#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:43:18 +0300 (Fri, 05 May 2023) $
#$Revision: 283142 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/10/7131060.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_7131060
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         'C23 H9 Al F10 O, C6 H5 Cl'
_chemical_formula_sum            'C29 H14 Al Cl F10 O'
_chemical_formula_weight         630.83
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-05-29
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-05-29 deposited with the CCDC.	2022-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                110.793(2)
_cell_angle_beta                 104.745(2)
_cell_angle_gamma                107.462(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3773(5)
_cell_length_b                   11.6740(5)
_cell_length_c                   11.8396(5)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      70.104
_cell_measurement_theta_min      4.369
_cell_volume                     1282.29(11)
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_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  0.0421
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_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       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17723
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.132
_diffrn_reflns_theta_min         4.368
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.552
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: chlorobenzene and hexane'
_refine_diff_density_max         1.183
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0469
_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)+(0.0768P)²+0.9868P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1395
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4504
_reflns_number_total             4860
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06075b2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7131059--7131063.cif.'
_cod_original_cell_volume        1282.28(10)
_cod_database_code               7131060
_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
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C27(H27), C25(H25), C4(H4), C26(H26), C29(H29), C11(H11),
 C8(H8), C10(H10), C28(H28), C9(H9)
;
_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 0.47988(6) 0.49856(6) 0.61069(5) 0.02262(16) Uani 1 1 d . . . . .
Cl1 Cl -0.04862(9) 0.09224(9) 0.63445(9) 0.0685(3) Uani 1 1 d . . . . .
F5 F 0.46241(13) 0.39509(14) 0.81856(13) 0.0367(3) Uani 1 1 d . . . . .
F1 F 0.79841(13) 0.65896(16) 0.73270(14) 0.0420(3) Uani 1 1 d . . . . .
F6 F 0.41910(14) 0.71154(14) 0.79694(13) 0.0415(3) Uani 1 1 d . . . . .
F10 F 0.17754(14) 0.25863(14) 0.45930(14) 0.0418(3) Uani 1 1 d . . . . .
F4 F 0.65403(16) 0.41630(16) 1.02233(14) 0.0460(4) Uani 1 1 d . . . . .
F9 F -0.05430(14) 0.26456(17) 0.47153(16) 0.0495(4) Uani 1 1 d . . . . .
O1 O 0.46364(14) 0.38155(13) 0.45088(13) 0.0243(3) Uani 1 1 d . . . . .
F8 F -0.04968(15) 0.49096(19) 0.64940(17) 0.0525(4) Uani 1 1 d . . . . .
F3 F 0.91874(16) 0.55935(18) 1.08290(14) 0.0504(4) Uani 1 1 d . . . . .
F2 F 0.98911(14) 0.68209(18) 0.93795(15) 0.0497(4) Uani 1 1 d . . . . .
F7 F 0.18791(17) 0.71556(18) 0.81117(16) 0.0539(4) Uani 1 1 d . . . . .
C12 C 0.6222(2) 0.5248(2) 0.76605(19) 0.0250(4) Uani 1 1 d . . . . .
C2 C 0.4983(2) 0.2069(2) 0.4998(2) 0.0286(4) Uani 1 1 d . . . . .
C18 C 0.3069(2) 0.4862(2) 0.6250(2) 0.0274(4) Uani 1 1 d . . . . .
C17 C 0.5923(2) 0.4659(2) 0.8446(2) 0.0274(4) Uani 1 1 d . . . . .
C13 C 0.7585(2) 0.5966(2) 0.8019(2) 0.0294(4) Uani 1 1 d . . . . .
C1 C 0.4285(2) 0.2361(2) 0.3949(2) 0.0289(4) Uani 1 1 d . . . . .
H1A H 0.456443 0.208095 0.320679 0.035 Uiso 1 1 calc R U . . .
H1B H 0.329763 0.183709 0.360415 0.035 Uiso 1 1 calc R U . . .
C23 C 0.3021(2) 0.5978(2) 0.7134(2) 0.0312(5) Uani 1 1 d . . . . .
