#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:49:51 +0300 (Tue, 05 May 2020) $
#$Revision: 251587 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/62/7126216.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_7126216
loop_
_publ_author_name
'Do, Dinh Cao Huan'
'Protchenko, Andrey V.'
'Fuentes, M Ángeles'
'Hicks, Jamie'
'Vasko, Petra'
'Aldridge, Simon'
_publ_section_title
;
 N-H cleavage vs. Werner complex formation: reactivity of cationic group
 14 tetrelenes towards amines.
;
_journal_issue                   34
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4684
_journal_page_last               4687
_journal_paper_doi               10.1039/d0cc00875c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C47 H50 Al F36 N5 O4 Si'
_chemical_formula_sum            'C47 H50 Al F36 N5 O4 Si'
_chemical_formula_weight         1487.99
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-02-01 deposited with the CCDC.	2020-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.318(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.8558(3)
_cell_length_b                   19.5631(5)
_cell_length_c                   14.1328(5)
_cell_measurement_reflns_used    4731
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1180
_cell_measurement_theta_min      3.1090
_cell_volume                     2976.98(16)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'SHELXLE (HUbschle, 2017)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15891
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.994
_diffrn_reflns_theta_min         3.879
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.979
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1500
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         5823
_refine_ls_number_restraints     249
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0671
_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)+(0.1192P)²+1.5213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1790
_refine_ls_wR_factor_ref         0.1983
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4575
_reflns_number_total             5823
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc00875c2.cif
_cod_data_source_block           025hdmaf17
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126216--7126223.cif.
;
_cod_original_cell_volume        2976.99(14)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7126216
_shelx_shelxl_version_number     2017/1
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.56730(9) 0.250000 0.33639(7) 0.0248(2) Uani 1 2 d DS T P . .
F11 F 0.3042(2) 0.250000 0.0590(2) 0.0563(7) Uani 1 2 d DS T P . .
F16 F 0.6697(3) 0.2731(2) 0.0208(3) 0.0591(14) Uani 0.5 1 d D U P . .
F17 F 0.6575(4) 0.1751(3) 0.0855(3) 0.0666(12) Uani 0.5 1 d D U P . .
F19 F 0.2907(6) 0.1578(3) 0.2993(5) 0.0797(16) Uani 0.5 1 d D . P A -2
F20 F 0.1287(4) 0.2036(4) 0.3445(4) 0.0868(18) Uani 0.5 1 d D . P A -2
F21 F 0.2362(3) 0.2587(9) 0.2529(3) 0.085(3) Uani 0.5 1 d D . P A -2
F25 F 0.2916(10) 0.1422(5) 0.4899(10) 0.105(3) Uani 0.5 1 d D . P B -2
F26 F 0.1897(5) 0.2295(3) 0.5295(4) 0.092(3) Uani 0.5 1 d D . P B -2
F27 F 0.3856(5) 0.2211(4) 0.5758(3) 0.096(3) Uani 0.5 1 d D . P B -2
C25 C 0.3271(4) 0.250000 0.4142(3) 0.0369(9) Uani 1 2 d DS T P . .
C26 C 0.2439(6) 0.2167(4) 0.3274(5) 0.0581(16) Uani 0.5 1 d D . P A -2
C28 C 0.2980(6) 0.2100(4) 0.5034(5) 0.0656(19) Uani 0.5 1 d D . P B -2
F1A F 0.9132(6) 0.1599(4) 0.3640(9) 0.122(3) Uani 0.519(3) 1 d D . P C 1
F2A F 0.9001(9) 0.0599(4) 0.4337(7) 0.098(3) Uani 0.519(3) 1 d D . P C 1
F3A F 0.8793(7) 0.1521(4) 0.5130(6) 0.128(4) Uani 0.519(3) 1 d D . P C 1
F4A F 0.7732(9) 0.0888(4) 0.2472(5) 0.115(2) Uani 0.519(3) 1 d D . P C 1
F5A F 0.6905(6) 0.0129(2) 0.3306(5) 0.090(2) Uani 0.519(3) 1 d D . P C 1
