#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:23:22 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/97/1549758.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_1549758
loop_
_publ_author_name
'Martens, Arthur'
'Weis, Philippe'
'Krummer, Michael Christian'
'Kreuzer, Marvin'
'Meierhöfer, Andreas'
'Meier, Stefan C.'
'Bohnenberger, Jan'
'Scherer, Harald'
'Riddlestone, Ian'
'Krossing, Ingo'
_publ_section_title
;
 Facile and systematic access to the least-coordinating WCA
 [(RFO)₃Al-F-Al(ORF)₃]⁻
 and its more Lewis-basic brother
 [F-Al(ORF)₃]⁻ (RF =
 C(CF₃)₃).
;
_journal_issue                   35
_journal_name_full               'Chemical science'
_journal_page_first              7058
_journal_page_last               7068
_journal_paper_doi               10.1039/c8sc02591f
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C24 Al2 F55 O6, C26 H58 Ag Br2 Cl4 Si2'
_chemical_formula_sum            'C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2'
_chemical_formula_weight         2319.57
_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'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                89.488(4)
_cell_angle_beta                 67.742(4)
_cell_angle_gamma                70.537(4)
_cell_formula_units_Z            2
_cell_length_a                   15.4760(18)
_cell_length_b                   16.615(2)
_cell_length_c                   18.2967(19)
_cell_measurement_reflns_used    9494
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.103
_cell_measurement_theta_min      4.487
_cell_volume                     4068.1(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            85154
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.099
_diffrn_reflns_theta_min         1.214
_diffrn_source                   'INCOATEC Mo Microsource'
_exptl_absorpt_coefficient_mu    1.582
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6110
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_description       needle
_exptl_crystal_F_000             2280.0
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2'
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1117
_refine_ls_number_reflns         16093
_refine_ls_number_restraints     5916
_refine_ls_restrained_S_all      0.910
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0311P)²+4.7751P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0693
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14316
_reflns_number_total             16093
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc02591f2.cif
_cod_data_source_block           p-1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 1549751--1549760.cif.'
_cod_original_cell_volume        4068.0(8)
_cod_database_code               1549758
_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.
;
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