C19 C 0.1838(2) 0.3744(2) 0.5464(2) 0.0308(4) Uani 1 1 d . . . . .
C20 C 0.0636(2) 0.3737(3) 0.5527(2) 0.0359(5) Uani 1 1 d . . . . .
C16 C 0.6893(2) 0.4753(2) 0.9497(2) 0.0323(5) Uani 1 1 d . . . . .
C5 C 0.4285(2) 0.1388(2) 0.5517(2) 0.0314(5) Uani 1 1 d . . . . .
H5 H 0.333230 0.105600 0.518431 0.038 Uiso 1 1 calc R U . . .
C15 C 0.8227(2) 0.5470(2) 0.9803(2) 0.0352(5) Uani 1 1 d . . . . .
C14 C 0.8589(2) 0.6094(2) 0.9065(2) 0.0342(5) Uani 1 1 d . . . . .
C22 C 0.1861(2) 0.6036(3) 0.7244(2) 0.0366(5) Uani 1 1 d . . . . .
C3 C 0.6405(2) 0.2553(2) 0.5475(3) 0.0386(5) Uani 1 1 d . . . . .
H3 H 0.688274 0.300583 0.509271 0.046 Uiso 1 1 calc R U . . .
C21 C 0.0655(2) 0.4889(3) 0.6424(2) 0.0377(5) Uani 1 1 d . . . . .
C6 C 0.4968(3) 0.1169(2) 0.6554(2) 0.0401(6) Uani 1 1 d . . . . .
C24 C 0.0714(3) 0.0990(3) 0.7671(3) 0.0460(6) Uani 1 1 d . . . . .
C7 C 0.6392(3) 0.1691(2) 0.7042(2) 0.0474(7) Uani 1 1 d . . . . .
C27 C 0.2571(3) 0.1127(3) 0.9755(3) 0.0508(7) Uani 1 1 d . . . . .
H27 H 0.322309 0.120013 1.049425 0.061 Uiso 1 1 calc R U . . .
C25 C 0.2019(3) 0.1876(3) 0.8138(3) 0.0460(6) Uani 1 1 d . . . . .
H25 H 0.228245 0.243886 0.774837 0.055 Uiso 1 1 calc R U . . .
C4 C 0.7092(3) 0.2377(3) 0.6473(3) 0.0481(7) Uani 1 1 d . . . . .
H4 H 0.804494 0.271488 0.678931 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2947(3) 0.1943(3) 0.9180(3) 0.0468(6) Uani 1 1 d . . . . .
H26 H 0.386589 0.255975 0.951592 0.056 Uiso 1 1 calc R U . . .
C29 C 0.0282(3) 0.0146(3) 0.8187(3) 0.0572(7) Uani 1 1 d . . . . .
H29 H -0.064072 -0.046451 0.783722 0.069 Uiso 1 1 calc R U . . .
C11 C 0.4271(4) 0.0477(3) 0.7109(3) 0.0555(8) Uani 1 1 d . . . . .
H11 H 0.331516 0.009944 0.677286 0.067 Uiso 1 1 calc R U . . .
C8 C 0.7089(4) 0.1526(3) 0.8114(3) 0.0680(11) Uani 1 1 d . . . . .
H8 H 0.804311 0.187061 0.844901 0.082 Uiso 1 1 calc R U . . .
C10 C 0.5005(6) 0.0351(4) 0.8165(3) 0.0761(13) Uani 1 1 d . . . . .
H10 H 0.454540 -0.010541 0.855587 0.091 Uiso 1 1 calc R U . . .
C28 C 0.1248(3) 0.0212(3) 0.9251(4) 0.0616(8) Uani 1 1 d . . . . .
H28 H 0.098731 -0.037421 0.961914 0.074 Uiso 1 1 calc R U . . .
C9 C 0.6418(6) 0.0894(4) 0.8654(3) 0.0819(14) Uani 1 1 d . . . . .
H9 H 0.690248 0.080928 0.937909 0.098 Uiso 1 1 calc R U . . .
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'
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'
O O 0.0492 0.0322 '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
O1 Al1 Al1 40.18(4) 2_666 2_666 ?