F6A F 0.5719(6) 0.0905(3) 0.2636(5) 0.108(3) Uani 0.519(3) 1 d D . P C 1
F7A F 0.6422(9) 0.1503(5) 0.5419(5) 0.113(4) Uani 0.519(3) 1 d D . P C 1
F8A F 0.6954(9) 0.0448(4) 0.5185(5) 0.121(3) Uani 0.519(3) 1 d D . P C 1
F9A F 0.5250(7) 0.0849(4) 0.4432(9) 0.118(3) Uani 0.519(3) 1 d D . P C 1
O1 O 0.6798(4) 0.1901(2) 0.3713(3) 0.0364(7) Uani 0.519(3) 1 d D . P C 1
C17A C 0.7114(16) 0.1250(9) 0.3965(11) 0.0382(7) Uani 0.519(3) 1 d D . P C 1
C18A C 0.8532(13) 0.1226(5) 0.4265(8) 0.089(2) Uani 0.519(3) 1 d D . P C 1
C19A C 0.6841(8) 0.0786(4) 0.3071(7) 0.083(3) Uani 0.519(3) 1 d D . P C 1
C20A C 0.6408(10) 0.0995(5) 0.4770(9) 0.090(3) Uani 0.519(3) 1 d D U P C 1
F1 F 0.8654(7) 0.1684(7) 0.3155(6) 0.138(5) Uani 0.481(3) 1 d D . P C 2
F2 F 0.9244(7) 0.0927(5) 0.4201(8) 0.098(3) Uani 0.481(3) 1 d D . P C 2
F3 F 0.8689(7) 0.1991(3) 0.4682(7) 0.139(4) Uani 0.481(3) 1 d D . P C 2
F4 F 0.7431(10) 0.0487(6) 0.2798(6) 0.115(2) Uani 0.481(3) 1 d D . P C 2
F5 F 0.7331(7) 0.0059(2) 0.4236(5) 0.094(2) Uani 0.481(3) 1 d D . P C 2
F6 F 0.5689(6) 0.0413(3) 0.3377(5) 0.090(2) Uani 0.481(3) 1 d D . P C 2
F7 F 0.7803(6) 0.1052(3) 0.5660(4) 0.0802(18) Uani 0.481(3) 1 d D . P C 2
F8 F 0.6576(7) 0.1907(4) 0.5313(4) 0.0709(18) Uani 0.481(3) 1 d D . P C 2
F9 F 0.5777(8) 0.0859(6) 0.5068(8) 0.126(4) Uani 0.481(3) 1 d D . P C 2
O1A O 0.6330(4) 0.1695(2) 0.3469(4) 0.0364(7) Uani 0.481(3) 1 d D . P C 2
C20 C 0.6836(9) 0.1268(5) 0.5020(12) 0.089(2) Uani 0.481(3) 1 d D U P C 2
C17 C 0.7131(18) 0.1274(10) 0.3991(12) 0.0382(7) Uani 0.481(3) 1 d D . P C 2
C18 C 0.8514(14) 0.1465(6) 0.4004(8) 0.089(2) Uani 0.481(3) 1 d D . P C 2
C19 C 0.6866(9) 0.0536(6) 0.3626(7) 0.083(3) Uani 0.481(3) 1 d D . P C 2
F10 F 0.4100(5) 0.1540(2) 0.0873(4) 0.0574(10) Uani 0.5 1 d D . P C -1
F12 F 0.4416(4) 0.2184(3) -0.0313(3) 0.0590(11) Uani 0.5 1 d D . P C -1
F13 F 0.4021(4) 0.3582(2) 0.1568(4) 0.0606(11) Uani 0.5 1 d D . P C -1
F14 F 0.4612(4) 0.3518(3) 0.0175(3) 0.0636(12) Uani 0.5 1 d D . P C -1
F15 F 0.5931(4) 0.3738(2) 0.1398(3) 0.0594(11) Uani 0.5 1 d D . P C -1
F22 F 0.3470(5) 0.3599(3) 0.3584(6) 0.0774(16) Uani 0.5 1 d D . P A -2
F23 F 0.1746(5) 0.3350(3) 0.4078(6) 0.092(2) Uani 0.5 1 d D . P A -2
F24 F 0.3415(9) 0.3452(6) 0.5108(8) 0.099(3) Uani 0.5 1 d D . P A -2
O2 O 0.5048(3) 0.2403(8) 0.2168(2) 0.032(3) Uani 0.5 1 d . . P C -1
O3 O 0.4477(3) 0.2387(5) 0.4039(3) 0.035(2) Uani 0.5 1 d . . P A -1
C21 C 0.5150(4) 0.2596(7) 0.1266(3) 0.031(3) Uani 0.5 1 d D . P C -1
C22 C 0.4171(5) 0.2189(3) 0.0599(4) 0.0439(13) Uani 0.5 1 d D . P C -1
C23 C 0.4919(6) 0.3378(4) 0.1095(5) 0.0457(15) Uani 0.5 1 d D . P C -1
C27 C 0.2960(6) 0.3244(4) 0.4225(5) 0.0628(18) Uani 0.5 1 d D . P A -2
Si1 Si 0.78784(9) 0.250000 0.82441(7) 0.0265(2) Uani 1 2 d S T P . .
C1 C 0.9260(2) 0.31429(13) 0.97448(17) 0.0251(5) Uani 1 1 d . . . . .
N1 N 0.85792(18) 0.32078(11) 0.88621(14) 0.0244(4) Uani 1 1 d . . . . .
N3 N 0.8135(4) 0.250000 0.7105(3) 0.0439(8) Uani 1 2 d DS T P . .
N2 N 0.9635(2) 0.37087(12) 1.02485(16) 0.0316(5) Uani 1 1 d . . . . .
C2 C 0.9557(3) 0.250000 1.0149(2) 0.0255(7) Uani 1 2 d S T P . .
H2 H 1.001275 0.250000 1.076899 0.031 Uiso 1 2 calc R U P . .
C3 C 1.0605(3) 0.36609(16) 1.1063(2) 0.0414(7) Uani 1 1 d . . . . .
H3C H 1.023860 0.351028 1.162654 0.062 Uiso 1 1 calc R U . . .
H3D H 1.099227 0.410990 1.118688 0.062 Uiso 1 1 calc R U . . .
H3E H 1.123487 0.333033 1.092149 0.062 Uiso 1 1 calc R U . . .
C4 C 0.8825(3) 0.43037(14) 1.0271(2) 0.0380(6) Uani 1 1 d . . . . .
H4A H 0.913269 0.467619 0.990122 0.057 Uiso 1 1 calc R U . . .
H4B H 0.881904 0.445187 1.093294 0.057 Uiso 1 1 calc R U . . .
H4C H 0.797945 0.418206 0.999430 0.057 Uiso 1 1 calc R U . . .
C5 C 0.8609(2) 0.38370(12) 0.83062(17) 0.0265(5) Uani 1 1 d . . . . .