O1_16 O 0.71505(11) 0.59236(9) 0.52058(9) 0.0196(3) Uani 1 1 d D U
C1_16 C 0.77103(15) 0.51657(13) 0.53412(12) 0.0180(4) Uani 1 1 d D U
C2_16 C 0.7778(2) 0.52999(15) 0.61508(15) 0.0357(6) Uani 1 1 d D U
F1_16 F 0.84385(14) 0.56811(10) 0.60788(12) 0.0536(5) Uani 1 1 d D U
F2_16 F 0.80788(17) 0.45495(11) 0.64240(11) 0.0615(6) Uani 1 1 d D U
F3_16 F 0.69161(15) 0.57860(11) 0.66877(9) 0.0541(5) Uani 1 1 d D U
C3_16 C 0.71962(17) 0.45016(14) 0.53716(14) 0.0277(5) Uani 1 1 d D U
F4_16 F 0.68876(14) 0.45481(10) 0.47896(11) 0.0501(4) Uani 1 1 d D U
F5_16 F 0.64064(12) 0.46520(10) 0.60544(10) 0.0481(4) Uani 1 1 d D U
F6_16 F 0.78039(12) 0.36943(8) 0.53120(10) 0.0399(4) Uani 1 1 d D U
C4_16 C 0.87689(18) 0.48296(16) 0.46638(17) 0.0391(6) Uani 1 1 d D U
F7_16 F 0.87329(15) 0.45247(12) 0.40080(10) 0.0610(5) Uani 1 1 d D U
F8_16 F 0.94117(12) 0.42124(11) 0.48532(14) 0.0654(6) Uani 1 1 d D U
F9_16 F 0.91155(11) 0.54690(11) 0.44822(12) 0.0561(5) Uani 1 1 d D U
O1_15 O 0.76773(11) 0.74297(9) 0.47325(9) 0.0206(3) Uani 1 1 d D U
C1_15 C 0.77567(15) 0.80883(13) 0.51061(12) 0.0187(4) Uani 1 1 d D U
C2_15 C 0.77952(17) 0.78620(14) 0.59197(14) 0.0267(5) Uani 1 1 d D U
F1_15 F 0.71179(10) 0.75095(9) 0.62979(8) 0.0308(3) Uani 1 1 d D U
F2_15 F 0.76093(11) 0.85566(9) 0.63991(8) 0.0353(3) Uani 1 1 d D U
F3_15 F 0.86943(11) 0.72947(9) 0.58151(9) 0.0362(3) Uani 1 1 d D U
C3_15 C 0.87338(18) 0.82184(16) 0.45643(15) 0.0307(5) Uani 1 1 d D U
F4_15 F 0.86140(12) 0.86053(11) 0.39450(9) 0.0429(4) Uani 1 1 d D U
F5_15 F 0.94831(10) 0.74637(9) 0.42727(9) 0.0366(3) Uani 1 1 d D U
F6_15 F 0.90134(11) 0.86960(10) 0.49503(9) 0.0390(4) Uani 1 1 d D U
C4_15 C 0.68486(18) 0.89334(14) 0.52491(15) 0.0298(5) Uani 1 1 d D U
F7_15 F 0.66032(11) 0.90070(9) 0.46282(9) 0.0375(3) Uani 1 1 d D U
F8_15 F 0.70555(12) 0.96318(9) 0.53666(10) 0.0421(4) Uani 1 1 d D U
F9_15 F 0.60581(10) 0.89326(9) 0.58920(9) 0.0368(3) Uani 1 1 d D U
O1_14 O 0.87931(11) 0.60791(10) 0.22258(9) 0.0255(3) Uani 1 1 d D U
C1_14 C 0.97699(15) 0.59677(14) 0.18595(12) 0.0205(4) Uani 1 1 d D U
C2_14 C 1.0343(2) 0.54470(17) 0.23455(16) 0.0377(6) Uani 1 1 d D U
F1_14 F 1.01502(14) 0.59550(12) 0.29961(9) 0.0515(4) Uani 1 1 d D U
F2_14 F 1.13292(12) 0.51312(13) 0.19271(12) 0.0600(5) Uani 1 1 d D U
F3_14 F 1.00507(14) 0.47874(10) 0.25795(10) 0.0513(4) Uani 1 1 d D U
C3_14 C 1.01969(18) 0.54629(17) 0.10121(14) 0.0345(6) Uani 1 1 d D U
F4_14 F 0.95810(12) 0.57854(11) 0.06533(9) 0.0442(4) Uani 1 1 d D U
F5_14 F 1.03113(11) 0.46317(10) 0.10629(10) 0.0439(4) Uani 1 1 d D U
F6_14 F 1.10811(12) 0.55177(12) 0.05536(9) 0.0522(4) Uani 1 1 d D U
C4_14 C 0.99304(17) 0.68468(16) 0.17809(14) 0.0302(5) Uani 1 1 d D U
F7_14 F 0.97027(13) 0.72066(10) 0.11895(10) 0.0455(4) Uani 1 1 d D U
F8_14 F 1.08740(11) 0.67648(11) 0.16238(10) 0.0452(4) Uani 1 1 d D U
F9_14 F 0.93522(11) 0.73816(9) 0.24516(9) 0.0370(3) Uani 1 1 d D U
