#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:43:18 +0300 (Fri, 05 May 2023) $
#$Revision: 283142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/10/7131059.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_7131059
loop_
_publ_author_name
'Tan, Jingjie'
'Hu, Chaopeng'
'Yang, Xin'
'Ju, Shaoying'
'Cao, Levy L.'
'Wu, Yile'
'Liu, Liu Leo'
'Stephan, Douglas W.'
_publ_section_title
;
 Structure and reactivity studies of the aluminum analogue of Piers'
 borane [HAl(C₆F₅)₂]₃.
;
_journal_issue                   3
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              282
_journal_page_last               285
_journal_paper_doi               10.1039/d2cc06075b
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C36 H3 Al3 F30'
_chemical_formula_sum            'C36 H3 Al3 F30'
_chemical_formula_weight         1086.32
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_date             2022-04-02
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-04-02 deposited with the CCDC.	2022-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                94.033(5)
_cell_angle_beta                 104.990(5)
_cell_angle_gamma                99.074(5)
_cell_formula_units_Z            2
_cell_length_a                   10.9346(10)
_cell_length_b                   11.6435(11)
_cell_length_c                   15.7246(14)
_cell_measurement_reflns_used    9815
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      70.38
_cell_measurement_theta_min      3.87
_cell_volume                     1896.7(3)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      250.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            66190
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.641
_diffrn_reflns_theta_min         2.929
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.619
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.5544
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1383 before and 0.0935 after correction.
The Ratio of minimum to maximum transmission is 0.7360.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene and hexane'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         7317
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1527P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2023
_refine_ls_wR_factor_ref         0.2196
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5175
_reflns_number_total             7317
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06075b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7131059--7131063.cif.'
_cod_database_code               7131059
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Al1 Al 0.96822(9) 0.05180(8) 0.31328(7) 0.0611(3) Uani 1 1 d . . . . .
Al2 Al 0.66294(9) -0.03120(8) 0.27712(7) 0.0595(3) Uani 1 1 d . . . . .
Al3 Al 0.77729(10) 0.05449(8) 0.11898(7) 0.0627(3) Uani 1 1 d . . . . .
F26 F 0.7774(2) 0.26585(17) 0.24625(14) 0.0704(5) Uani 1 1 d . . . . .
F14 F 0.2461(2) 0.1438(2) 0.25843(15) 0.0751(6) Uani 1 1 d . . . . .
F5 F 0.88852(19) -0.19228(18) 0.20368(15) 0.0731(5) Uani 1 1 d . . . . .
F11 F 0.74966(19) 0.18250(19) 0.43657(17) 0.0784(6) Uani 1 1 d . . . . .
F17 F 0.5082(2) -0.47188(17) 0.12039(15) 0.0792(6) Uani 1 1 d . . . . .
F1 F 1.2444(2) 0.02178(18) 0.42504(15) 0.0723(5) Uani 1 1 d . . . . .
F2 F 1.38404(19) -0.1415(2) 0.40105(16) 0.0787(6) Uani 1 1 d . . . . .
F20 F 0.6525(2) -0.17804(17) 0.42644(15) 0.0741(5) Uani 1 1 d . . . . .
F18 F 0.5211(2) -0.55765(16) 0.27841(16) 0.0801(6) Uani 1 1 d . . . . .
F13 F 0.3591(2) 0.31617(18) 0.39313(16) 0.0760(6) Uani 1 1 d . . . . .
F22 F 0.5271(2) -0.26917(18) -0.14233(16) 0.0758(6) Uani 1 1 d . . . . .
F16 F 0.5648(2) -0.23973(18) 0.11533(15) 0.0809(6) Uani 1 1 d . . . . .
F12 F 0.6094(2) 0.33364(18) 0.48336(17) 0.0815(6) Uani 1 1 d . . . . .
F15 F 0.3871(2) -0.00780(19) 0.20971(15) 0.0748(5) Uani 1 1 d . . . . .
F21 F 0.5520(2) -0.08495(18) -0.02365(16) 0.0764(6) Uani 1 1 d . . . . .
F27 F 0.7831(2) 0.49362(18) 0.22401(16) 0.0812(6) Uani 1 1 d . . . . .
F3 F 1.2788(2) -0.33044(19) 0.27832(18) 0.0838(7) Uani 1 1 d . . . . .