C6 C 0.9722(2) 0.40275(13) 0.79663(19) 0.0300(5) Uani 1 1 d . . . . .
C7 C 0.9720(3) 0.46209(14) 0.7422(2) 0.0367(6) Uani 1 1 d . . . . .
H7 H 1.046767 0.476416 0.719877 0.044 Uiso 1 1 calc R U . . .
C8 C 0.8656(3) 0.50061(14) 0.7198(2) 0.0404(7) Uani 1 1 d . . . . .
H8 H 0.867453 0.540775 0.682245 0.048 Uiso 1 1 calc R U . . .
C9 C 0.7568(3) 0.48044(14) 0.7524(2) 0.0380(6) Uani 1 1 d . . . . .
H9 H 0.683852 0.506955 0.736166 0.046 Uiso 1 1 calc R U . . .
C10 C 0.7510(3) 0.42235(13) 0.80832(19) 0.0309(5) Uani 1 1 d . . . . .
C11 C 0.6280(3) 0.40351(16) 0.8416(2) 0.0385(6) Uani 1 1 d . . . . .
H11 H 0.642867 0.364732 0.887701 0.046 Uiso 1 1 calc R U . . .
C12 C 0.5729(4) 0.4634(2) 0.8928(3) 0.0603(10) Uani 1 1 d . . . . .
H12A H 0.633137 0.478731 0.946178 0.090 Uiso 1 1 calc R U . . .
H12B H 0.496621 0.448453 0.917076 0.090 Uiso 1 1 calc R U . . .
H12C H 0.553714 0.501261 0.847919 0.090 Uiso 1 1 calc R U . . .
C13 C 0.5349(3) 0.3797(2) 0.7575(3) 0.0495(8) Uani 1 1 d . . . . .
H13A H 0.514254 0.417992 0.713635 0.074 Uiso 1 1 calc R U . . .
H13B H 0.459327 0.363193 0.781179 0.074 Uiso 1 1 calc R U . . .
H13C H 0.571710 0.342618 0.723765 0.074 Uiso 1 1 calc R U . . .
C14 C 1.0916(3) 0.36125(14) 0.8137(2) 0.0368(6) Uani 1 1 d . . . . .
H14 H 1.073112 0.317723 0.846259 0.044 Uiso 1 1 calc R U . . .
C15 C 1.1925(3) 0.39920(18) 0.8783(3) 0.0471(7) Uani 1 1 d . . . . .
H15A H 1.213607 0.441571 0.847025 0.071 Uiso 1 1 calc R U . . .
H15B H 1.266541 0.370268 0.890337 0.071 Uiso 1 1 calc R U . . .
H15C H 1.162189 0.410134 0.938916 0.071 Uiso 1 1 calc R U . . .
C16 C 1.1386(3) 0.34295(18) 0.7192(3) 0.0518(8) Uani 1 1 d . . . . .
H16A H 1.071521 0.321463 0.676477 0.078 Uiso 1 1 calc R U . . .
H16B H 1.208559 0.311098 0.731308 0.078 Uiso 1 1 calc R U . . .
H16C H 1.165955 0.384576 0.689408 0.078 Uiso 1 1 calc R U . . .
H1 H 0.669(6) 0.250000 0.825(5) 0.062 Uiso 1 2 d S U P . .
F18 F 0.7341(2) 0.250000 0.1694(2) 0.0744(11) Uani 1 2 d DS TU P C .
C24 C 0.6469(5) 0.2415(6) 0.0999(4) 0.0472(18) Uani 0.5 1 d D U P . .
H3A H 0.772(5) 0.250000 0.661(4) 0.057 Uiso 1 2 d DS U P . .
H3B H 0.881(4) 0.250000 0.698(5) 0.057 Uiso 1 2 d DS U P . .
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'
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'
Si Si 0.2541 0.3302 '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 O1 86.0(3) . 4_565 ?
O1 Al1 O3 108.2(3) . . ?
O1 Al1 O3 119.2(3) 4_565 . ?
O1 Al1 O1A 109.1(3) . 4_565 ?
O1 Al1 O1A 23.51(16) 4_565 4_565 ?
O3 Al1 O1A 113.7(4) . 4_565 ?
O1A Al1 O1A 131.5(3) 4_565 . ?
O1 Al1 O2 112.1(4) . . ?
O1 Al1 O2 121.7(4) 4_565 . ?
O3 Al1 O2 107.1(2) . . ?
F16 F16 C24 76.3(6) 4_565 4_565 ?
F16 F16 C24 62.3(5) 4_565 . ?
C24 F16 C24 14.1(10) 4_565 . ?
F16 F16 F17 137.1(2) 4_565 4_565 ?
C24 F16 F17 60.9(6) 4_565 4_565 ?
C24 F16 F17 75.0(6) . 4_565 ?
C24 F17 F16 53.0(4) . 4_565 ?
C24 F17 C24 2.14(16) . 4_565 ?
F16 F17 C24 51.0(3) 4_565 4_565 ?
O3 C25 C27 94.6(5) . 4_565 ?
C27 C25 C27 151.3(6) 4_565 . ?
O3 C25 C28 118.0(4) . 4_565 ?
C27 C25 C28 51.4(4) 4_565 . ?
C27 C25 C28 110.8(4) . . ?
C28 C25 C28 60.7(6) 4_565 . ?
C27 C25 C26 63.0(4) 4_565 . ?
C27 C25 C26 110.5(5) . . ?
C28 C25 C26 133.5(4) 4_565 . ?
