#------------------------------------------------------------------------------
#$Date: 2019-11-24 06:31:12 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236963 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/77/4087737.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4087737
loop_
_publ_author_name
'Großekappenberg, Henning'
'Reißmann, Matti'
'Schmidtmann, Marc'
'Müller, Thomas'
_publ_section_title
;
 Quantitative Assessment of the Lewis Acidity of Silylium Ions
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4952
_journal_paper_doi               10.1021/acs.organomet.5b00556
_journal_volume                  34
_journal_year                    2015
_chemical_formula_structural     '[(C11H15)3SiOP(C6H5)3] [Al(OC(CF3)3)4]'
_chemical_formula_sum            'C67 H60 Al F36 O5 P Si'
_chemical_formula_weight         1715.19
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.7478(12)
_cell_length_b                   15.7478(12)
_cell_length_c                   51.824(5)
_cell_measurement_reflns_used    9793
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.23
_cell_measurement_theta_min      2.17
_cell_volume                     11130.2(16)
_computing_cell_refinement       'Bruker SAINT V8.34A'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT V8.34A'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       72
_diffrn_reflns_limit_l_min       -72
_diffrn_reflns_number            127366
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.024
_diffrn_reflns_theta_min         1.544
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/3 (Sheldrick)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       block
_exptl_crystal_F_000             5208
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         2.859
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         7253
_refine_ls_number_restraints     432
_refine_ls_restrained_S_all      1.312
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.1013
_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)+(0.1000P)²+60.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2573
_refine_ls_wR_factor_ref         0.2797
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5585
_reflns_number_total             7253
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00556_si_002.cif
_cod_data_source_block           hg62
_cod_original_cell_volume        11130(2)
_cod_database_code               4087737
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.941
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
P1 P 1.0000 1.0000 0.55597(2) 0.0212(2) Uani 1 3 d S T P . .
Si1 Si 1.0000 1.0000 0.61885(2) 0.0267(3) Uani 1 3 d S T P . .
O1 O 1.0000 1.0000 0.58552(6) 0.0275(7) Uani 1 3 d S T P . .
C1 C 0.91393(18) 0.88046(18) 0.54455(5) 0.0232(5) Uani 1 1 d . . . . .
C2 C 0.83906(19) 0.8654(2) 0.52743(5) 0.0261(5) Uani 1 1 d . . . . .
H2 H 0.8343 0.9197 0.5212 0.031 Uiso 1 1 calc R U . . .
C3 C 0.7715(2) 0.7707(2) 0.51952(6) 0.0315(6) Uani 1 1 d . . . . .
H3 H 0.7199 0.7599 0.5081 0.038 Uiso 1 1 calc R U . . .
C4 C 0.7798(2) 0.6918(2) 0.52840(6) 0.0353(6) Uani 1 1 d . . . . .
H4 H 0.7338 0.6272 0.5230 0.042 Uiso 1 1 calc R U . . .
C5 C 0.8550(2) 0.7068(2) 0.54516(7) 0.0345(6) Uani 1 1 d . . . . .
H5 H 0.8607 0.6525 0.5509 0.041 Uiso 1 1 calc R U . . .
C6 C 0.9217(2) 0.8004(2) 0.55352(6) 0.0291(5) Uani 1 1 d . . . . .
H6 H 0.9724 0.8105 0.5652 0.035 Uiso 1 1 calc R U . . .
C7 C 0.9308(2) 0.8643(2) 0.62613(5) 0.0301(6) Uani 1 1 d . . . . .
C8 C 0.8423(2) 0.8015(2) 0.61305(5) 0.0303(6) Uani 1 1 d . . . . .
C9 C 0.8033(2) 0.6994(2) 0.61344(6) 0.0375(7) Uani 1 1 d . . . . .
C10 C 0.8543(3) 0.6594(2) 0.62572(6) 0.0393(7) Uani 1 1 d . . . . .
C11 C 0.9374(3) 0.7198(3) 0.64068(6) 0.0386(7) Uani 1 1 d . . . . .
C12 C 0.9727(2) 0.8209(2) 0.64180(6) 0.0348(6) Uani 1 1 d . . . . .
C13 C 0.7835(2) 0.8404(2) 0.59952(6) 0.0340(6) Uani 1 1 d . . . . .
H13A H 0.7209 0.8171 0.6085 0.051 Uiso 1 1 calc R U . . .
H13B H 0.7711 0.8170 0.5816 0.051 Uiso 1 1 calc R U . . .
H13C H 0.8204 0.9122 0.5997 0.051 Uiso 1 1 calc R U . . .
C14 C 0.7051(3) 0.6331(3) 0.60081(8) 0.0547(10) Uani 1 1 d . . . . .
H14A H 0.6800 0.5655 0.6066 0.082 Uiso 1 1 calc R U . . .
H14B H 0.7131 0.6362 0.5820 0.082 Uiso 1 1 calc R U . . .
H14C H 0.6586 0.6546 0.6056 0.082 Uiso 1 1 calc R U . . .
C15 C 0.8189(4) 0.5508(3) 0.62388(9) 0.0592(11) Uani 1 1 d . . . . .
H15A H 0.8717 0.5413 0.6171 0.089 Uiso 1 1 calc R U . . .
H15B H 0.7622 0.5196 0.6123 0.089 Uiso 1 1 calc R U . . .
H15C H 0.8000 0.5212 0.6411 0.089 Uiso 1 1 calc R U . . .
C16 C 0.9885(3) 0.6754(3) 0.65558(8) 0.0519(9) Uani 1 1 d . . . . .
H16A H 1.0564 0.7261 0.6591 0.078 Uiso 1 1 calc R U . . .
H16B H 0.9881 0.6228 0.6453 0.078 Uiso 1 1 calc R U . . .
H16C H 0.9541 0.6484 0.6719 0.078 Uiso 1 1 calc R U . . .
C17 C 1.0536(3) 0.8817(3) 0.66079(7) 0.0487(9) Uani 1 1 d . . . . .
H17A H 1.1165 0.8932 0.6539 0.073 Uiso 1 1 calc R U . . .
H17B H 1.0402 0.8466 0.6772 0.073 Uiso 1 1 calc R U . . .
H17C H 1.0566 0.9447 0.6635 0.073 Uiso 1 1 calc R U . . .
