O4P S2P -6.7(6) . . . . ?
C6P Si2P O4P S2Q -53.1(13) . . . . ?
C7P Si2P O4P S2P -126.4(5) . . . . ?
C7P Si2P O4P S2Q -172.8(13) . . . . ?
C8P Si2P O4P S2P 114.6(6) . . . . ?
C8P Si2P O4P S2Q 68.2(13) . . . . ?
O3A S2A O4A Si2 -129(7) . . . . ?

_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder'
_olex2_submission_original_sample_id OOB_JD_240729_SDc_OZ680_fluo2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_diffrn_reflns_filtered   33205
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.397
_oxdiff_exptl_absorpt_empirical_full_min 0.365