C28 C25 C26 105.6(4) . . ?
O3 C25 C26 116.9(4) . 4_565 ?
F20 C26 F21 107.3(6) . . ?
F20 C26 F19 106.8(7) . . ?
F21 C26 F19 106.6(8) . . ?
F20 C26 C25 113.5(5) . . ?
F21 C26 C25 109.5(7) . . ?
F19 C26 C25 112.7(5) . . ?
F27 C28 F26 108.1(6) . . ?
F27 C28 F25 107.0(8) . . ?
F26 C28 F25 107.0(7) . . ?
F27 C28 C25 110.2(5) . . ?
F26 C28 C25 111.0(5) . . ?
F25 C28 C25 113.3(7) . . ?
C17A O1 Al1 149.7(7) . . ?
O1 C17A C20A 111.5(12) . . ?
O1 C17A C18A 108.1(10) . . ?
C20A C17A C18A 111.2(13) . . ?
O1 C17A C19A 108.6(12) . . ?
C20A C17A C19A 110.6(11) . . ?
C18A C17A C19A 106.6(12) . . ?
F2A C18A F3A 106.9(9) . . ?
F2A C18A F1A 109.4(10) . . ?
F3A C18A F1A 107.1(11) . . ?
F2A C18A C17A 114.1(12) . . ?
F3A C18A C17A 108.8(9) . . ?
F1A C18A C17A 110.3(10) . . ?
F6A C19A F5A 107.8(8) . . ?
F6A C19A F4A 111.6(9) . . ?
F5A C19A F4A 106.0(8) . . ?
F6A C19A C17A 110.2(10) . . ?
F5A C19A C17A 111.3(11) . . ?
F4A C19A C17A 109.8(9) . . ?
F9A C20A F8A 109.7(10) . . ?
F9A C20A F7A 109.4(10) . . ?
F8A C20A F7A 109.2(9) . . ?
F9A C20A C17A 110.2(11) . . ?
F8A C20A C17A 110.7(12) . . ?
F7A C20A C17A 107.5(9) . . ?
C17 O1A Al1 146.7(7) . . ?
F8 C20 F7 104.8(10) . . ?
F8 C20 F9 107.8(10) . . ?
F7 C20 F9 110.8(10) . . ?
F8 C20 C17 111.2(11) . . ?
F7 C20 C17 113.4(13) . . ?
F9 C20 C17 108.7(12) . . ?
O1A C17 C20 109.0(13) . . ?
O1A C17 C18 114.7(13) . . ?
C20 C17 C18 108.1(12) . . ?
O1A C17 C19 108.0(11) . . ?
C20 C17 C19 104.9(13) . . ?
C18 C17 C19 111.6(14) . . ?
F1 C18 F2 108.5(11) . . ?
F1 C18 F3 111.5(12) . . ?
F2 C18 F3 114.5(10) . . ?
F1 C18 C17 107.2(11) . . ?
F2 C18 C17 111.4(14) . . ?
F3 C18 C17 103.5(9) . . ?
F6 C19 F5 108.9(9) . . ?
F6 C19 F4 106.3(9) . . ?
F5 C19 F4 109.0(9) . . ?
F6 C19 C17 113.4(9) . . ?
F5 C19 C17 113.7(12) . . ?
F4 C19 C17 105.2(10) . . ?
C21 O2 Al1 144.6(8) . . ?
C25 O3 Al1 147.9(5) . . ?
O2 C21 C22 107.4(8) . . ?
O2 C21 C23 112.9(9) . . ?
C22 C21 C23 108.9(5) . . ?
O2 C21 C24 110.7(6) . . ?
C22 C21 C24 108.4(6) . . ?
C23 C21 C24 108.5(7) . . ?
F10 C22 F12 107.2(5) . . ?
F10 C22 F11 110.0(5) . . ?
F12 C22 F11 106.3(5) . . ?
F10 C22 C21 111.9(6) . . ?
F12 C22 C21 112.5(5) . . ?
F11 C22 C21 108.8(5) . . ?
F13 C23 F14 108.9(7) . . ?
F13 C23 F15 108.2(6) . . ?
F14 C23 F15 107.5(5) . . ?
F13 C23 C21 109.5(5) . . ?
F14 C23 C21 111.6(5) . . ?
F15 C23 C21 111.1(6) . . ?
F22 C27 F23 107.9(6) . . ?
F22 C27 F24 110.0(8) . . ?
F23 C27 F24 109.9(7) . . ?
F22 C27 C25 109.8(5) . . ?
F23 C27 C25 111.6(6) . . ?
F24 C27 C25 107.8(7) . . ?
N3 Si1 N1 111.39(11) . . ?
N3 Si1 N1 111.39(11) . 4_565 ?
N1 Si1 N1 103.95(14) . 4_565 ?
N3 Si1 H1 107(3) . . ?
N1 Si1 H1 111.4(15) . . ?
N1 Si1 H1 111.4(16) 4_565 . ?
N2 C1 N1 119.6(2) . . ?
N2 C1 C2 118.8(2) . . ?
N1 C1 C2 121.5(2) . . ?
C1 N1 C5 121.3(2) . . ?
C1 N1 Si1 121.85(17) . . ?
C5 N1 Si1 115.70(16) . . ?
Si1 N3 H3A 136(5) . . ?
Si1 N3 H3B 120(5) . . ?
H3A N3 H3B 104(7) . . ?
C1 N2 C3 120.1(2) . . ?
C1 N2 C4 121.5(2) . . ?