O1 Al1 Al1 40.26(4) . 2_666 ?
O1 Al1 O1 80.44(7) . 2_666 ?
O1 Al1 C12 115.66(8) . . ?
O1 Al1 C12 113.71(8) 2_666 . ?
O1 Al1 C18 115.02(8) . . ?
O1 Al1 C18 110.20(8) 2_666 . ?
C12 Al1 Al1 123.15(7) . 2_666 ?
C12 Al1 C18 116.43(8) . . ?
C18 Al1 Al1 120.20(7) . 2_666 ?
Al1 O1 Al1 99.56(7) . 2_666 ?
C1 O1 Al1 130.43(12) . 2_666 ?
C1 O1 Al1 129.75(12) . . ?
C17 C12 Al1 121.70(15) . . ?
C13 C12 Al1 123.44(15) . . ?
C13 C12 C17 114.78(19) . . ?
C5 C2 C1 121.3(2) . . ?
C5 C2 C3 120.1(2) . . ?
C3 C2 C1 118.6(2) . . ?
C23 C18 Al1 119.92(16) . . ?
C23 C18 C19 114.75(19) . . ?
C19 C18 Al1 125.21(16) . . ?
F5 C17 C12 119.31(18) . . ?
F5 C17 C16 117.17(18) . . ?
C16 C17 C12 123.5(2) . . ?
F1 C13 C12 119.53(18) . . ?
F1 C13 C14 116.71(19) . . ?
C14 C13 C12 123.8(2) . . ?
O1 C1 C2 109.45(16) . . ?
O1 C1 H1A 109.8 . . ?
O1 C1 H1B 109.8 . . ?
C2 C1 H1A 109.8 . . ?
C2 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
F6 C23 C18 118.80(19) . . ?
F6 C23 C22 116.5(2) . . ?
C18 C23 C22 124.7(2) . . ?
F10 C19 C18 119.61(19) . . ?
F10 C19 C20 117.1(2) . . ?
C18 C19 C20 123.3(2) . . ?
F9 C20 C19 121.4(2) . . ?
F9 C20 C21 119.4(2) . . ?
C21 C20 C19 119.1(2) . . ?
F4 C16 C17 120.7(2) . . ?
F4 C16 C15 120.1(2) . . ?
C15 C16 C17 119.2(2) . . ?
C2 C5 H5 119.6 . . ?
C2 C5 C6 120.8(2) . . ?
C6 C5 H5 119.6 . . ?
F3 C15 C16 120.4(2) . . ?
F3 C15 C14 119.6(2) . . ?
C16 C15 C14 120.0(2) . . ?
F2 C14 C13 121.1(2) . . ?
F2 C14 C15 120.1(2) . . ?
C13 C14 C15 118.8(2) . . ?
F7 C22 C23 121.8(2) . . ?
F7 C22 C21 120.1(2) . . ?
C23 C22 C21 118.1(2) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(2) . . ?
C4 C3 H3 119.6 . . ?
F8 C21 C20 120.1(2) . . ?
F8 C21 C22 119.8(2) . . ?
C20 C21 C22 120.0(2) . . ?
C7 C6 C5 118.4(2) . . ?
C11 C6 C5 121.8(3) . . ?
C11 C6 C7 119.8(3) . . ?
C25 C24 Cl1 118.6(2) . . ?
C25 C24 C29 123.0(3) . . ?
C29 C24 Cl1 118.3(2) . . ?
C6 C7 C8 118.9(3) . . ?
C4 C7 C6 119.7(2) . . ?
C4 C7 C8 121.4(3) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C28 C27 C26 119.6(3) . . ?
C24 C25 H25 120.7 . . ?
C24 C25 C26 118.7(3) . . ?
C26 C25 H25 120.7 . . ?
C3 C4 C7 120.2(2) . . ?
C3 C4 H4 119.9 . . ?
C7 C4 H4 119.9 . . ?
C27 C26 H26 119.5 . . ?
C25 C26 C27 121.0(3) . . ?