F19 F 0.5895(2) -0.41228(19) 0.43003(15) 0.0799(6) Uani 1 1 d . . . . .
F4 F 1.0288(2) -0.3575(2) 0.17980(18) 0.0871(7) Uani 1 1 d . . . . .
F6 F 1.0246(2) 0.11762(17) 0.51092(16) 0.0803(6) Uani 1 1 d . . . . .
F10 F 1.0521(2) 0.3092(2) 0.26133(17) 0.0885(7) Uani 1 1 d . . . . .
F23 F 0.7399(2) -0.3586(2) -0.15279(17) 0.0869(7) Uani 1 1 d . . . . .
F25 F 0.9982(2) -0.0737(2) 0.07541(17) 0.0875(7) Uani 1 1 d . . . . .
F30 F 0.7361(2) 0.1772(2) -0.05845(16) 0.0850(6) Uani 1 1 d . . . . .
F7 F 1.1041(2) 0.3234(2) 0.61579(18) 0.0912(7) Uani 1 1 d . . . . .
F29 F 0.7398(3) 0.4038(2) -0.08104(17) 0.0949(7) Uani 1 1 d . . . . .
F28 F 0.7603(3) 0.56320(18) 0.05916(19) 0.0938(7) Uani 1 1 d . . . . .
F8 F 1.1566(2) 0.52274(19) 0.5436(2) 0.1017(9) Uani 1 1 d . . . . .
F9 F 1.1300(3) 0.5174(2) 0.3673(2) 0.1143(10) Uani 1 1 d . . . . .
F24 F 0.9731(2) -0.2614(3) -0.0452(2) 0.1124(10) Uani 1 1 d . . . . .
C19 C 0.6107(3) -0.2005(3) 0.2713(2) 0.0603(8) Uani 1 1 d . . . . .
C22 C 0.5469(3) -0.4418(3) 0.2753(2) 0.0625(8) Uani 1 1 d . . . . .
C6 C 1.0120(3) -0.1780(3) 0.2533(3) 0.0637(8) Uani 1 1 d . . . . .
C13 C 0.5725(3) 0.0821(3) 0.3212(2) 0.0587(7) Uani 1 1 d . . . . .
C31 C 0.7578(3) 0.2148(3) 0.0953(2) 0.0615(8) Uani 1 1 d . . . . .
C15 C 0.5557(3) 0.2500(3) 0.4159(2) 0.0623(8) Uani 1 1 d . . . . .
C7 C 1.0341(3) 0.2047(3) 0.3824(3) 0.0625(8) Uani 1 1 d . . . . .
C14 C 0.6250(3) 0.1702(3) 0.3910(2) 0.0601(8) Uani 1 1 d . . . . .
C8 C 1.0506(3) 0.2159(3) 0.4722(3) 0.0645(8) Uani 1 1 d . . . . .
C32 C 0.7678(3) 0.2986(3) 0.1636(2) 0.0605(8) Uani 1 1 d . . . . .
C27 C 0.6440(3) -0.2222(3) -0.0885(3) 0.0628(8) Uani 1 1 d . . . . .
C21 C 0.5416(3) -0.3979(3) 0.1956(3) 0.0638(8) Uani 1 1 d . . . . .
C17 C 0.3711(3) 0.1529(3) 0.3014(2) 0.0620(8) Uani 1 1 d . . . . .
C20 C 0.5724(3) -0.2787(3) 0.1950(3) 0.0631(8) Uani 1 1 d . . . . .
C16 C 0.4286(3) 0.2403(3) 0.3707(2) 0.0620(8) Uani 1 1 d . . . . .
C18 C 0.4452(3) 0.0769(3) 0.2787(2) 0.0600(7) Uani 1 1 d . . . . .
C24 C 0.6137(3) -0.2497(3) 0.3493(2) 0.0606(8) Uani 1 1 d . . . . .
C1 C 1.0618(3) -0.0778(3) 0.3132(2) 0.0608(8) Uani 1 1 d . . . . .
C2 C 1.1878(3) -0.0714(3) 0.3639(2) 0.0609(8) Uani 1 1 d . . . . .
C23 C 0.5827(3) -0.3675(3) 0.3532(2) 0.0616(8) Uani 1 1 d . . . . .