O1_13 O 0.57091(10) 0.74592(9) 0.51348(8) 0.0190(3) Uani 1 1 d D U
C1_13 C 0.47538(14) 0.75147(13) 0.55678(12) 0.0167(4) Uani 1 1 d D U
C2_13 C 0.44358(16) 0.69624(14) 0.51146(14) 0.0263(5) Uani 1 1 d D U
F1_13 F 0.42791(12) 0.73401(10) 0.45070(9) 0.0401(4) Uani 1 1 d D U
F2_13 F 0.36026(10) 0.68376(9) 0.55791(10) 0.0380(3) Uani 1 1 d D U
F3_13 F 0.51562(10) 0.61973(8) 0.48125(9) 0.0348(3) Uani 1 1 d D U
C3_13 C 0.46372(16) 0.72001(14) 0.63931(13) 0.0237(4) Uani 1 1 d D U
F4_13 F 0.51681(11) 0.74651(10) 0.66918(8) 0.0358(3) Uani 1 1 d D U
F5_13 F 0.49573(10) 0.63451(8) 0.63329(8) 0.0306(3) Uani 1 1 d D U
F6_13 F 0.36845(10) 0.74974(10) 0.69184(8) 0.0363(3) Uani 1 1 d D U
C4_13 C 0.40699(15) 0.84765(14) 0.56962(13) 0.0237(5) Uani 1 1 d D U
F7_13 F 0.41078(10) 0.89238(9) 0.62742(9) 0.0347(3) Uani 1 1 d D U
F8_13 F 0.31111(9) 0.85666(9) 0.59018(9) 0.0336(3) Uani 1 1 d D U
F9_13 F 0.43490(10) 0.88338(9) 0.50419(9) 0.0351(3) Uani 1 1 d D U
O1_12 O 0.71298(11) 0.77135(9) 0.27573(9) 0.0208(3) Uani 1 1 d D U
C1_12 C 0.66841(15) 0.83639(13) 0.24216(12) 0.0187(4) Uani 1 1 d D U
C2_12 C 0.72138(17) 0.90355(14) 0.23039(14) 0.0269(5) Uani 1 1 d D U
F1_12 F 0.74006(11) 0.91623(9) 0.29322(9) 0.0337(3) Uani 1 1 d D U
F2_12 F 0.66649(12) 0.97969(8) 0.21879(9) 0.0371(3) Uani 1 1 d D U
F3_12 F 0.80844(11) 0.87521(10) 0.16742(10) 0.0427(4) Uani 1 1 d D U
C3_12 C 0.67545(19) 0.80316(15) 0.16036(14) 0.0292(5) Uani 1 1 d D U
F4_12 F 0.60612(11) 0.76836(9) 0.16990(9) 0.0365(3) Uani 1 1 d D U
F5_12 F 0.76447(11) 0.74211(9) 0.12138(8) 0.0360(3) Uani 1 1 d D U
F6_12 F 0.66426(13) 0.86516(10) 0.11432(9) 0.0441(4) Uani 1 1 d D U
C4_12 C 0.55698(17) 0.88091(15) 0.29896(15) 0.0308(5) Uani 1 1 d D U
F7_12 F 0.51593(11) 0.82192(10) 0.32621(10) 0.0422(4) Uani 1 1 d D U
F8_12 F 0.50427(11) 0.93147(10) 0.26166(11) 0.0465(4) Uani 1 1 d D U
F9_12 F 0.54841(11) 0.92849(9) 0.36125(9) 0.0394(4) Uani 1 1 d D U
O1_11 O 0.68168(10) 0.61741(9) 0.25277(8) 0.0177(3) Uani 1 1 d D U
C1_11 C 0.66929(14) 0.54702(12) 0.22744(11) 0.0159(4) Uani 1 1 d D U
C2_11 C 0.69033(16) 0.47426(13) 0.27928(13) 0.0215(4) Uani 1 1 d D U
F1_11 F 0.77251(10) 0.46740(8) 0.29060(8) 0.0293(3) Uani 1 1 d D U
F2_11 F 0.70371(10) 0.39773(8) 0.24575(8) 0.0284(3) Uani 1 1 d D U
F3_11 F 0.61548(10) 0.49164(8) 0.35056(7) 0.0293(3) Uani 1 1 d D U
C3_11 C 0.55921(15) 0.57387(14) 0.23593(12) 0.0208(4) Uani 1 1 d D U
F4_11 F 0.54604(10) 0.61874(9) 0.17775(8) 0.0293(3) Uani 1 1 d D U
F5_11 F 0.49716(9) 0.62336(9) 0.30456(8) 0.0278(3) Uani 1 1 d D U
F6_11 F 0.53231(10) 0.50602(9) 0.23285(8) 0.0297(3) Uani 1 1 d D U
C4_11 C 0.74112(16) 0.51363(13) 0.13842(12) 0.0211(4) Uani 1 1 d D U
F7_11 F 0.74561(10) 0.57872(8) 0.09679(7) 0.0268(3) Uani 1 1 d D U
F8_11 F 0.71218(10) 0.46250(9) 0.10463(8) 0.0315(3) Uani 1 1 d D U
F9_11 F 0.83339(9) 0.46893(8) 0.13212(8) 0.0274(3) Uani 1 1 d D U
Ag1 Ag 0.75670(2) 0.12179(2) 0.80564(2) 0.02731(5) Uani 1 1 d . .