C3 N2 C4 114.2(2) . . ?
C1 C2 C1 127.6(3) 4_565 . ?
C1 C2 H2 116.2 4_565 . ?
C1 C2 H2 116.2 . . ?
N2 C3 H3C 109.5 . . ?
N2 C3 H3D 109.5 . . ?
H3C C3 H3D 109.5 . . ?
N2 C3 H3E 109.5 . . ?
H3C C3 H3E 109.5 . . ?
H3D C3 H3E 109.5 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 121.3(2) . . ?
C6 C5 N1 119.0(2) . . ?
C10 C5 N1 119.6(2) . . ?
C7 C6 C5 117.9(2) . . ?
C7 C6 C14 118.3(2) . . ?
C5 C6 C14 123.8(2) . . ?
C8 C7 C6 121.6(3) . . ?
C8 C7 H7 119.2 . . ?
C6 C7 H7 119.2 . . ?
C9 C8 C7 119.6(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 121.8(3) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C5 117.8(3) . . ?
C9 C10 C11 118.7(2) . . ?
C5 C10 C11 123.5(2) . . ?
C10 C11 C13 110.7(2) . . ?
C10 C11 C12 111.8(3) . . ?
C13 C11 C12 109.9(3) . . ?
C10 C11 H11 108.1 . . ?
C13 C11 H11 108.1 . . ?
C12 C11 H11 108.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 C15 111.6(2) . . ?
C6 C14 C16 111.0(3) . . ?
C15 C14 C16 109.9(3) . . ?
C6 C14 H14 108.1 . . ?
C15 C14 H14 108.1 . . ?
C16 C14 H14 108.1 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C24 F18 C24 14.8(10) 4_565 . ?
C24 C24 F16 103.7(6) 4_565 4_565 ?
C24 C24 F18 82.6(5) 4_565 . ?
F16 C24 F18 121.3(5) 4_565 . ?
C24 C24 F17 169.3(3) 4_565 . ?
F16 C24 F17 66.0(6) 4_565 . ?
F18 C24 F17 100.0(6) . . ?
C24 C24 F16 62.3(5) 4_565 . ?
F16 C24 F16 41.4(5) 4_565 . ?
F18 C24 F16 112.7(6) . . ?
F17 C24 F16 107.4(6) . . ?
C24 C24 C21 77.0(6) 4_565 . ?
F16 C24 C21 125.3(5) 4_565 . ?
F18 C24 C21 113.1(5) . . ?
F17 C24 C21 111.0(7) . . ?
F16 C24 C21 111.9(6) . . ?
C24 C24 F17 8.6(3) 4_565 4_565 ?
F16 C24 F17 95.4(6) 4_565 4_565 ?
F18 C24 F17 84.9(6) . 4_565 ?
F17 C24 F17 160.8(6) . 4_565 ?
F16 C24 F17 54.0(5) . 4_565 ?
C21 C24 F17 83.5(7) . 4_565 ?
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 O1 1.719(4) . ?
Al1 O1 1.719(4) 4_565 ?
Al1 O3 1.720(4) . ?
Al1 O1A 1.727(4) 4_565 ?
Al1 O1A 1.727(4) . ?
Al1 O2 1.750(4) . ?
F11 C22 1.366(7) . ?
F16 F16 0.904(10) 4_565 ?
F16 C24 1.208(7) 4_565 ?
F16 C24 1.327(7) . ?
F16 F17 1.382(7) 4_565 ?
F17 C24 1.322(12) . ?
F17 C24 1.649(13) 4_565 ?
F19 C26 1.340(8) . ?
F20 C26 1.328(7) . ?
F21 C26 1.330(11) . ?
F25 C28 1.339(10) . ?
F26 C28 1.332(7) . ?
F27 C28 1.323(8) . ?
C25 O3 1.354(5) . ?
C25 C27 1.503(8) 4_565 ?
C25 C27 1.503(8) . ?
C25 C28 1.551(7) 4_565 ?
C25 C28 1.551(7) . ?
C25 C26 1.569(8) . ?
C25 C26 1.569(8) 4_565 ?
F1A C18A 1.372(12) . ?
F2A C18A 1.326(10) . ?
F3A C18A 1.349(12) . ?
F4A C19A 1.378(11) . ?
F5A C19A 1.327(9) . ?
F6A C19A 1.313(9) . ?
F7A C20A 1.351(12) . ?
F8A C20A 1.324(10) . ?
F9A C20A 1.318(12) . ?
O1 C17A 1.36(2) . ?
C17A C20A 1.533(13) . ?
C17A C18A 1.545(13) . ?
C17A C19A 1.554(12) . ?
F1 C18 1.302(12) . ?
F2 C18 1.324(10) . ?
F3 C18 1.402(12) . ?
F4 C19 1.393(11) . ?
F5 C19 1.327(10) . ?
F6 C19 1.304(10) . ?
F7 C20 1.363(11) . ?
F8 C20 1.357(12) . ?
F9 C20 1.410(12) . ?
O1A C17 1.35(2) . ?
C20 C17 1.528(14) . ?
C17 C18 1.545(13) . ?
C17 C19 1.547(13) . ?
F10 C22 1.332(8) . ?
F12 C22 1.350(7) . ?
F13 C23 1.313(8) . ?
F14 C23 1.329(8) . ?
F15 C23 1.329(7) . ?
F22 C27 1.318(8) . ?
F23 C27 1.323(8) . ?
F24 C27 1.344(10) . ?
O2 C21 1.347(8) . ?