Al1A Al 0.6667 0.3333 0.46159(5) 0.0351(5) Uani 0.706(3) 3 d S TU P A 1
F1A F 0.5033(5) 0.3067(6) 0.52346(18) 0.0498(18) Uani 0.3532(14) 1 d . U P A 1
F2A F 0.6219(7) 0.4475(7) 0.5355(3) 0.080(3) Uani 0.3532(14) 1 d . U P A 1
F3A F 0.5871(8) 0.3249(11) 0.5594(2) 0.100(3) Uani 0.3532(14) 1 d . U P A 1
F4A F 0.7626(3) 0.6628(3) 0.45198(13) 0.0885(15) Uani 0.706(3) 1 d . U P A 1
F5A F 0.8124(3) 0.5750(3) 0.43328(9) 0.0694(11) Uani 0.706(3) 1 d . U P A 1
F6A F 0.7711(3) 0.5586(3) 0.47385(9) 0.0726(12) Uani 0.706(3) 1 d . U P A 1
F7A F 0.5893(5) 0.5490(6) 0.47856(18) 0.137(3) Uani 0.706(3) 1 d . U P A 1
F8A F 0.4777(3) 0.4356(3) 0.45682(13) 0.0754(14) Uani 0.706(3) 1 d . U P A 1
F9A F 0.5655(8) 0.5887(7) 0.4372(2) 0.184(4) Uani 0.706(3) 1 d . U P A 1
F10A F 0.5358(8) 0.4395(10) 0.4069(2) 0.175(4) Uani 0.706(3) 1 d . U P A 1
F11A F 0.6649(9) 0.4253(10) 0.40387(17) 0.203(4) Uani 0.706(3) 1 d . U P A 1
F12A F 0.6864(6) 0.5811(8) 0.40235(14) 0.155(3) Uani 0.706(3) 1 d . U P A 1
O2A O 0.6559(14) 0.3540(12) 0.4941(2) 0.037(2) Uani 0.2355(10) 1 d . U P A 1
O3A O 0.6345(5) 0.4145(4) 0.45139(15) 0.0750(17) Uani 0.706(3) 1 d . U P A 1
C18A C 0.6667 0.3333 0.51959(16) 0.0319(13) Uani 0.706(3) 3 d S TU P A 1
C19A C 0.5963(14) 0.3544(14) 0.5340(3) 0.053(3) Uani 0.3532(14) 1 d . U P A 1
C20A C 0.6366(3) 0.4930(3) 0.44199(9) 0.0521(9) Uani 0.706(3) 1 d . U P A 1
C21A C 0.7482(5) 0.5772(5) 0.44923(16) 0.0563(14) Uani 0.706(3) 1 d . U P A 1
C22A C 0.5632(7) 0.5088(7) 0.4575(3) 0.103(3) Uani 0.706(3) 1 d . U P A 1
C23A C 0.6354(11) 0.4905(13) 0.4118(3) 0.127(3) Uani 0.706(3) 1 d . U P A 1
F1C F 0.5136(6) 0.3084(7) 0.5076(3) 0.078(3) Uani 0.3532(14) 1 d . U P A 3
F2C F 0.6150(5) 0.4510(4) 0.51913(16) 0.0433(15) Uani 0.3532(14) 1 d . U P A 3
F3C F 0.5517(10) 0.3369(10) 0.5476(3) 0.109(4) Uani 0.3532(14) 1 d . U P A 3
C19C C 0.5847(10) 0.3581(11) 0.5256(4) 0.050(3) Uani 0.3532(14) 1 d . U P A 3
Al1B Al 0.6667 0.3333 0.42255(10) 0.0248(10) Uani 0.294(3) 3 d S TU P A 2
F1B F 0.7500(10) 0.4404(9) 0.3315(3) 0.094(3) Uani 0.294(3) 1 d . U P A 2
F2B F 0.8357(9) 0.4053(10) 0.3562(3) 0.106(4) Uani 0.294(3) 1 d . U P A 2
F3B F 0.7884(9) 0.5060(10) 0.3663(3) 0.111(4) Uani 0.294(3) 1 d . U P A 2
F4B F 0.6323(12) 0.6296(8) 0.4226(3) 0.089(3) Uani 0.264(3) 1 d . U P A 2
F5B F 0.5343(11) 0.4891(10) 0.4071(4) 0.083(4) Uani 0.264(3) 1 d . U P A 2
F6B F 0.6312(15) 0.5140(13) 0.3956(4) 0.101(4) Uani 0.264(3) 1 d . U P A 2
F7B F 0.7343(12) 0.6518(10) 0.4335(4) 0.101(4) Uani 0.264(3) 1 d . U P A 2
F8B F 0.7529(13) 0.5974(13) 0.4647(4) 0.102(4) Uani 0.264(3) 1 d . U P A 2
F9B F 0.6203(15) 0.5878(13) 0.4733(4) 0.092(4) Uani 0.264(3) 1 d . U P A 2
F10B F 0.5813(11) 0.4263(11) 0.4819(3) 0.106(4) Uani 0.264(3) 1 d . U P A 2
F11B F 0.4879(14) 0.3981(16) 0.4690(4) 0.122(5) Uani 0.264(3) 1 d . U P A 2
F12B F 0.4682(11) 0.3484(11) 0.4280(4) 0.113(5) Uani 0.264(3) 1 d . U P A 2
F13B F 0.4672(10) 0.4782(12) 0.4418(4) 0.105(4) Uani 0.264(3) 1 d . U P A 2
O2B O 0.6984(15) 0.355(2) 0.3906(4) 0.037(5) Uani 0.0978(10) 1 d . U P A 2
O3B O 0.6347(10) 0.4129(9) 0.4362(3) 0.063(3) Uani 0.294(3) 1 d . U P A 2
C18B C 0.6667 0.3333 0.3645(5) 0.054(4) Uani 0.294(3) 3 d S TU P A 2
C19B C 0.7640(14) 0.4210(14) 0.3538(4) 0.073(3) Uani 0.294(3) 1 d . U P A 2
C20B C 0.6366(3) 0.4930(3) 0.44199(9) 0.0521(9) Uani 0.294(3) 1 d . U P A 2
C21B C 0.6153(12) 0.5415(13) 0.4189(4) 0.049(3) Uani 0.220(2) 1 d . U P A 2
C22B C 0.673(2) 0.5854(17) 0.4481(6) 0.077(3) Uani 0.220(2) 1 d . U P A 2
C23B C 0.576(2) 0.475(2) 0.4664(6) 0.074(3) Uani 0.220(2) 1 d . U P A 2
C24B C 0.505(2) 0.427(2) 0.4454(7) 0.078(4) Uani 0.220(2) 1 d . U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 P1 C1 109.38(9) . 2_765
O1 P1 C1 109.38(9) . 3_675
C1 P1 C1 109.56(9) 2_765 3_675
O1 P1 C1 109.38(9) . .