F1 F 0.73223(8) 0.65276(7) 0.37540(6) 0.0174(2) Uani 1 1 d . .
Al1 Al 0.75524(4) 0.66190(4) 0.27405(3) 0.01308(11) Uani 1 1 d . .
C1_1 C 0.7190(2) 0.13639(17) 0.60836(16) 0.0342(6) Uani 1 1 d . .
H03A_1 H 0.6865 0.1182 0.5776 0.041 Uiso 1 1 calc R U
H03B_1 H 0.6726 0.1929 0.6402 0.041 Uiso 1 1 calc R U
Cl1_1 Cl 0.74073(6) 0.06005(4) 0.67358(4) 0.03934(15) Uani 1 1 d . .
Cl2_1 Cl 0.82913(7) 0.14781(6) 0.54221(5) 0.0600(2) Uani 1 1 d . .
Cl1_2 Cl 0.89295(4) 0.18574(4) 0.72436(4) 0.03215(13) Uani 1 1 d . .
C1_2 C 0.82745(18) 0.28613(15) 0.70124(16) 0.0316(5) Uani 1 1 d . .
H03O_2 H 0.8463 0.3320 0.7180 0.038 Uiso 1 1 calc R U
H03P_2 H 0.8466 0.2828 0.6429 0.038 Uiso 1 1 calc R U
Cl2_2 Cl 0.69833(5) 0.31202(4) 0.74951(4) 0.04079(15) Uani 1 1 d . .
C1_3 C 0.96613(19) -0.18163(16) 0.90445(14) 0.0328(6) Uani 1 1 d . .
Si1_3 Si 0.97563(4) -0.12455(3) 0.81150(3) 0.01574(11) Uani 1 1 d . .
C2_3 C 1.04641(16) -0.04621(14) 0.79657(14) 0.0230(4) Uani 1 1 d . .
Br2_3 Br 0.81022(2) -0.03849(2) 0.84380(2) 0.02368(5) Uani 1 1 d . .
C3_3 C 1.00960(16) -0.19690(14) 0.71673(13) 0.0228(4) Uani 1 1 d . .
C4_3 C 0.9523(2) -0.1213(2) 0.97445(15) 0.0494(8) Uani 1 1 d . .
H03W_3 H 1.0105 -0.1038 0.9601 0.074 Uiso 1 1 calc R U
H03X_3 H 0.9455 -0.1515 1.0214 0.074 Uiso 1 1 calc R U
H03Y_3 H 0.8920 -0.0702 0.9865 0.074 Uiso 1 1 calc R U
C5_3 C 0.8773(2) -0.21382(19) 0.93330(18) 0.0498(8) Uani 1 1 d . .
H03Q_3 H 0.8817 -0.2503 0.8893 0.075 Uiso 1 1 calc R U
H03R_3 H 0.8144 -0.1643 0.9515 0.075 Uiso 1 1 calc R U
H03S_3 H 0.8795 -0.2472 0.9774 0.075 Uiso 1 1 calc R U
C6_3 C 1.0626(2) -0.26027(18) 0.88547(16) 0.0431(7) Uani 1 1 d . .
H03F_3 H 1.0689 -0.3023 0.8447 0.065 Uiso 1 1 calc R U
H03G_3 H 1.0599 -0.2868 0.9339 0.065 Uiso 1 1 calc R U
H03H_3 H 1.1204 -0.2418 0.8657 0.065 Uiso 1 1 calc R U
C7_3 C 0.95919(19) -0.26489(16) 0.73556(17) 0.0378(6) Uani 1 1 d . .