C21 C22 1.548(9) . ?
C21 C23 1.564(12) . ?
C21 C24 1.567(7) . ?
Si1 N3 1.669(4) . ?
Si1 N1 1.758(2) . ?
Si1 N1 1.758(2) 4_565 ?
Si1 H1 1.29(7) . ?
C1 N2 1.351(3) . ?
C1 N1 1.372(3) . ?
C1 C2 1.402(3) . ?
N1 C5 1.463(3) . ?
N3 H3A 0.78(4) . ?
N3 H3B 0.77(4) . ?
N2 C3 1.461(4) . ?
N2 C4 1.462(4) . ?
C2 H2 0.9500 . ?
C3 H3C 0.9800 . ?
C3 H3D 0.9800 . ?
C3 H3E 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.407(4) . ?
C5 C10 1.414(4) . ?
C6 C7 1.393(4) . ?
C6 C14 1.522(4) . ?
C7 C8 1.381(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.379(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.516(4) . ?
C11 C13 1.531(5) . ?
C11 C12 1.539(4) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.526(5) . ?
C14 C16 1.532(5) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
F18 C24 1.286(6) 4_565 ?
F18 C24 1.286(6) . ?
C24 C24 0.33(2) 4_565 ?
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
C27 C25 C26 F20 72.4(7) 4_565 . . . ?
C27 C25 C26 F20 -77.0(8) . . . . ?
C28 C25 C26 F20 -21.3(10) 4_565 . . . ?
C28 C25 C26 F20 42.9(8) . . . . ?
C26 C25 C26 F20 -91.9(6) 4_565 . . . ?
C27 C25 C26 F21 -167.7(7) 4_565 . . . ?
C27 C25 C26 F21 42.9(6) . . . . ?
C28 C25 C26 F21 98.6(7) 4_565 . . . ?
C28 C25 C26 F21 162.8(5) . . . . ?
C26 C25 C26 F21 28.0(6) 4_565 . . . ?
C27 C25 C26 F19 -49.2(6) 4_565 . . . ?
C27 C25 C26 F19 161.4(5) . . . . ?
C28 C25 C26 F19 -142.9(6) 4_565 . . . ?
C28 C25 C26 F19 -78.7(6) . . . . ?
C26 C25 C26 F19 146.5(4) 4_565 . . . ?
C27 C25 C28 F27 129.0(7) 4_565 . . . ?
C27 C25 C28 F27 -77.1(7) . . . . ?
C28 C25 C28 F27 -65.2(6) 4_565 . . . ?
C26 C25 C28 F27 163.2(6) . . . . ?
C26 C25 C28 F27 -149.1(6) 4_565 . . . ?
C27 C25 C28 F26 -111.3(7) 4_565 . . . ?
C27 C25 C28 F26 42.6(8) . . . . ?
C28 C25 C28 F26 54.5(7) 4_565 . . . ?
C26 C25 C28 F26 -77.1(7) . . . . ?
C26 C25 C28 F26 -29.4(9) 4_565 . . . ?
C27 C25 C28 F25 9.1(7) 4_565 . . . ?
C27 C25 C28 F25 163.0(7) . . . . ?
C28 C25 C28 F25 174.9(6) 4_565 . . . ?
C26 C25 C28 F25 43.3(8) . . . . ?
C26 C25 C28 F25 91.0(8) 4_565 . . . ?
O1 Al1 O1 C17A 162.1(13) 4_565 . . . ?
O3 Al1 O1 C17A 42.7(14) . . . . ?
O2 Al1 O1 C17A -75.3(14) . . . . ?
Al1 O1 C17A C20A -52.4(18) . . . . ?
Al1 O1 C17A C18A -175.0(8) . . . . ?
Al1 O1 C17A C19A 69.8(17) . . . . ?
O1 C17A C18A F2A -166.6(10) . . . . ?
C20A C17A C18A F2A 70.7(14) . . . . ?
C19A C17A C18A F2A -50.0(15) . . . . ?
O1 C17A C18A F3A 74.1(12) . . . . ?
C20A C17A C18A F3A -48.6(14) . . . . ?
C19A C17A C18A F3A -169.3(10) . . . . ?
O1 C17A C18A F1A -43.0(13) . . . . ?
C20A C17A C18A F1A -165.8(10) . . . . ?
C19A C17A C18A F1A 73.6(14) . . . . ?
O1 C17A C19A F6A -48.5(13) . . . . ?
C20A C17A C19A F6A 74.3(16) . . . . ?
C18A C17A C19A F6A -164.7(11) . . . . ?
O1 C17A C19A F5A -168.0(9) . . . . ?
C20A C17A C19A F5A -45.3(16) . . . . ?
C18A C17A C19A F5A 75.7(13) . . . . ?
O1 C17A C19A F4A 74.9(12) . . . . ?
C20A C17A C19A F4A -162.4(11) . . . . ?
C18A C17A C19A F4A -41.3(14) . . . . ?
O1 C17A C20A F9A 75.7(12) . . . . ?
C18A C17A C20A F9A -163.6(9) . . . . ?
C19A C17A C20A F9A -45.3(16) . . . . ?
O1 C17A C20A F8A -162.8(10) . . . . ?
C18A C17A C20A F8A -42.0(14) . . . . ?
C19A C17A C20A F8A 76.2(16) . . . . ?
O1 C17A C20A F7A -43.6(14) . . . . ?
C18A C17A C20A F7A 77.1(14) . . . . ?
C19A C17A C20A F7A -164.6(11) . . . . ?