C25 C26 H26 119.5 . . ?
C24 C29 H29 121.0 . . ?
C24 C29 C28 117.9(3) . . ?
C28 C29 H29 121.0 . . ?
C6 C11 H11 120.5 . . ?
C10 C11 C6 119.0(4) . . ?
C10 C11 H11 120.5 . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8 119.6 . . ?
C11 C10 H10 119.7 . . ?
C11 C10 C9 120.6(3) . . ?
C9 C10 H10 119.7 . . ?
C27 C28 C29 119.7(3) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C8 C9 C10 121.0(3) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
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 Al1 2.7828(11) 2_666 ?
Al1 O1 1.8209(14) . ?
Al1 O1 1.8237(14) 2_666 ?
Al1 C12 1.971(2) . ?
Al1 C18 1.985(2) . ?
Cl1 C24 1.758(3) . ?
F5 C17 1.348(3) . ?
F1 C13 1.350(2) . ?
F6 C23 1.360(3) . ?
F10 C19 1.346(3) . ?
F4 C16 1.343(3) . ?
F9 C20 1.340(3) . ?
O1 C1 1.464(2) . ?
F8 C21 1.340(3) . ?
F3 C15 1.340(3) . ?
F2 C14 1.339(3) . ?
F7 C22 1.336(3) . ?
C12 C17 1.389(3) . ?
C12 C13 1.385(3) . ?
C2 C1 1.500(3) . ?
C2 C5 1.363(3) . ?
C2 C3 1.420(3) . ?
C18 C23 1.378(3) . ?
C18 C19 1.381(3) . ?
C17 C16 1.383(3) . ?
C13 C14 1.381(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C23 C22 1.378(3) . ?
C19 C20 1.386(3) . ?
C20 C21 1.377(4) . ?
C16 C15 1.370(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.426(3) . ?
C15 C14 1.386(3) . ?
C22 C21 1.384(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.359(4) . ?
C6 C7 1.418(4) . ?
C6 C11 1.405(4) . ?
C24 C25 1.354(4) . ?
C24 C29 1.369(4) . ?
C7 C4 1.416(4) . ?
C7 C8 1.424(4) . ?
C27 H27 0.9500 . ?
C27 C26 1.386(4) . ?
C27 C28 1.374(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.364(4) . ?
C4 H4 0.9500 . ?
C26 H26 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.406(5) . ?
C11 H11 0.9500 . ?
C11 C10 1.398(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.335(6) . ?
C10 H10 0.9500 . ?
C10 C9 1.405(7) . ?
C28 H28 0.9500 . ?
C9 H9 0.9500 . ?
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 Al1 O1 C1 174.56(19) 2_666 . . . ?
Al1 O1 C1 C2 -41.1(2) . . . . ?
Al1 O1 C1 C2 131.84(16) 2_666 . . . ?
Al1 C12 C17 F5 -3.8(3) . . . . ?
Al1 C12 C17 C16 176.15(16) . . . . ?
Al1 C12 C13 F1 3.7(3) . . . . ?
Al1 C12 C13 C14 -176.43(17) . . . . ?
Al1 C18 C23 F6 -5.3(3) . . . . ?
Al1 C18 C23 C22 174.90(18) . . . . ?
Al1 C18 C19 F10 5.8(3) . . . . ?
Al1 C18 C19 C20 -174.67(17) . . . . ?
Cl1 C24 C25 C26 179.0(2) . . . . ?
Cl1 C24 C29 C28 -179.7(3) . . . . ?
F5 C17 C16 F4 -0.3(3) . . . . ?
F5 C17 C16 C15 -179.60(19) . . . . ?
F1 C13 C14 F2 1.0(3) . . . . ?
F1 C13 C14 C15 -179.9(2) . . . . ?
F6 C23 C22 F7 1.0(3) . . . . ?
F6 C23 C22 C21 -178.9(2) . . . . ?
F10 C19 C20 F9 -2.8(3) . . . . ?
F10 C19 C20 C21 178.6(2) . . . . ?
F4 C16 C15 F3 -0.3(3) . . . . ?