H02Y_3 H 0.9740 -0.2985 0.6858 0.057 Uiso 1 1 calc R U
H02Z_3 H 0.8867 -0.2360 0.7634 0.057 Uiso 1 1 calc R U
H010_3 H 0.9848 -0.3034 0.7695 0.057 Uiso 1 1 calc R U
C8_3 C 0.97620(19) -0.14636(17) 0.65518(14) 0.0331(6) Uani 1 1 d . .
H02J_3 H 1.0085 -0.1036 0.6399 0.050 Uiso 1 1 calc R U
H8_3 H 0.9035 -0.1170 0.6786 0.050 Uiso 1 1 calc R U
H02L_3 H 0.9953 -0.1863 0.6079 0.050 Uiso 1 1 calc R U
C9_3 C 1.12365(17) -0.24476(15) 0.67738(14) 0.0279(5) Uani 1 1 d . .
H03T_3 H 1.1400 -0.2851 0.6312 0.042 Uiso 1 1 calc R U
H03U_3 H 1.1464 -0.2766 0.7160 0.042 Uiso 1 1 calc R U
H03V_3 H 1.1570 -0.2030 0.6599 0.042 Uiso 1 1 calc R U
C10_3 C 1.14859(17) -0.09259(17) 0.80123(17) 0.0343(6) Uani 1 1 d . .
H02P_3 H 1.1848 -0.1457 0.7634 0.051 Uiso 1 1 calc R U
H02Q_3 H 1.1380 -0.1067 0.8554 0.051 Uiso 1 1 calc R U
H02R_3 H 1.1878 -0.0548 0.7879 0.051 Uiso 1 1 calc R U
C11_3 C 1.06638(17) -0.01479(15) 0.71471(15) 0.0303(5) Uani 1 1 d . .
H02A_3 H 1.1117 -0.0635 0.6728 0.045 Uiso 1 1 calc R U
H02B_3 H 1.0970 0.0289 0.7109 0.045 Uiso 1 1 calc R U
H02C_3 H 1.0032 0.0103 0.7082 0.045 Uiso 1 1 calc R U
C12_3 C 0.98958(18) 0.03491(15) 0.85907(16) 0.0330(6) Uani 1 1 d . .
H02D_3 H 1.0307 0.0709 0.8501 0.049 Uiso 1 1 calc R U
H02E_3 H 0.9752 0.0179 0.9126 0.049 Uiso 1 1 calc R U
H02F_3 H 0.9268 0.0676 0.8542 0.049 Uiso 1 1 calc R U
C1_4 C 0.65404(17) 0.23877(16) 1.03844(13) 0.0275(5) Uani 1 1 d D .
Si1_4 Si 0.53295(4) 0.22971(4) 1.03937(3) 0.01767(11) Uani 1 1 d D .
Br1_4 Br 0.56689(2) 0.18760(2) 0.90794(2) 0.02734(6) Uani 1 1 d . .
C2_4 C 0.42443(19) 0.33736(15) 1.06332(14) 0.0338(6) Uani 1 1 d D .
C3_4 C 0.49758(17) 0.13875(14) 1.09373(13) 0.0252(5) Uani 1 1 d D .
C4_4 C 0.73221(18) 0.14970(19) 1.03099(16) 0.0394(6) Uani 1 1 d D .
H02G_4 H 0.7446 0.1138 0.9833 0.059 Uiso 1 1 calc R U
H02H_4 H 0.7073 0.1223 1.0782 0.059 Uiso 1 1 calc R U
H02I_4 H 0.7946 0.1562 1.0267 0.059 Uiso 1 1 calc R U
Al2_4 Al 0.69457(4) 0.68393(4) 0.47819(3) 0.01240(11) Uani 1 1 d . .
C5_4 C 0.7035(2) 0.2839(2) 0.96923(16) 0.0489(8) Uani 1 1 d D .
H03C_4 H 0.7268 0.2482 0.9184 0.073 Uiso 1 1 calc R U
H03D_4 H 0.7605 0.2922 0.9752 0.073 Uiso 1 1 calc R U
H03E_4 H 0.6548 0.3400 0.9702 0.073 Uiso 1 1 calc R U
C6_4 C 0.6313(2) 0.29102(18) 1.11697(15) 0.0358(6) Uani 1 1 d D .