O1A Al1 O1A C17 48.4(16) 4_565 . . . ?
Al1 O1A C17 C20 52.2(19) . . . . ?
Al1 O1A C17 C18 -69.1(19) . . . . ?
Al1 O1A C17 C19 165.7(8) . . . . ?
F8 C20 C17 O1A -41.7(13) . . . . ?
F7 C20 C17 O1A -159.4(9) . . . . ?
F9 C20 C17 O1A 76.8(13) . . . . ?
F8 C20 C17 C18 83.6(15) . . . . ?
F7 C20 C17 C18 -34.2(17) . . . . ?
F9 C20 C17 C18 -157.9(11) . . . . ?
F8 C20 C17 C19 -157.1(11) . . . . ?
F7 C20 C17 C19 85.1(13) . . . . ?
F9 C20 C17 C19 -38.7(16) . . . . ?
O1A C17 C18 F1 -37.7(15) . . . . ?
C20 C17 C18 F1 -159.6(13) . . . . ?
C19 C17 C18 F1 85.5(16) . . . . ?
O1A C17 C18 F2 -156.3(11) . . . . ?
C20 C17 C18 F2 81.8(15) . . . . ?
C19 C17 C18 F2 -33.1(17) . . . . ?
O1A C17 C18 F3 80.2(12) . . . . ?
C20 C17 C18 F3 -41.7(15) . . . . ?
C19 C17 C18 F3 -156.6(11) . . . . ?
O1A C17 C19 F6 -36.8(15) . . . . ?
C20 C17 C19 F6 79.4(15) . . . . ?
C18 C17 C19 F6 -163.7(11) . . . . ?
O1A C17 C19 F5 -161.9(10) . . . . ?
C20 C17 C19 F5 -45.7(15) . . . . ?
C18 C17 C19 F5 71.2(15) . . . . ?
O1A C17 C19 F4 79.0(12) . . . . ?
C20 C17 C19 F4 -164.8(11) . . . . ?
C18 C17 C19 F4 -47.9(15) . . . . ?
O1 Al1 O2 C21 -91.5(17) . . . . ?
O1 Al1 O2 C21 7.8(18) 4_565 . . . ?
O3 Al1 O2 C21 150.0(15) . . . . ?
O1 Al1 O3 C25 -161.1(11) . . . . ?
O1 Al1 O3 C25 103.2(11) 4_565 . . . ?
O2 Al1 O3 C25 -40.1(13) . . . . ?
Al1 O2 C21 C22 176.6(12) . . . . ?
Al1 O2 C21 C23 -63.4(15) . . . . ?
Al1 O2 C21 C24 58(2) . . . . ?
O2 C21 C22 F10 -41.0(9) . . . . ?
C23 C21 C22 F10 -163.6(5) . . . . ?
C24 C21 C22 F10 78.6(8) . . . . ?
O2 C21 C22 F12 -161.8(7) . . . . ?
C23 C21 C22 F12 75.6(6) . . . . ?
C24 C21 C22 F12 -42.2(9) . . . . ?
O2 C21 C22 F11 80.8(9) . . . . ?
C23 C21 C22 F11 -41.8(6) . . . . ?
C24 C21 C22 F11 -159.6(6) . . . . ?
O2 C21 C23 F13 -38.2(7) . . . . ?
C22 C21 C23 F13 81.0(6) . . . . ?
C24 C21 C23 F13 -161.3(5) . . . . ?
O2 C21 C23 F14 -158.9(5) . . . . ?
C22 C21 C23 F14 -39.7(6) . . . . ?
C24 C21 C23 F14 78.1(6) . . . . ?
O2 C21 C23 F15 81.2(6) . . . . ?
C22 C21 C23 F15 -159.6(5) . . . . ?
C24 C21 C23 F15 -41.8(6) . . . . ?
C27 C25 C27 F22 -148.8(11) 4_565 . . . ?
C28 C25 C27 F22 152.3(8) 4_565 . . . ?
C28 C25 C27 F22 165.5(6) . . . . ?
C26 C25 C27 F22 -77.8(7) . . . . ?
C26 C25 C27 F22 -65.2(6) 4_565 . . . ?
C27 C25 C27 F23 -29.3(18) 4_565 . . . ?
C28 C25 C27 F23 -88.2(7) 4_565 . . . ?
C28 C25 C27 F23 -75.0(7) . . . . ?
C26 C25 C27 F23 41.8(7) . . . . ?
C26 C25 C27 F23 54.4(6) 4_565 . . . ?
C27 C25 C27 F24 91.4(15) 4_565 . . . ?
C28 C25 C27 F24 32.5(6) 4_565 . . . ?
C28 C25 C27 F24 45.8(7) . . . . ?
C26 C25 C27 F24 162.5(6) . . . . ?
C26 C25 C27 F24 175.1(7) 4_565 . . . ?
N2 C1 N1 C5 21.8(3) . . . . ?
C2 C1 N1 C5 -159.6(2) . . . . ?
N2 C1 N1 Si1 -170.88(18) . . . . ?
C2 C1 N1 Si1 7.8(3) . . . . ?
N3 Si1 N1 C1 -133.9(2) . . . . ?
N1 Si1 N1 C1 -13.8(2) 4_565 . . . ?
N3 Si1 N1 C5 34.2(2) . . . . ?
N1 Si1 N1 C5 154.23(13) 4_565 . . . ?
N1 C1 N2 C3 -164.6(2) . . . . ?
C2 C1 N2 C3 16.7(4) . . . . ?