C1 P1 C1 109.56(9) 2_765 .
C1 P1 C1 109.56(9) 3_675 .
O1 Si1 C7 101.52(9) . 2_765
O1 Si1 C7 101.52(9) . .
C7 Si1 C7 116.12(6) 2_765 .
O1 Si1 C7 101.52(9) . 3_675
C7 Si1 C7 116.11(6) 2_765 3_675
C7 Si1 C7 116.11(6) . 3_675
P1 O1 Si1 180.0 . .
C2 C1 C6 120.2(2) . .
C2 C1 P1 121.4(2) . .
C6 C1 P1 118.4(2) . .
C3 C2 C1 119.7(3) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C4 C3 C2 119.8(3) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 120.5(3) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C6 C5 C4 120.3(3) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C1 119.5(3) . .
C5 C6 H6 120.3 . .
C1 C6 H6 120.3 . .
C8 C7 C12 118.1(3) . .
C8 C7 Si1 120.3(2) . .
C12 C7 Si1 121.0(2) . .
C9 C8 C7 120.5(3) . .
C9 C8 C13 117.6(3) . .
C7 C8 C13 121.8(3) . .
C10 C9 C8 120.1(3) . .
C10 C9 C14 120.3(3) . .
C8 C9 C14 119.6(3) . .
C9 C10 C11 119.8(3) . .
C9 C10 C15 120.7(4) . .
C11 C10 C15 119.5(3) . .
C12 C11 C10 120.0(3) . .
C12 C11 C16 120.2(3) . .
C10 C11 C16 119.9(3) . .
C11 C12 C7 120.5(3) . .
C11 C12 C17 118.5(3) . .
C7 C12 C17 121.0(3) . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C9 C14 H14A 109.5 . .
C9 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C9 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O3A Al1A O3A 110.6(3) 3_665 2_655
O3A Al1A O3A 110.6(3) 3_665 .
O3A Al1A O3A 110.6(3) 2_655 .
O3A Al1A O2A 93.9(4) 3_665 3_665
O3A Al1A O2A 115.9(7) 2_655 3_665
O3A Al1A O2A 114.2(7) . 3_665
O3A Al1A O2A 114.2(7) 3_665 2_655
O3A Al1A O2A 93.9(4) 2_655 2_655
O3A Al1A O2A 115.9(7) . 2_655
O2A Al1A O2A 25.0(4) 3_665 2_655
O3A Al1A O2A 115.9(7) 3_665 .
O3A Al1A O2A 114.2(7) 2_655 .
O3A Al1A O2A 93.9(4) . .
O2A Al1A O2A 25.0(4) 3_665 .
O2A Al1A O2A 25.0(4) 2_655 .
O2A O2A O2A 60.00(3) 3_665 2_655
O2A O2A C18A 74.3(3) 3_665 .
O2A O2A C18A 74.3(3) 2_655 .
O2A O2A Al1A 77.5(2) 3_665 .
O2A O2A Al1A 77.5(2) 2_655 .
C18A O2A Al1A 147.3(6) . .
C20A O3A Al1A 163.4(6) . .
O2A C18A O2A 31.5(6) 3_665 2_655
O2A C18A O2A 31.5(6) 3_665 .
O2A C18A O2A 31.5(6) 2_655 .
O2A C18A C19A 118.9(11) 3_665 2_655
O2A C18A C19A 103.4(8) 2_655 2_655
O2A C18A C19A 134.6(9) . 2_655
O2A C18A C19A 103.4(8) 3_665 3_665
O2A C18A C19A 134.6(9) 2_655 3_665
O2A C18A C19A 118.9(11) . 3_665
C19A C18A C19A 97.4(9) 2_655 3_665
O2A C18A C19A 134.6(9) 3_665 .
O2A C18A C19A 118.9(11) 2_655 .
O2A C18A C19A 103.4(8) . .
C19A C18A C19A 97.4(9) 2_655 .
C19A C18A C19A 97.4(9) 3_665 .
F2A C19A F3A 103.9(16) . .
F2A C19A F1A 106.3(13) . .
F3A C19A F1A 106.9(14) . .
F2A C19A C18A 115.3(13) . .
F3A C19A C18A 111.4(13) . .
F1A C19A C18A 112.4(13) . .
O3A C20A C22A 107.0(7) . .
O3A C20A C23A 110.6(8) . .
C22A C20A C23A 122.1(9) . .
O3A C20A C21A 100.9(5) . .
C22A C20A C21A 110.0(5) . .
C23A C20A C21A 104.2(7) . .
F4A C21A F5A 111.6(6) . .
F4A C21A F6A 101.2(7) . .
F5A C21A F6A 106.5(6) . .
F4A C21A C20A 116.2(6) . .
F5A C21A C20A 111.3(6) . .
F6A C21A C20A 109.1(4) . .
F7A C22A F8A 115.4(11) . .
F7A C22A C20A 118.0(9) . .
F8A C22A C20A 112.6(7) . .
F7A C22A F9A 107.7(9) . .
F8A C22A F9A 106.8(10) . .
C20A C22A F9A 93.3(8) . .
F12A C23A F10A 117.1(13) . .
F12A C23A F11A 116.0(14) . .
F10A C23A F11A 102.7(14) . .
F12A C23A C20A 110.4(12) . .
F10A C23A C20A 101.2(11) . .
F11A C23A C20A 108.2(11) . .
F3C C19C F2C 113.8(14) . .
F3C C19C F1C 111.4(13) . .
F2C C19C F1C 101.4(12) . .
O2B Al1B O2B 25.8(11) . 3_665
O2B Al1B O2B 25.8(11) . 2_655
O2B Al1B O2B 25.8(11) 3_665 2_655
O2B Al1B O3B 100.7(10) . 3_665
O2B Al1B O3B 114.8(15) 3_665 3_665
O2B Al1B O3B 126.2(11) 2_655 3_665
O2B Al1B O3B 126.2(12) . 2_655
O2B Al1B O3B 100.7(10) 3_665 2_655
O2B Al1B O3B 114.8(15) 2_655 2_655
O3B Al1B O3B 104.2(7) 3_665 2_655
O2B Al1B O3B 114.8(15) . .