C25 C 0.7745(3) -0.0729(3) 0.0306(2) 0.0606(8) Uani 1 1 d . . . . .
C28 C 0.7511(4) -0.2672(3) -0.0930(3) 0.0670(9) Uani 1 1 d . . . . .
C33 C 0.7700(3) 0.4152(3) 0.1541(3) 0.0655(8) Uani 1 1 d . . . . .
C3 C 1.2608(3) -0.1547(3) 0.3519(3) 0.0636(8) Uani 1 1 d . . . . .
C36 C 0.7467(3) 0.2537(3) 0.0131(3) 0.0662(8) Uani 1 1 d . . . . .
C12 C 1.0630(3) 0.3099(3) 0.3483(3) 0.0710(9) Uani 1 1 d . . . . .
C5 C 1.0815(4) -0.2640(3) 0.2404(3) 0.0668(9) Uani 1 1 d . . . . .
C26 C 0.6590(3) -0.1275(3) -0.0267(2) 0.0609(8) Uani 1 1 d . . . . .
C10 C 1.1179(3) 0.4208(3) 0.4912(3) 0.0762(11) Uani 1 1 d . . . . .
C4 C 1.2081(3) -0.2498(3) 0.2905(3) 0.0652(8) Uani 1 1 d . . . . .
C34 C 0.7603(4) 0.4508(3) 0.0713(3) 0.0709(9) Uani 1 1 d . . . . .
C35 C 0.7492(4) 0.3698(3) -0.0006(3) 0.0706(9) Uani 1 1 d . . . . .
C11 C 1.1046(3) 0.4186(3) 0.4021(4) 0.0792(12) Uani 1 1 d . . . . .
C30 C 0.8797(3) -0.1211(3) 0.0219(3) 0.0691(9) Uani 1 1 d . . . . .
C9 C 1.0919(4) 0.3204(3) 0.5281(3) 0.0729(9) Uani 1 1 d . . . . .
C29 C 0.8702(4) -0.2160(4) -0.0378(3) 0.0751(10) Uani 1 1 d . . . . .
H H 0.677(2) 0.0017(19) 0.1800(16) 0.026(6) Uiso 1 1 d . . . . .
HA H 0.825(2) 0.0001(18) 0.3296(16) 0.025(5) Uiso 1 1 d . . . . .
HB H 0.921(2) 0.075(2) 0.2046(17) 0.028(6) Uiso 1 1 d . . . . .
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'
Al Al 0.2130 0.2455 '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'
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
C7 Al1 C1 126.08(15) . . ?
C7 Al1 HA 108.0(8) . . ?
C7 Al1 HB 107.0(8) . . ?
C1 Al1 HA 108.0(7) . . ?
C1 Al1 HB 104.5(8) . . ?
HA Al1 HB 100.3(11) . . ?
C19 Al2 C13 123.37(14) . . ?
C19 Al2 H 109.2(8) . . ?
C19 Al2 HA 106.3(7) . . ?
C13 Al2 H 107.7(8) . . ?
C13 Al2 HA 111.2(7) . . ?
H Al2 HA 95.6(11) . . ?
C31 Al3 H 110.4(7) . . ?
C31 Al3 HB 103.2(7) . . ?
C25 Al3 C31 125.43(15) . . ?
C25 Al3 H 107.4(8) . . ?
C25 Al3 HB 109.9(8) . . ?
H Al3 HB 96.7(11) . . ?
C20 C19 Al2 125.6(3) . . ?
C20 C19 C24 115.5(3) . . ?
C24 C19 Al2 118.9(3) . . ?
F18 C22 C21 120.4(3) . . ?
F18 C22 C23 119.1(3) . . ?
C23 C22 C21 120.4(3) . . ?
F5 C6 C1 118.2(3) . . ?
F5 C6 C5 117.7(3) . . ?
C5 C6 C1 124.0(3) . . ?
C14 C13 Al2 126.5(2) . . ?
C18 C13 Al2 118.0(3) . . ?
C18 C13 C14 115.5(3) . . ?
C32 C31 Al3 120.2(3) . . ?
C32 C31 C36 115.8(3) . . ?
C36 C31 Al3 123.7(3) . . ?