H03Z_4 H 0.6940 0.2904 1.1188 0.054 Uiso 1 1 calc R U
H014_4 H 0.5971 0.2653 1.1622 0.054 Uiso 1 1 calc R U
H015_4 H 0.5883 0.3506 1.1198 0.054 Uiso 1 1 calc R U
C7_4 C 0.5714(2) 0.04886(16) 1.04961(17) 0.0388(6) Uani 1 1 d D .
H02V_4 H 0.5742 0.0433 0.9954 0.058 Uiso 1 1 calc R U
H02W_4 H 0.5490 0.0046 1.0782 0.058 Uiso 1 1 calc R U
H02X_4 H 0.6380 0.0415 1.0472 0.058 Uiso 1 1 calc R U
C8_4 C 0.3940(2) 0.1421(2) 1.10133(17) 0.0416(6) Uani 1 1 d D .
H02S_4 H 0.3925 0.1404 1.0483 0.062 Uiso 1 1 calc R U
H02T_4 H 0.3429 0.1955 1.1346 0.062 Uiso 1 1 calc R U
H02U_4 H 0.3805 0.0925 1.1259 0.062 Uiso 1 1 calc R U
C9_4 C 0.4953(2) 0.14622(17) 1.17856(14) 0.0335(6) Uani 1 1 d D .
H02M_4 H 0.5624 0.1383 1.1752 0.050 Uiso 1 1 calc R U
H02N_4 H 0.4730 0.1018 1.2070 0.050 Uiso 1 1 calc R U
H02O_4 H 0.4490 0.2033 1.2073 0.050 Uiso 1 1 calc R U
C10_4 C 0.3727(2) 0.36381(18) 1.15456(15) 0.0451(7) Uani 1 1 d D .
H03L_4 H 0.3207 0.4211 1.1669 0.068 Uiso 1 1 calc R U
H03M_4 H 0.4222 0.3652 1.1752 0.068 Uiso 1 1 calc R U
H03N_4 H 0.3425 0.3219 1.1795 0.068 Uiso 1 1 calc R U
C11_4 C 0.4609(3) 0.40902(18) 1.02509(19) 0.0557(9) Uani 1 1 d D .
H03I_4 H 0.4981 0.3915 0.9675 0.084 Uiso 1 1 calc R U
H03J_4 H 0.5045 0.4193 1.0483 0.084 Uiso 1 1 calc R U
H03K_4 H 0.4033 0.4620 1.0350 0.084 Uiso 1 1 calc R U
C12_4 C 0.3457(2) 0.3330(2) 1.03242(17) 0.0475(8) Uani 1 1 d D .
H011_4 H 0.2916 0.3892 1.0464 0.071 Uiso 1 1 calc R U
H012_4 H 0.3185 0.2893 1.0569 0.071 Uiso 1 1 calc R U
H013_4 H 0.3771 0.3177 0.9744 0.071 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 0.0033 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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C1_16 O1_16 Al2_4 155.62(14)
O1_16 C1_16 C2_16 108.88(17)
O1_16 C1_16 C4_16 110.32(17)
C2_16 C1_16 C4_16 110.2(2)
O1_16 C1_16 C3_16 108.64(17)
C2_16 C1_16 C3_16 109.56(18)
C4_16 C1_16 C3_16 109.23(18)
F3_16 C2_16 F1_16 107.9(2)
F3_16 C2_16 F2_16 108.1(2)
F1_16 C2_16 F2_16 107.2(2)
F3_16 C2_16 C1_16 111.2(2)
F1_16 C2_16 C1_16 110.6(2)
F2_16 C2_16 C1_16 111.71(19)
F4_16 C3_16 F5_16 107.8(2)
F4_16 C3_16 F6_16 108.14(19)
F5_16 C3_16 F6_16 106.93(19)
F4_16 C3_16 C1_16 110.45(18)
F5_16 C3_16 C1_16 110.92(19)