O2B Al1B O3B 126.2(11) 3_665 .
O2B Al1B O3B 100.7(10) 2_655 .
O3B Al1B O3B 104.2(7) 3_665 .
O3B Al1B O3B 104.2(7) 2_655 .
C19B F1B F2B 155.2(17) . 18_545
C19B F1B C19B 145.1(18) . 18_545
F2B F1B C19B 52.9(11) 18_545 18_545
C19B F1B F1B 97.7(15) . 18_545
F2B F1B F1B 91.8(13) 18_545 18_545
C19B F1B F1B 48.7(10) 18_545 18_545
C19B F1B F1B 62.0(13) . 17
F2B F1B F1B 131.6(16) 18_545 17
C19B F1B F1B 120.5(12) 18_545 17
F1B F1B F1B 118.6(4) 18_545 17
C19B F2B F1B 65.6(13) . 17
C21B F4B F7B 86.1(12) . .
C21B F4B C22B 66.8(13) . .
F7B F4B C22B 44.1(11) . .
C21B F5B F6B 57.5(14) . .
C21B F6B F5B 53.1(12) . .
C22B F7B F4B 75.9(16) . .
C22B F9B C23B 74.2(17) . .
C23B F10B F11B 59.0(18) . .
C24B F11B C23B 69(2) . .
C24B F11B F10B 109.2(19) . .
C23B F11B F10B 48.2(15) . .
O2B O2B O2B 60.00(2) 2_655 3_665
O2B O2B C18B 74.4(7) 2_655 .
O2B O2B C18B 74.4(7) 3_665 .
O2B O2B Al1B 77.1(5) 2_655 .
O2B O2B Al1B 77.1(5) 3_665 .
C18B O2B Al1B 147.0(13) . .
C20B O3B Al1B 160.3(11) . .
O2B C18B O2B 31.1(14) . 3_665
O2B C18B O2B 31.1(14) . 2_655
O2B C18B O2B 31.1(14) 3_665 2_655
O2B C18B C19B 115(2) . 3_665
O2B C18B C19B 93.2(13) 3_665 3_665
O2B C18B C19B 122.5(19) 2_655 3_665
O2B C18B C19B 93.2(13) . .
O2B C18B C19B 122.5(19) 3_665 .
O2B C18B C19B 115(2) 2_655 .
C19B C18B C19B 108.1(12) 3_665 .
O2B C18B C19B 122.5(19) . 2_655
O2B C18B C19B 115(2) 3_665 2_655
O2B C18B C19B 93.2(13) 2_655 2_655
C19B C18B C19B 108.1(12) 3_665 2_655
C19B C18B C19B 108.1(12) . 2_655
F1B C19B F2B 114.9(18) . .
F1B C19B F3B 101.4(17) . .
F2B C19B F3B 107.6(17) . .
F1B C19B F1B 69.3(12) . 17
F2B C19B F1B 61.5(12) . 17
F3B C19B F1B 157.0(17) . 17
F1B C19B C18B 109.4(17) . .
F2B C19B C18B 111.5(14) . .
F3B C19B C18B 111.8(16) . .
F1B C19B C18B 91.2(14) 17 .
O3B C20B C22B 158.8(15) . .
O3B C20B C23B 108.0(13) . .
C22B C20B C23B 83.5(17) . .
O3B C20B C21B 113.7(12) . .
C22B C20B C21B 73.8(15) . .
C23B C20B C21B 117.6(14) . .
O3B C20B C24B 89.9(12) . .
C22B C20B C24B 110.9(17) . .
C23B C20B C24B 51.7(17) . .
C21B C20B C24B 83.8(13) . .
F5B C21B F4B 111.5(15) . .
F5B C21B F6B 69.5(17) . .
F4B C21B F6B 120.3(18) . .
F5B C21B C20B 116.5(14) . .
F4B C21B C20B 116.0(17) . .
F6B C21B C20B 114.6(15) . .
F5B C21B C22B 147(2) . .
F4B C21B C22B 69.7(14) . .
F6B C21B C22B 140.6(18) . .
C20B C21B C22B 46.9(10) . .
F7B C22B C20B 120(3) . .
F7B C22B F8B 90(2) . .
C20B C22B F8B 98.9(18) . .
F7B C22B F9B 133(2) . .
C20B C22B F9B 106.7(19) . .
F8B C22B F9B 86.4(19) . .
F7B C22B C21B 80.6(19) . .
C20B C22B C21B 59.4(12) . .
F8B C22B C21B 145(2) . .
F9B C22B C21B 125(2) . .
F7B C22B F4B 60.0(15) . .
C20B C22B F4B 102.4(18) . .
F8B C22B F4B 149(2) . .
F9B C22B F4B 108.6(19) . .
C21B C22B F4B 43.5(10) . .
F7B C22B C23B 173(2) . .
C20B C22B C23B 53.1(13) . .
F8B C22B C23B 94.1(19) . .
F9B C22B C23B 53.6(14) . .
C21B C22B C23B 92.9(17) . .
F4B C22B C23B 117.0(19) . .
F10B C23B F11B 73(2) . .
F10B C23B C24B 117(3) . .
F11B C23B C24B 54.3(19) . .
F10B C23B C20B 117(2) . .
F11B C23B C20B 122(2) . .
C24B C23B C20B 74(2) . .
F10B C23B F9B 117(3) . .
F11B C23B F9B 133(3) . .
C24B C23B F9B 123(2) . .
C20B C23B F9B 95.6(18) . .
F10B C23B C22B 132(3) . .
F11B C23B C22B 153(3) . .
C24B C23B C22B 99(2) . .
C20B C23B C22B 43.4(11) . .
F9B C23B C22B 52.2(14) . .
F13B C24B F11B 107(3) . .
F13B C24B F12B 111(3) . .
F11B C24B F12B 113(2) . .
F13B C24B C23B 105(3) . .
F11B C24B C23B 57(2) . .
F12B C24B C23B 144(3) . .
F13B C24B C20B 113.2(19) . .
F11B C24B C20B 106(2) . .
F12B C24B C20B 107(2) . .
C23B C24B C20B 54.2(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 O1 1.531(3) .