N1 C1 N2 C4 40.0(3) . . . . ?
C2 C1 N2 C4 -138.7(3) . . . . ?
N2 C1 C2 C1 -179.8(2) . . . 4_565 ?
N1 C1 C2 C1 1.5(5) . . . 4_565 ?
C1 N1 C5 C6 66.0(3) . . . . ?
Si1 N1 C5 C6 -102.1(2) . . . . ?
C1 N1 C5 C10 -116.9(3) . . . . ?
Si1 N1 C5 C10 75.0(3) . . . . ?
C10 C5 C6 C7 1.7(4) . . . . ?
N1 C5 C6 C7 178.7(2) . . . . ?
C10 C5 C6 C14 -176.6(3) . . . . ?
N1 C5 C6 C14 0.4(4) . . . . ?
C5 C6 C7 C8 -1.5(4) . . . . ?
C14 C6 C7 C8 176.9(3) . . . . ?
C6 C7 C8 C9 0.4(4) . . . . ?
C7 C8 C9 C10 0.6(4) . . . . ?
C8 C9 C10 C5 -0.5(4) . . . . ?
C8 C9 C10 C11 179.9(3) . . . . ?
C6 C5 C10 C9 -0.7(4) . . . . ?
N1 C5 C10 C9 -177.7(2) . . . . ?
C6 C5 C10 C11 178.9(2) . . . . ?
N1 C5 C10 C11 1.9(4) . . . . ?
C9 C10 C11 C13 69.4(3) . . . . ?
C5 C10 C11 C13 -110.2(3) . . . . ?
C9 C10 C11 C12 -53.5(4) . . . . ?
C5 C10 C11 C12 126.9(3) . . . . ?
C7 C6 C14 C15 68.6(3) . . . . ?
C5 C6 C14 C15 -113.1(3) . . . . ?
C7 C6 C14 C16 -54.4(3) . . . . ?
C5 C6 C14 C16 123.9(3) . . . . ?
C24 F18 C24 F16 101.5(10) 4_565 . . 4_565 ?
C24 F18 C24 F17 169.5(3) 4_565 . . . ?
C24 F18 C24 F16 55.7(7) 4_565 . . . ?
C24 F18 C24 C21 -72.4(8) 4_565 . . . ?
C24 F18 C24 F17 8.3(3) 4_565 . . 4_565 ?
F16 F17 C24 C24 -16.6(17) 4_565 . . 4_565 ?
C24 F17 C24 F16 16.6(17) 4_565 . . 4_565 ?
F16 F17 C24 F18 -119.9(5) 4_565 . . . ?
C24 F17 C24 F18 -103.3(18) 4_565 . . . ?
F16 F17 C24 F16 -2.2(2) 4_565 . . . ?
C24 F17 C24 F16 14.5(15) 4_565 . . . ?
F16 F17 C24 C21 120.4(5) 4_565 . . . ?
C24 F17 C24 C21 137(2) 4_565 . . . ?
F16 F17 C24 F17 -16.6(16) 4_565 . . 4_565 ?
C24 F17 C24 F17 0.02(9) 4_565 . . 4_565 ?
F16 F16 C24 C24 179.995(4) 4_565 . . 4_565 ?
F17 F16 C24 C24 2.8(3) 4_565 . . 4_565 ?
C24 F16 C24 F16 180.005(3) 4_565 . . 4_565 ?
F17 F16 C24 F16 -177.2(3) 4_565 . . 4_565 ?
F16 F16 C24 F18 112.2(7) 4_565 . . . ?
C24 F16 C24 F18 -67.8(7) 4_565 . . . ?
F17 F16 C24 F18 -65.0(7) 4_565 . . . ?
F16 F16 C24 F17 3.0(3) 4_565 . . . ?
C24 F16 C24 F17 -177.0(3) 4_565 . . . ?
F17 F16 C24 F17 -174.2(6) 4_565 . . . ?
F16 F16 C24 C21 -119.1(7) 4_565 . . . ?
C24 F16 C24 C21 61.0(7) 4_565 . . . ?
F17 F16 C24 C21 63.8(7) 4_565 . . . ?
F16 F16 C24 F17 177.2(3) 4_565 . . 4_565 ?
C24 F16 C24 F17 -2.8(3) 4_565 . . 4_565 ?
O2 C21 C24 C24 -113.3(9) . . . 4_565 ?
C22 C21 C24 C24 129.2(6) . . . 4_565 ?
C23 C21 C24 C24 11.1(3) . . . 4_565 ?
O2 C21 C24 F16 149.1(11) . . . 4_565 ?
C22 C21 C24 F16 31.5(14) . . . 4_565 ?
C23 C21 C24 F16 -86.6(11) . . . 4_565 ?
O2 C21 C24 F18 -37.3(13) . . . . ?
C22 C21 C24 F18 -154.8(7) . . . . ?
C23 C21 C24 F18 87.1(8) . . . . ?
O2 C21 C24 F17 74.2(10) . . . . ?
C22 C21 C24 F17 -43.3(8) . . . . ?
C23 C21 C24 F17 -161.4(5) . . . . ?
O2 C21 C24 F16 -165.8(10) . . . . ?
C22 C21 C24 F16 76.7(10) . . . . ?
C23 C21 C24 F16 -41.4(8) . . . . ?
O2 C21 C24 F17 -118.9(10) . . . 4_565 ?
C22 C21 C24 F17 123.6(6) . . . 4_565 ?
C23 C21 C24 F17 5.5(5) . . . 4_565 ?