F6_16 C3_16 C1_16 112.41(18)
F8_16 C4_16 F9_16 108.3(2)
F8_16 C4_16 F7_16 108.3(2)
F9_16 C4_16 F7_16 107.3(2)
F8_16 C4_16 C1_16 112.7(2)
F9_16 C4_16 C1_16 110.2(2)
F7_16 C4_16 C1_16 110.0(2)
C1_15 O1_15 Al2_4 144.91(14)
O1_15 C1_15 C3_15 107.78(17)
O1_15 C1_15 C2_15 109.89(17)
C3_15 C1_15 C2_15 109.87(17)
O1_15 C1_15 C4_15 110.66(17)
C3_15 C1_15 C4_15 109.61(18)
C2_15 C1_15 C4_15 109.02(18)
F1_15 C2_15 F3_15 107.83(18)
F1_15 C2_15 F2_15 107.49(19)
F3_15 C2_15 F2_15 108.13(18)
F1_15 C2_15 C1_15 110.48(17)
F3_15 C2_15 C1_15 110.56(18)
F2_15 C2_15 C1_15 112.20(18)
F5_15 C3_15 F6_15 107.42(19)
F5_15 C3_15 F4_15 107.6(2)
F6_15 C3_15 F4_15 108.41(19)
F5_15 C3_15 C1_15 110.80(18)
F6_15 C3_15 C1_15 112.56(19)
F4_15 C3_15 C1_15 109.86(19)
F7_15 C4_15 F9_15 108.58(19)
F7_15 C4_15 F8_15 107.68(19)
F9_15 C4_15 F8_15 108.12(19)
F7_15 C4_15 C1_15 110.68(19)
F9_15 C4_15 C1_15 110.22(19)
F8_15 C4_15 C1_15 111.45(18)
C1_14 O1_14 Al1 157.37(15)
O1_14 C1_14 C2_14 109.66(18)
O1_14 C1_14 C3_14 108.97(18)
C2_14 C1_14 C3_14 109.35(19)
O1_14 C1_14 C4_14 111.45(17)
C2_14 C1_14 C4_14 108.44(19)
C3_14 C1_14 C4_14 108.94(18)
F3_14 C2_14 F2_14 107.7(2)
F3_14 C2_14 F1_14 108.3(2)
F2_14 C2_14 F1_14 108.4(2)
F3_14 C2_14 C1_14 110.3(2)
F2_14 C2_14 C1_14 112.5(2)
F1_14 C2_14 C1_14 109.6(2)
F4_14 C3_14 F5_14 108.7(2)
F4_14 C3_14 F6_14 107.4(2)
F5_14 C3_14 F6_14 109.0(2)
F4_14 C3_14 C1_14 110.33(19)
F5_14 C3_14 C1_14 110.1(2)
F6_14 C3_14 C1_14 111.3(2)
F9_14 C4_14 F8_14 107.62(19)
F9_14 C4_14 F7_14 108.5(2)
F8_14 C4_14 F7_14 107.55(19)
F9_14 C4_14 C1_14 110.31(18)
F8_14 C4_14 C1_14 112.44(19)
F7_14 C4_14 C1_14 110.26(19)
C1_13 O1_13 Al2_4 147.04(13)
O1_13 C1_13 C2_13 110.39(16)
O1_13 C1_13 C4_13 107.65(16)
C2_13 C1_13 C4_13 109.50(17)
O1_13 C1_13 C3_13 111.18(16)
C2_13 C1_13 C3_13 108.77(17)
C4_13 C1_13 C3_13 109.32(16)
F3_13 C2_13 F2_13 108.26(19)
F3_13 C2_13 F1_13 107.30(19)
F2_13 C2_13 F1_13 107.82(18)
F3_13 C2_13 C1_13 110.21(17)
F2_13 C2_13 C1_13 112.52(18)
F1_13 C2_13 C1_13 110.55(18)
F4_13 C3_13 F5_13 107.65(18)
F4_13 C3_13 F6_13 108.07(18)
F5_13 C3_13 F6_13 107.31(17)
F4_13 C3_13 C1_13 110.22(17)
F5_13 C3_13 C1_13 111.46(17)
F6_13 C3_13 C1_13 111.95(17)