P1 C1 1.783(3) 2_765
P1 C1 1.783(3) 3_675
P1 C1 1.783(3) .
Si1 O1 1.727(3) .
Si1 C7 1.889(3) 2_765
Si1 C7 1.889(3) .
Si1 C7 1.889(3) 3_675
C1 C2 1.398(4) .
C1 C6 1.405(4) .
C2 C3 1.393(4) .
C2 H2 0.9500 .
C3 C4 1.391(4) .
C3 H3 0.9500 .
C4 C5 1.390(5) .
C4 H4 0.9500 .
C5 C6 1.385(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.415(4) .
C7 C12 1.419(4) .
C8 C9 1.405(4) .
C8 C13 1.515(4) .
C9 C10 1.397(5) .
C9 C14 1.515(5) .
C10 C11 1.404(5) .
C10 C15 1.513(5) .
C11 C12 1.400(5) .
C11 C16 1.516(5) .
C12 C17 1.513(5) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
Al1A O3A 1.679(5) 3_665
Al1A O3A 1.679(5) 2_655
Al1A O3A 1.679(5) .
Al1A O2A 1.741(11) 3_665
Al1A O2A 1.741(11) 2_655
Al1A O2A 1.741(11) .
F1A C19A 1.38(2) .
F2A C19A 1.31(2) .
F3A C19A 1.377(19) .
F4A C21A 1.258(9) .
F5A C21A 1.320(8) .
F6A C21A 1.396(9) .
F7A C22A 1.223(15) .
F8A C22A 1.262(10) .
F9A C22A 1.629(17) .
F10A C23A 1.382(17) .
F11A C23A 1.385(18) .
F12A C23A 1.332(19) .
O2A O2A 0.754(13) 3_665
O2A O2A 0.754(13) 2_655
O2A C18A 1.390(12) .
O3A C20A 1.314(6) .
C18A O2A 1.390(12) 3_665
C18A O2A 1.390(12) 2_655
C18A C19A 1.505(19) 2_655
C18A C19A 1.50(2) 3_665
C18A C19A 1.505(19) .
C18A C19C 1.555(13) .
C20A C22A 1.527(11) .
C20A C23A 1.564(16) .
C20A C21A 1.630(8) .
F1C C19C 1.36(2) .
F2C C19C 1.336(14) .
F3C C19C 1.23(2) .
Al1B O2B 1.71(2) .
Al1B O2B 1.71(2) 3_665
Al1B O2B 1.71(2) 2_655
Al1B O3B 1.721(12) 3_665
Al1B O3B 1.721(12) 2_655
Al1B O3B 1.721(12) .
F1B C19B 1.24(2) .
F1B F2B 1.407(19) 18_545
F1B C19B 1.46(3) 18_545
F1B F1B 1.545(12) 18_545
F1B F1B 1.546(11) 17
F2B C19B 1.28(2) .
F2B F1B 1.407(19) 17
F3B C19B 1.36(2) .
F4B C21B 1.29(2) .
F4B F7B 1.57(2) .
F4B C22B 1.76(3) .
F5B C21B 1.28(2) .
F5B F6B 1.50(3) .
F6B C21B 1.35(3) .
F7B C22B 1.26(3) .
F8B C22B 1.46(3) .
F9B C22B 1.56(4) .
F9B C23B 1.58(3) .
F10B C23B 1.15(3) .
F10B F11B 1.47(3) .
F11B C24B 1.28(4) .
F11B C23B 1.32(3) .
F12B C24B 1.40(4) .
F13B C24B 1.23(3) .
O2B O2B 0.76(3) 2_655
O2B O2B 0.76(3) 3_665
O2B C18B 1.42(3) .
O3B C20B 1.282(12) .
C18B O2B 1.42(3) 3_665
C18B O2B 1.42(3) 2_655
C18B C19B 1.564(19) 3_665
C18B C19B 1.564(19) .
C18B C19B 1.564(19) 2_655
C19B F1B 1.46(3) 17
C20B C22B 1.31(2) .
C20B C23B 1.52(3) .
C20B C21B 1.543(19) .
C20B C24B 1.81(3) .
C21B C22B 1.72(4) .
C22B C23B 1.89(4) .
C23B C24B 1.48(5) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 P1 C1 C2 125.0(2) . .
C1 P1 C1 C2 -115.11(15) 2_765 .
C1 P1 C1 C2 5.1(3) 3_675 .
O1 P1 C1 C6 -53.9(2) . .
C1 P1 C1 C6 66.0(3) 2_765 .
C1 P1 C1 C6 -173.80(19) 3_675 .
C6 C1 C2 C3 0.7(4) . .
P1 C1 C2 C3 -178.2(2) . .
C1 C2 C3 C4 -0.9(4) . .
C2 C3 C4 C5 0.1(5) . .
C3 C4 C5 C6 1.0(5) . .
C4 C5 C6 C1 -1.2(5) . .
C2 C1 C6 C5 0.3(4) . .
P1 C1 C6 C5 179.2(2) . .
O1 Si1 C7 C8 -46.7(2) . .
C7 Si1 C7 C8 -155.8(2) 2_765 .
C7 Si1 C7 C8 62.4(3) 3_675 .
O1 Si1 C7 C12 124.0(2) . .
C7 Si1 C7 C12 14.9(3) 2_765 .
C7 Si1 C7 C12 -126.94(18) 3_675 .
C12 C7 C8 C9 -6.7(4) . .
Si1 C7 C8 C9 164.3(2) . .
C12 C7 C8 C13 169.8(3) . .
Si1 C7 C8 C13 -19.3(4) . .
C7 C8 C9 C10 -3.2(5) . .
C13 C8 C9 C10 -179.8(3) . .
C7 C8 C9 C14 176.0(3) . .
C13 C8 C9 C14 -0.6(5) . .
C8 C9 C10 C11 8.9(5) . .
C14 C9 C10 C11 -170.3(3) . .
C8 C9 C10 C15 -173.4(3) . .
C14 C9 C10 C15 7.4(5) . .
C9 C10 C11 C12 -4.4(5) . .
C15 C10 C11 C12 177.8(3) . .
C9 C10 C11 C16 175.6(3) . .
C15 C10 C11 C16 -2.2(5) . .
C10 C11 C12 C7 -5.7(5) . .
C16 C11 C12 C7 174.3(3) . .