F4 C16 C15 C14 -179.1(2) . . . . ?
F9 C20 C21 F8 0.8(3) . . . . ?
F9 C20 C21 C22 -178.3(2) . . . . ?
O1 Al1 O1 Al1 0.0 2_666 . . 2_666 ?
O1 Al1 O1 C1 174.56(19) 2_666 . . . ?
F3 C15 C14 F2 -0.3(3) . . . . ?
F3 C15 C14 C13 -179.3(2) . . . . ?
F7 C22 C21 F8 0.7(3) . . . . ?
F7 C22 C21 C20 179.8(2) . . . . ?
C12 Al1 O1 Al1 -111.80(9) . . . 2_666 ?
C12 Al1 O1 C1 62.76(18) . . . . ?
C12 C17 C16 F4 179.79(19) . . . . ?
C12 C17 C16 C15 0.5(3) . . . . ?
C12 C13 C14 F2 -178.9(2) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
C2 C5 C6 C7 0.7(3) . . . . ?
C2 C5 C6 C11 179.7(2) . . . . ?
C2 C3 C4 C7 0.7(4) . . . . ?
C18 Al1 O1 Al1 107.92(9) . . . 2_666 ?
C18 Al1 O1 C1 -77.52(17) . . . . ?
C18 C23 C22 F7 -179.2(2) . . . . ?
C18 C23 C22 C21 0.9(4) . . . . ?
C18 C19 C20 F9 177.7(2) . . . . ?
C18 C19 C20 C21 -1.0(3) . . . . ?
C17 C12 C13 F1 -179.42(18) . . . . ?
C17 C12 C13 C14 0.5(3) . . . . ?
C17 C16 C15 F3 179.0(2) . . . . ?
C17 C16 C15 C14 0.3(3) . . . . ?
C13 C12 C17 F5 179.26(18) . . . . ?
C13 C12 C17 C16 -0.8(3) . . . . ?
C1 C2 C5 C6 -177.24(18) . . . . ?
C1 C2 C3 C4 176.5(2) . . . . ?
C23 C18 C19 F10 -178.11(19) . . . . ?
C23 C18 C19 C20 1.4(3) . . . . ?
C23 C22 C21 F8 -179.4(2) . . . . ?
C23 C22 C21 C20 -0.3(3) . . . . ?
C19 C18 C23 F6 178.43(18) . . . . ?
C19 C18 C23 C22 -1.4(3) . . . . ?
C19 C20 C21 F8 179.5(2) . . . . ?
C19 C20 C21 C22 0.4(3) . . . . ?
C16 C15 C14 F2 178.5(2) . . . . ?
C16 C15 C14 C13 -0.6(3) . . . . ?
C5 C2 C1 O1 109.1(2) . . . . ?
C5 C2 C3 C4 -1.6(3) . . . . ?
C5 C6 C7 C4 -1.7(3) . . . . ?
C5 C6 C7 C8 177.5(2) . . . . ?
C5 C6 C11 C10 -177.0(2) . . . . ?
C3 C2 C1 O1 -69.0(2) . . . . ?
C3 C2 C5 C6 0.9(3) . . . . ?
C6 C7 C4 C3 1.0(4) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C6 C11 C10 C9 -0.8(4) . . . . ?
C24 C25 C26 C27 -0.1(4) . . . . ?
C24 C29 C28 C27 1.5(5) . . . . ?
C7 C6 C11 C10 1.9(4) . . . . ?
C7 C8 C9 C10 1.2(5) . . . . ?
C25 C24 C29 C28 0.0(5) . . . . ?
C4 C7 C8 C9 179.1(3) . . . . ?
C26 C27 C28 C29 -2.3(5) . . . . ?
C29 C24 C25 C26 -0.7(4) . . . . ?
C11 C6 C7 C4 179.4(2) . . . . ?
C11 C6 C7 C8 -1.5(3) . . . . ?
C11 C10 C9 C8 -0.8(5) . . . . ?
C8 C7 C4 C3 -178.2(2) . . . . ?
C28 C27 C26 C25 1.6(4) . . . . ?