F12 C15 C14 121.4(3) . . ?
F12 C15 C16 119.9(3) . . ?
C16 C15 C14 118.7(3) . . ?
C8 C7 Al1 119.9(3) . . ?
C8 C7 C12 114.4(3) . . ?
C12 C7 Al1 125.7(3) . . ?
F11 C14 C13 119.8(3) . . ?
F11 C14 C15 117.1(3) . . ?
C15 C14 C13 123.0(3) . . ?
F6 C8 C7 118.2(3) . . ?
F6 C8 C9 116.4(3) . . ?
C7 C8 C9 125.4(3) . . ?
F26 C32 C31 118.8(3) . . ?
F26 C32 C33 117.5(3) . . ?
C31 C32 C33 123.7(3) . . ?
F22 C27 C28 121.2(3) . . ?
F22 C27 C26 120.4(3) . . ?
C28 C27 C26 118.3(3) . . ?
F17 C21 C22 119.6(3) . . ?
F17 C21 C20 121.4(3) . . ?
C20 C21 C22 118.9(3) . . ?
F14 C17 C16 119.8(3) . . ?
F14 C17 C18 122.0(3) . . ?
C18 C17 C16 118.2(3) . . ?
F16 C20 C19 120.3(3) . . ?
F16 C20 C21 116.8(3) . . ?
C21 C20 C19 122.9(3) . . ?
F13 C16 C15 120.1(3) . . ?
F13 C16 C17 119.3(3) . . ?
C15 C16 C17 120.6(3) . . ?
F15 C18 C13 118.8(3) . . ?
F15 C18 C17 117.3(3) . . ?
C13 C18 C17 124.0(3) . . ?
F20 C24 C19 118.4(3) . . ?
F20 C24 C23 117.8(3) . . ?
C23 C24 C19 123.8(3) . . ?
C6 C1 Al1 121.4(2) . . ?
C6 C1 C2 114.8(3) . . ?
C2 C1 Al1 123.3(3) . . ?
F1 C2 C1 119.4(3) . . ?
F1 C2 C3 117.8(3) . . ?
C3 C2 C1 122.7(3) . . ?
F19 C23 C22 119.4(3) . . ?
F19 C23 C24 122.1(3) . . ?
C24 C23 C22 118.4(3) . . ?
C26 C25 Al3 119.5(2) . . ?
C26 C25 C30 114.4(3) . . ?
C30 C25 Al3 126.1(3) . . ?
F23 C28 C27 119.7(4) . . ?
F23 C28 C29 120.3(3) . . ?
C27 C28 C29 120.0(3) . . ?
F27 C33 C32 121.0(3) . . ?
F27 C33 C34 120.3(3) . . ?
C32 C33 C34 118.7(3) . . ?
F2 C3 C2 120.0(3) . . ?
F2 C3 C4 120.1(3) . . ?
C4 C3 C2 119.9(3) . . ?
F30 C36 C31 120.0(3) . . ?
F30 C36 C35 116.8(3) . . ?
C35 C36 C31 123.2(4) . . ?
F10 C12 C7 119.5(4) . . ?
F10 C12 C11 118.0(3) . . ?
C7 C12 C11 122.5(4) . . ?
F4 C5 C6 121.2(3) . . ?
F4 C5 C4 120.7(3) . . ?
C4 C5 C6 118.1(3) . . ?
F21 C26 C27 117.1(3) . . ?
F21 C26 C25 118.2(3) . . ?
C25 C26 C27 124.7(3) . . ?
F8 C10 C11 120.0(4) . . ?
F8 C10 C9 118.9(4) . . ?
C9 C10 C11 121.1(4) . . ?
F3 C4 C3 120.1(3) . . ?
F3 C4 C5 119.5(3) . . ?
C3 C4 C5 120.4(3) . . ?
F28 C34 C33 120.5(4) . . ?
F28 C34 C35 119.4(4) . . ?
C33 C34 C35 120.2(3) . . ?
F29 C35 C36 121.1(4) . . ?
F29 C35 C34 120.4(3) . . ?
C36 C35 C34 118.4(3) . . ?
F9 C11 C12 121.0(5) . . ?
F9 C11 C10 120.3(4) . . ?
C10 C11 C12 118.8(3) . . ?
F25 C30 C25 119.1(4) . . ?