C10 C11 C12 C17 172.0(3) . .
C16 C11 C12 C17 -8.0(5) . .
C8 C7 C12 C11 11.1(4) . .
Si1 C7 C12 C11 -159.8(2) . .
C8 C7 C12 C17 -166.5(3) . .
Si1 C7 C12 C17 22.6(4) . .
O3A Al1A O2A O2A -30(3) 3_665 3_665
O3A Al1A O2A O2A 100(3) 2_655 3_665
O3A Al1A O2A O2A -146(3) . 3_665
O2A Al1A O2A O2A 61.61(6) 2_655 3_665
O3A Al1A O2A O2A -92(3) 3_665 2_655
O3A Al1A O2A O2A 38(3) 2_655 2_655
O3A Al1A O2A O2A 153(3) . 2_655
O2A Al1A O2A O2A -61.61(5) 3_665 2_655
O3A Al1A O2A C18A -61(3) 3_665 .
O3A Al1A O2A C18A 69(3) 2_655 .
O3A Al1A O2A C18A -176(3) . .
O2A Al1A O2A C18A -30.81(3) 3_665 .
O2A Al1A O2A C18A 30.81(3) 2_655 .
O3A Al1A O3A C20A -14(2) 3_665 .
O3A Al1A O3A C20A -136.6(18) 2_655 .
O2A Al1A O3A C20A 91(2) 3_665 .
O2A Al1A O3A C20A 118(2) 2_655 .
O2A Al1A O3A C20A 106(2) . .
O2A O2A C18A O2A 62.59(11) 2_655 3_665
Al1A O2A C18A O2A 31.30(6) . 3_665
O2A O2A C18A O2A -62.59(10) 3_665 2_655
Al1A O2A C18A O2A -31.30(5) . 2_655
O2A O2A C18A C19A -72(3) 3_665 2_655
O2A O2A C18A C19A -10(3) 2_655 2_655
Al1A O2A C18A C19A -41(3) . 2_655
O2A O2A C18A C19A 67(3) 3_665 3_665
O2A O2A C18A C19A 129(3) 2_655 3_665
Al1A O2A C18A C19A 98(3) . 3_665
O2A O2A C18A C19A 173(3) 3_665 .
O2A O2A C18A C19A -124(2) 2_655 .
Al1A O2A C18A C19A -156(2) . .
O2A C18A C19A F2A -65(2) 3_665 .
O2A C18A C19A F2A -99.8(14) 2_655 .
O2A C18A C19A F2A -70.2(16) . .
C19A C18A C19A F2A 150.5(11) 2_655 .
C19A C18A C19A F2A 52(2) 3_665 .
O2A C18A C19A F3A 176.7(12) 3_665 .
O2A C18A C19A F3A 142.1(11) 2_655 .
O2A C18A C19A F3A 171.6(14) . .
C19A C18A C19A F3A 32.3(13) 2_655 .
C19A C18A C19A F3A -66.2(10) 3_665 .
O2A C18A C19A F1A 56.8(19) 3_665 .
O2A C18A C19A F1A 22.2(15) 2_655 .
O2A C18A C19A F1A 51.7(15) . .
C19A C18A C19A F1A -87.6(18) 2_655 .
C19A C18A C19A F1A 173.9(13) 3_665 .
Al1A O3A C20A C22A -143(2) . .
Al1A O3A C20A C23A 82(2) . .
Al1A O3A C20A C21A -28(2) . .
O3A C20A C21A F4A -153.5(7) . .
C22A C20A C21A F4A -40.8(10) . .
C23A C20A C21A F4A 91.7(10) . .
O3A C20A C21A F5A 77.2(7) . .
C22A C20A C21A F5A -170.0(7) . .
C23A C20A C21A F5A -37.5(9) . .
O3A C20A C21A F6A -40.0(7) . .
C22A C20A C21A F6A 72.7(8) . .
C23A C20A C21A F6A -154.8(8) . .
O3A C20A C22A F7A 80.7(12) . .
C23A C20A C22A F7A -150.4(13) . .
C21A C20A C22A F7A -28.0(13) . .
O3A C20A C22A F8A -57.5(12) . .
C23A C20A C22A F8A 71.3(14) . .
C21A C20A C22A F8A -166.3(9) . .
O3A C20A C22A F9A -167.2(6) . .
C23A C20A C22A F9A -38.4(11) . .
C21A C20A C22A F9A 84.1(7) . .
O3A C20A C23A F12A -147.4(10) . .
C22A C20A C23A F12A 85.4(12) . .
C21A C20A C23A F12A -39.7(12) . .
O3A C20A C23A F10A 87.9(12) . .
C22A C20A C23A F10A -39.3(15) . .
C21A C20A C23A F10A -164.4(10) . .
O3A C20A C23A F11A -19.5(14) . .
C22A C20A C23A F11A -146.8(10) . .
C21A C20A C23A F11A 88.1(12) . .
C21B F4B F7B C22B -60.2(18) . .
C23B F10B F11B C24B 35(3) . .
O2B Al1B O2B O2B 61.72(16) 3_665 2_655
O3B Al1B O2B O2B -172(5) 3_665 2_655
O3B Al1B O2B O2B 71(6) 2_655 2_655
O3B Al1B O2B O2B -61(5) . 2_655
O2B Al1B O2B O2B -61.72(13) 2_655 3_665
O3B Al1B O2B O2B 126(5) 3_665 3_665
O3B Al1B O2B O2B 10(6) 2_655 3_665
O3B Al1B O2B O2B -123(5) . 3_665
O2B Al1B O2B C18B 30.87(9) 3_665 .
O2B Al1B O2B C18B -30.86(8) 2_655 .
O3B Al1B O2B C18B 157(5) 3_665 .
O3B Al1B O2B C18B 40(6) 2_655 .
O3B Al1B O2B C18B -92(5) . .
O2B Al1B O3B C20B -43(4) . .
O2B Al1B O3B C20B -70(4) 3_665 .
O2B Al1B O3B C20B -66(4) 2_655 .
O3B Al1B O3B C20B 66(5) 3_665 .
O3B Al1B O3B C20B 175(3) 2_655 .