F25 C30 C29 117.5(3) . . ?
C29 C30 C25 123.4(4) . . ?
F7 C9 C8 121.4(3) . . ?
F7 C9 C10 120.8(4) . . ?
C10 C9 C8 117.8(4) . . ?
F24 C29 C28 118.2(4) . . ?
F24 C29 C30 122.5(4) . . ?
C30 C29 C28 119.3(3) . . ?
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
Al1 C7 1.946(4) . ?
Al1 C1 1.952(3) . ?
Al1 HA 1.67(2) . ?
Al1 HB 1.71(2) . ?
Al2 C19 1.952(3) . ?
Al2 C13 1.959(3) . ?
Al2 H 1.64(2) . ?
Al2 HA 1.72(2) . ?
Al3 C31 1.962(3) . ?
Al3 C25 1.951(4) . ?
Al3 H 1.71(2) . ?
Al3 HB 1.76(3) . ?
F26 C32 1.362(4) . ?
F14 C17 1.342(4) . ?
F5 C6 1.351(4) . ?
F11 C14 1.346(4) . ?
F17 C21 1.344(4) . ?
F1 C2 1.349(4) . ?
F2 C3 1.347(4) . ?
F20 C24 1.352(4) . ?
F18 C22 1.341(4) . ?
F13 C16 1.338(4) . ?
F22 C27 1.344(4) . ?
F16 C20 1.349(4) . ?
F12 C15 1.331(4) . ?
F15 C18 1.359(4) . ?
F21 C26 1.350(4) . ?
F27 C33 1.341(4) . ?
F3 C4 1.340(4) . ?
F19 C23 1.339(4) . ?
F4 C5 1.340(4) . ?
F6 C8 1.358(4) . ?
F10 C12 1.342(5) . ?
F23 C28 1.338(4) . ?
F25 C30 1.355(4) . ?
F30 C36 1.353(4) . ?
F7 C9 1.348(5) . ?
F29 C35 1.336(4) . ?
F28 C34 1.336(4) . ?
F8 C10 1.338(5) . ?
F9 C11 1.329(4) . ?
F24 C29 1.343(4) . ?
C19 C20 1.383(5) . ?
C19 C24 1.384(5) . ?
C22 C21 1.378(5) . ?
C22 C23 1.377(5) . ?
C6 C1 1.388(5) . ?
C6 C5 1.383(5) . ?
C13 C14 1.384(5) . ?
C13 C18 1.369(5) . ?
C31 C32 1.371(5) . ?
C31 C36 1.382(5) . ?
C15 C14 1.384(5) . ?
C15 C16 1.370(5) . ?
C7 C8 1.371(5) . ?
C7 C12 1.395(5) . ?
C8 C9 1.389(5) . ?
C32 C33 1.374(5) . ?
C27 C28 1.372(5) . ?
C27 C26 1.377(5) . ?
C21 C20 1.378(4) . ?
C17 C16 1.381(5) . ?
C17 C18 1.377(5) . ?
C24 C23 1.370(5) . ?
C1 C2 1.389(5) . ?
C2 C3 1.382(5) . ?
C25 C26 1.374(5) . ?
C25 C30 1.390(5) . ?
C28 C29 1.379(6) . ?
C33 C34 1.377(5) . ?
C3 C4 1.361(5) . ?
C36 C35 1.380(5) . ?
C12 C11 1.411(6) . ?
C5 C4 1.382(5) . ?
C10 C11 1.369(7) . ?
C10 C9 1.363(6) . ?
C34 C35 1.387(6) . ?
C30 C29 1.372(6) . ?
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
Al1 C7 C8 F6 2.5(4) . . . . ?
Al1 C7 C8 C9 -177.4(3) . . . . ?
Al1 C7 C12 F10 -3.6(5) . . . . ?
Al1 C7 C12 C11 176.8(3) . . . . ?
Al1 C1 C2 F1 9.0(4) . . . . ?
Al1 C1 C2 C3 -168.1(3) . . . . ?
Al2 C19 C20 F16 -2.2(5) . . . . ?
Al2 C19 C20 C21 177.3(3) . . . . ?
Al2 C19 C24 F20 0.2(4) . . . . ?
Al2 C19 C24 C23 -178.0(3) . . . . ?
Al2 C13 C14 F11 -1.1(5) . . . . ?
Al2 C13 C14 C15 177.3(3) . . . . ?
Al2 C13 C18 F15 1.5(4) . . . . ?
Al2 C13 C18 C17 -178.4(2) . . . . ?
Al3 C31 C32 F26 -7.0(4) . . . . ?
Al3 C31 C32 C33 172.3(3) . . . . ?
Al3 C31 C36 F30 6.5(5) . . . . ?
Al3 C31 C36 C35 -171.6(3) . . . . ?
Al3 C25 C26 F21 4.7(4) . . . . ?
Al3 C25 C26 C27 -176.3(3) . . . . ?
Al3 C25 C30 F25 -3.8(5) . . . . ?
Al3 C25 C30 C29 175.3(3) . . . . ?
F26 C32 C33 F27 1.0(5) . . . . ?
F26 C32 C33 C34 -179.9(3) . . . . ?
F14 C17 C16 F13 -1.1(5) . . . . ?
F14 C17 C16 C15 179.3(3) . . . . ?
F14 C17 C18 F15 0.8(4) . . . . ?
F14 C17 C18 C13 -179.3(3) . . . . ?
F5 C6 C1 Al1 -10.1(4) . . . . ?
F5 C6 C1 C2 177.8(3) . . . . ?
F5 C6 C5 F4 1.0(5) . . . . ?
F5 C6 C5 C4 179.7(3) . . . . ?
F17 C21 C20 F16 1.4(5) . . . . ?
F17 C21 C20 C19 -178.1(3) . . . . ?
F1 C2 C3 F2 0.5(5) . . . . ?
F1 C2 C3 C4 -179.5(3) . . . . ?
F2 C3 C4 F3 -0.3(5) . . . . ?
F2 C3 C4 C5 179.6(3) . . . . ?
F20 C24 C23 F19 0.2(5) . . . . ?
F20 C24 C23 C22 -178.0(3) . . . . ?
F18 C22 C21 F17 1.1(5) . . . . ?
F18 C22 C21 C20 -178.0(3) . . . . ?
F18 C22 C23 F19 -0.8(5) . . . . ?
F18 C22 C23 C24 177.5(3) . . . . ?
F22 C27 C28 F23 0.9(5) . . . . ?
F22 C27 C28 C29 178.9(3) . . . . ?
F22 C27 C26 F21 -0.3(5) . . . . ?
F22 C27 C26 C25 -179.4(3) . . . . ?
F12 C15 C14 F11 -1.4(5) . . . . ?
F12 C15 C14 C13 -179.9(3) . . . . ?
F12 C15 C16 F13 1.3(5) . . . . ?
F12 C15 C16 C17 -179.0(3) . . . . ?
F27 C33 C34 F28 -1.8(5) . . . . ?
F27 C33 C34 C35 178.8(3) . . . . ?
F4 C5 C4 F3 0.0(5) . . . . ?
F4 C5 C4 C3 -179.9(3) . . . . ?
F6 C8 C9 F7 -0.6(5) . . . . ?
F6 C8 C9 C10 -179.5(3) . . . . ?
F10 C12 C11 F9 1.1(5) . . . . ?
F10 C12 C11 C10 -179.1(3) . . . . ?
F23 C28 C29 F24 -0.9(6) . . . . ?
F23 C28 C29 C30 178.8(3) . . . . ?
F25 C30 C29 F24 -0.8(6) . . . . ?
F25 C30 C29 C28 179.5(3) . . . . ?
F30 C36 C35 F29 0.9(5) . . . . ?
F30 C36 C35 C34 -179.8(3) . . . . ?
F28 C34 C35 F29 0.6(6) . . . . ?
F28 C34 C35 C36 -178.7(3) . . . . ?
F8 C10 C11 F9 0.1(5) . . . . ?
F8 C10 C11 C12 -179.7(3) . . . . ?
F8 C10 C9 F7 0.3(5) . . . . ?
F8 C10 C9 C8 179.3(3) . . . . ?
C19 C24 C23 F19 178.5(3) . . . . ?
C19 C24 C23 C22 0.2(5) . . . . ?
C22 C21 C20 F16 -179.5(3) . . . . ?