O2B O2B C18B O2B -62.5(2) 2_655 3_665
Al1B O2B C18B O2B -31.27(13) . 3_665
O2B O2B C18B O2B 62.5(2) 3_665 2_655
Al1B O2B C18B O2B 31.27(12) . 2_655
O2B O2B C18B C19B -112(5) 2_655 3_665
O2B O2B C18B C19B -50(5) 3_665 3_665
Al1B O2B C18B C19B -81(5) . 3_665
O2B O2B C18B C19B 136(5) 2_655 .
O2B O2B C18B C19B -162(5) 3_665 .
Al1B O2B C18B C19B 167(5) . .
O2B O2B C18B C19B 22(6) 2_655 2_655
O2B O2B C18B C19B 85(6) 3_665 2_655
Al1B O2B C18B C19B 53(6) . 2_655
F2B F1B C19B F2B -88(4) 18_545 .
C19B F1B C19B F2B 146(2) 18_545 .
F1B F1B C19B F2B 160.8(16) 18_545 .
F1B F1B C19B F2B 42.4(14) 17 .
F2B F1B C19B F3B 28(4) 18_545 .
C19B F1B C19B F3B -98(3) 18_545 .
F1B F1B C19B F3B -83.6(13) 18_545 .
F1B F1B C19B F3B 158.1(16) 17 .
F2B F1B C19B F1B -130(4) 18_545 17
C19B F1B C19B F1B 104(2) 18_545 17
F1B F1B C19B F1B 118.3(5) 18_545 17
F2B F1B C19B C18B 146(3) 18_545 .
C19B F1B C19B C18B 20(4) 18_545 .
F1B F1B C19B C18B 34.5(16) 18_545 .
F1B F1B C19B C18B -83.8(15) 17 .
F1B F2B C19B F1B -45.9(15) 17 .
F1B F2B C19B F3B -158.0(18) 17 .
F1B F2B C19B C18B 79.2(18) 17 .
O2B C18B C19B F1B -161(2) . .
O2B C18B C19B F1B -172.4(18) 3_665 .
O2B C18B C19B F1B -137.9(17) 2_655 .
C19B C18B C19B F1B 81.4(15) 3_665 .
C19B C18B C19B F1B -35(2) 2_655 .
O2B C18B C19B F2B 71(2) . .
O2B C18B C19B F2B 59(2) 3_665 .
O2B C18B C19B F2B 94.0(19) 2_655 .
C19B C18B C19B F2B -47(3) 3_665 .
C19B C18B C19B F2B -163.5(13) 2_655 .
O2B C18B C19B F3B -50(2) . .
O2B C18B C19B F3B -61(2) 3_665 .
O2B C18B C19B F3B -26(2) 2_655 .
C19B C18B C19B F3B -167.1(15) 3_665 .
C19B C18B C19B F3B 76(3) 2_655 .
O2B C18B C19B F1B 130.3(19) . 17
O2B C18B C19B F1B 119.1(17) 3_665 17
O2B C18B C19B F1B 153.7(13) 2_655 17
C19B C18B C19B F1B 13(2) 3_665 17
C19B C18B C19B F1B -103.9(12) 2_655 17
Al1B O3B C20B C22B -40(7) . .
Al1B O3B C20B C23B -161(4) . .
Al1B O3B C20B C21B 66(4) . .
Al1B O3B C20B C24B 149(4) . .
F6B F5B C21B F4B 116(2) . .
F6B F5B C21B C20B -108.1(18) . .
F6B F5B C21B C22B -159(3) . .
F7B F4B C21B F5B -175(2) . .
C22B F4B C21B F5B 144(2) . .
F7B F4B C21B F6B -96.5(18) . .
C22B F4B C21B F6B -138(2) . .
F7B F4B C21B C20B 48.8(15) . .
C22B F4B C21B C20B 7.7(15) . .
F7B F4B C21B C22B 41.1(13) . .
F5B F6B C21B F4B -103.6(19) . .
F5B F6B C21B C20B 110.7(15) . .
F5B F6B C21B C22B 162(3) . .
O3B C20B C21B F5B 57(2) . .
C22B C20B C21B F5B -144(2) . .
C23B C20B C21B F5B -71(2) . .
C24B C20B C21B F5B -30(2) . .
O3B C20B C21B F4B -168.9(14) . .
C22B C20B C21B F4B -10.0(19) . .
C23B C20B C21B F4B 63(2) . .
C24B C20B C21B F4B 104.0(19) . .
O3B C20B C21B F6B -21.6(18) . .
C22B C20B C21B F6B 137(2) . .
C23B C20B C21B F6B -149.3(18) . .
C24B C20B C21B F6B -108.7(18) . .
O3B C20B C21B C22B -158.9(16) . .
C23B C20B C21B C22B 73.4(19) . .
C24B C20B C21B C22B 114.0(18) . .
F4B F7B C22B C20B 87(2) . .
F4B F7B C22B F8B -172.8(18) . .
F4B F7B C22B F9B -88(3) . .
F4B F7B C22B C21B 41.1(11) . .
O3B C20B C22B F7B 58(6) . .
C23B C20B C22B F7B -177(3) . .
C21B C20B C22B F7B -56(2) . .
C24B C20B C22B F7B -132(3) . .
O3B C20B C22B F8B -36(5) . .
C23B C20B C22B F8B 88(2) . .
C21B C20B C22B F8B -150(2) . .
C24B C20B C22B F8B 133.1(19) . .
O3B C20B C22B F9B -125(4) . .
C23B C20B C22B F9B -1(2) . .
C21B C20B C22B F9B 121(2) . .
C24B C20B C22B F9B 44(2) . .
O3B C20B C22B C21B 114(4) . .
C23B C20B C22B C21B -121.2(15) . .
C24B C20B C22B C21B -76.5(16) . .
O3B C20B C22B F4B 121(4) . .
C23B C20B C22B F4B -115(2) . .
C21B C20B C22B F4B 6.7(13) . .
C24B C20B C22B F4B -70(2) . .
O3B C20B C22B C23B -125(4) . .
C21B C20B C22B C23B 121.2(15) . .
C24B C20B C22B C23B 44.7(18) . .
C23B F9B C22B F7B 176(3) . .
C23B F9B C22B C20B 1(2) . .
C23B F9B C22B F8B -97.8(18) . .
C23B F9B C22B C21B 64(2) . .
C23B F9B C22B F4B 110.2(19) . .
F5B C21B C22B F7B -154(3) . .
F4B C21B C22B F7B -55.7(16) . .
F6B C21B C22B F7B 58(3) . .
C20B C21B C22B F7B 134(2) . .