C22 C21 C20 C19 1.0(5) . . . . ?
C6 C1 C2 F1 -179.0(3) . . . . ?
C6 C1 C2 C3 3.8(5) . . . . ?
C6 C5 C4 F3 -178.7(3) . . . . ?
C6 C5 C4 C3 1.4(5) . . . . ?
C31 C32 C33 F27 -178.4(3) . . . . ?
C31 C32 C33 C34 0.7(5) . . . . ?
C31 C36 C35 F29 179.1(3) . . . . ?
C31 C36 C35 C34 -1.6(6) . . . . ?
C7 C8 C9 F7 179.3(3) . . . . ?
C7 C8 C9 C10 0.3(6) . . . . ?
C7 C12 C11 F9 -179.3(3) . . . . ?
C7 C12 C11 C10 0.5(5) . . . . ?
C14 C13 C18 F15 -179.7(3) . . . . ?
C14 C13 C18 C17 0.4(5) . . . . ?
C14 C15 C16 F13 -179.9(3) . . . . ?
C14 C15 C16 C17 -0.3(5) . . . . ?
C8 C7 C12 F10 179.1(3) . . . . ?
C8 C7 C12 C11 -0.5(5) . . . . ?
C32 C31 C36 F30 -179.9(3) . . . . ?
C32 C31 C36 C35 1.9(5) . . . . ?
C32 C33 C34 F28 179.1(3) . . . . ?
C32 C33 C34 C35 -0.3(5) . . . . ?
C27 C28 C29 F24 -179.0(3) . . . . ?
C27 C28 C29 C30 0.7(6) . . . . ?
C21 C22 C23 F19 -178.8(3) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C20 C19 C24 F20 178.9(3) . . . . ?
C20 C19 C24 C23 0.7(5) . . . . ?
C16 C15 C14 F11 179.8(3) . . . . ?
C16 C15 C14 C13 1.3(5) . . . . ?
C16 C17 C18 F15 -179.3(3) . . . . ?
C16 C17 C18 C13 0.5(5) . . . . ?
C18 C13 C14 F11 -179.8(3) . . . . ?
C18 C13 C14 C15 -1.3(5) . . . . ?
C18 C17 C16 F13 179.1(3) . . . . ?
C18 C17 C16 C15 -0.6(5) . . . . ?
C24 C19 C20 F16 179.2(3) . . . . ?
C24 C19 C20 C21 -1.3(5) . . . . ?
C1 C6 C5 F4 -178.3(3) . . . . ?
C1 C6 C5 C4 0.4(6) . . . . ?
C1 C2 C3 F2 177.7(3) . . . . ?
C1 C2 C3 C4 -2.3(5) . . . . ?
C2 C3 C4 F3 179.6(3) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C23 C22 C21 F17 179.0(3) . . . . ?
C23 C22 C21 C20 -0.1(5) . . . . ?
C25 C30 C29 F24 -180.0(3) . . . . ?
C25 C30 C29 C28 0.4(6) . . . . ?
C28 C27 C26 F21 -180.0(3) . . . . ?
C28 C27 C26 C25 0.9(5) . . . . ?
C33 C34 C35 F29 -180.0(3) . . . . ?
C33 C34 C35 C36 0.8(6) . . . . ?
C36 C31 C32 F26 179.2(3) . . . . ?
C36 C31 C32 C33 -1.5(5) . . . . ?
C12 C7 C8 F6 -180.0(3) . . . . ?
C12 C7 C8 C9 0.2(5) . . . . ?
C5 C6 C1 Al1 169.2(3) . . . . ?
C5 C6 C1 C2 -2.9(5) . . . . ?
C26 C27 C28 F23 -179.4(3) . . . . ?
C26 C27 C28 C29 -1.3(5) . . . . ?
C26 C25 C30 F25 -179.9(3) . . . . ?
C26 C25 C30 C29 -0.8(5) . . . . ?
C11 C10 C9 F7 -179.4(3) . . . . ?
C11 C10 C9 C8 -0.4(6) . . . . ?
C30 C25 C26 F21 -179.0(3) . . . . ?
C30 C25 C26 C27 0.1(5) . . . . ?
C9 C10 C11 F9 179.8(3) . . . . ?
C9 C10 C11 C12 0.0(6) . . . . ?