F5B C21B C22B C20B 72(3) . .
F4B C21B C22B C20B 170.5(19) . .
F6B C21B C22B C20B -76(3) . .
F5B C21B C22B F8B 130(4) . .
F4B C21B C22B F8B -131(4) . .
F6B C21B C22B F8B -18(5) . .
C20B C21B C22B F8B 58(3) . .
F5B C21B C22B F9B -18(4) . .
F4B C21B C22B F9B 81(2) . .
F6B C21B C22B F9B -166(2) . .
C20B C21B C22B F9B -90(2) . .
F5B C21B C22B F4B -99(3) . .
F6B C21B C22B F4B 113(3) . .
C20B C21B C22B F4B -170.5(19) . .
F5B C21B C22B C23B 29(3) . .
F4B C21B C22B C23B 127.2(18) . .
F6B C21B C22B C23B -119(3) . .
C20B C21B C22B C23B -43.2(11) . .
C21B F4B C22B F7B 110(2) . .
C21B F4B C22B C20B -8.4(17) . .
F7B F4B C22B C20B -118(3) . .
C21B F4B C22B F8B 124(5) . .
F7B F4B C22B F8B 14(4) . .
C21B F4B C22B F9B -121.0(19) . .
F7B F4B C22B F9B 129(2) . .
F7B F4B C22B C21B -110(2) . .
C21B F4B C22B C23B -63(2) . .
F7B F4B C22B C23B -173(3) . .
F11B F10B C23B C24B -32(2) . .
F11B F10B C23B C20B -117(3) . .
F11B F10B C23B F9B 130(3) . .
F11B F10B C23B C22B -167(4) . .
C24B F11B C23B F10B -144(3) . .
F10B F11B C23B C24B 144(3) . .
C24B F11B C23B C20B -33(3) . .
F10B F11B C23B C20B 111(3) . .
C24B F11B C23B F9B 104(4) . .
F10B F11B C23B F9B -111(4) . .
C24B F11B C23B C22B 15(5) . .
F10B F11B C23B C22B 159(6) . .
O3B C20B C23B F10B 38(3) . .
C22B C20B C23B F10B -124(3) . .
C21B C20B C23B F10B 168(2) . .
C24B C20B C23B F10B 113(3) . .
O3B C20B C23B F11B -48(3) . .
C22B C20B C23B F11B 151(3) . .
C21B C20B C23B F11B 83(3) . .
C24B C20B C23B F11B 27(2) . .
O3B C20B C23B C24B -75.0(17) . .
C22B C20B C23B C24B 123(2) . .
C21B C20B C23B C24B 55.4(19) . .
O3B C20B C23B F9B 162.3(14) . .
C22B C20B C23B F9B 0.5(19) . .
C21B C20B C23B F9B -67(2) . .
C24B C20B C23B F9B -123(2) . .
O3B C20B C23B C22B 161.8(15) . .
C21B C20B C23B C22B -67.8(16) . .
C24B C20B C23B C22B -123(2) . .
C22B F9B C23B F10B 124(3) . .
C22B F9B C23B F11B -145(4) . .
C22B F9B C23B C24B -75(3) . .
C22B F9B C23B C20B -0.4(16) . .
C20B C22B C23B F10B 86(3) . .
F8B C22B C23B F10B -12(4) . .
F9B C22B C23B F10B -95(4) . .
C21B C22B C23B F10B 134(3) . .
F4B C22B C23B F10B 171(3) . .
C20B C22B C23B F11B -67(5) . .
F8B C22B C23B F11B -165(5) . .
F9B C22B C23B F11B 112(6) . .
C21B C22B C23B F11B -19(6) . .
F4B C22B C23B F11B 18(6) . .
C20B C22B C23B C24B -55(2) . .
F8B C22B C23B C24B -153(2) . .
F9B C22B C23B C24B 125(2) . .
C21B C22B C23B C24B -7(2) . .
F4B C22B C23B C24B 31(3) . .
F8B C22B C23B C20B -98.1(19) . .
F9B C22B C23B C20B 179(2) . .
C21B C22B C23B C20B 47.5(12) . .
F4B C22B C23B C20B 85(2) . .
C20B C22B C23B F9B -179(2) . .
F8B C22B C23B F9B 82.5(19) . .
C21B C22B C23B F9B -132(2) . .
F4B C22B C23B F9B -94(2) . .
C23B F11B C24B F13B -97(2) . .
F10B F11B C24B F13B -124(2) . .
C23B F11B C24B F12B 141(3) . .
F10B F11B C24B F12B 113(2) . .
F10B F11B C24B C23B -27(2) . .
C23B F11B C24B C20B 23.9(19) . .
F10B F11B C24B C20B -3(3) . .
F10B C23B C24B F13B 139(3) . .
F11B C23B C24B F13B 101(3) . .
C20B C23B C24B F13B -108(2) . .
F9B C23B C24B F13B -22(4) . .
C22B C23B C24B F13B -72(3) . .
F10B C23B C24B F11B 39(3) . .
C20B C23B C24B F11B 151(2) . .
F9B C23B C24B F11B -122(3) . .
C22B C23B C24B F11B -173(2) . .
F10B C23B C24B F12B -44(6) . .
F11B C23B C24B F12B -83(5) . .
C20B C23B C24B F12B 68(5) . .
F9B C23B C24B F12B 155(4) . .
C22B C23B C24B F12B 104(5) . .
F10B C23B C24B C20B -112(3) . .
F11B C23B C24B C20B -151(2) . .
F9B C23B C24B C20B 86(3) . .
C22B C23B C24B C20B 35.6(12) . .
O3B C20B C24B F13B -155(3) . .
C22B C20B C24B F13B 29(3) . .
C23B C20B C24B F13B 92(3) . .
C21B C20B C24B F13B -41(3) . .
O3B C20B C24B F11B 89(2) . .
C22B C20B C24B F11B -88(3) . .
C23B C20B C24B F11B -25(2) . .
C21B C20B C24B F11B -157(2) . .
O3B C20B C24B F12B -32(2) . .
C22B C20B C24B F12B 152(2) . .
C23B C20B C24B F12B -145(3) . .
C21B C20B C24B F12B 82(2) . .
O3B C20B C24B C23B 113.3(17) . .
C22B C20B C24B C23B -63(2) . .
C21B C20B C24B C23B -132.8(18) . .