F9_13 C4_13 F7_13 107.85(18)
F9_13 C4_13 F8_13 107.78(18)
F7_13 C4_13 F8_13 107.13(17)
F9_13 C4_13 C1_13 110.95(17)
F7_13 C4_13 C1_13 111.01(17)
F8_13 C4_13 C1_13 111.92(17)
C1_12 O1_12 Al1 144.16(14)
O1_12 C1_12 C4_12 109.33(17)
O1_12 C1_12 C3_12 111.44(17)
C4_12 C1_12 C3_12 109.46(18)
O1_12 C1_12 C2_12 108.45(17)
C4_12 C1_12 C2_12 108.77(17)
C3_12 C1_12 C2_12 109.35(17)
F1_12 C2_12 F3_12 107.57(19)
F1_12 C2_12 F2_12 107.87(18)
F3_12 C2_12 F2_12 107.81(18)
F1_12 C2_12 C1_12 110.85(17)
F3_12 C2_12 C1_12 110.30(18)
F2_12 C2_12 C1_12 112.26(18)
F5_12 C3_12 F6_12 107.82(19)
F5_12 C3_12 F4_12 107.53(19)
F6_12 C3_12 F4_12 108.16(19)
F5_12 C3_12 C1_12 109.62(18)
F6_12 C3_12 C1_12 112.63(18)
F4_12 C3_12 C1_12 110.90(18)
F9_12 C4_12 F7_12 108.1(2)
F9_12 C4_12 F8_12 108.71(19)
F7_12 C4_12 F8_12 107.5(2)
F9_12 C4_12 C1_12 110.66(19)
F7_12 C4_12 C1_12 110.17(18)
F8_12 C4_12 C1_12 111.56(19)
C1_11 O1_11 Al1 149.37(13)
O1_11 C1_11 C2_11 110.24(16)
O1_11 C1_11 C3_11 107.99(16)
C2_11 C1_11 C3_11 109.39(16)
O1_11 C1_11 C4_11 110.32(16)
C2_11 C1_11 C4_11 109.49(16)
C3_11 C1_11 C4_11 109.39(16)
F3_11 C2_11 F1_11 107.52(17)
F3_11 C2_11 F2_11 107.79(17)
F1_11 C2_11 F2_11 107.92(17)
F3_11 C2_11 C1_11 111.04(17)
F1_11 C2_11 C1_11 109.84(16)
F2_11 C2_11 C1_11 112.56(17)
F5_11 C3_11 F6_11 107.86(17)
F5_11 C3_11 F4_11 107.51(17)
F6_11 C3_11 F4_11 107.67(17)
F5_11 C3_11 C1_11 110.68(16)
F6_11 C3_11 C1_11 112.25(17)
F4_11 C3_11 C1_11 110.68(16)
F7_11 C4_11 F9_11 107.50(17)
F7_11 C4_11 F8_11 108.08(17)
F9_11 C4_11 F8_11 107.73(17)
F7_11 C4_11 C1_11 110.73(17)
F9_11 C4_11 C1_11 110.58(17)
F8_11 C4_11 C1_11 112.04(17)
Cl1_2 Ag1 Br1_4 135.097(17)
Cl1_2 Ag1 Br2_3 120.450(16)
Br1_4 Ag1 Br2_3 100.977(11)
Cl1_2 Ag1 Cl1_1 94.96(2)
Br1_4 Ag1 Cl1_1 102.058(19)
Br2_3 Ag1 Cl1_1 89.969(17)
Al1 F1 Al2_4 159.51(8)
O1_14 Al1 O1_11 113.63(8)
O1_14 Al1 O1_12 116.99(8)
O1_11 Al1 O1_12 111.42(7)
O1_14 Al1 F1 105.94(7)
O1_11 Al1 F1 105.79(7)
O1_12 Al1 F1 101.50(7)
Cl2_1 C1_1 Cl1_1 112.35(14)
Cl2_1 C1_1 H03A_1 109.1
Cl1_1 C1_1 H03A_1 109.1
Cl2_1 C1_1 H03B_1 109.1
Cl1_1 C1_1 H03B_1 109.1
H03A_1 C1_1 H03B_1 107.9
C1_1 Cl1_1 Ag1 115.17(9)
C1_2 Cl1_2 Ag1 105.95(8)
Cl2_2 C1_2 Cl1_2 110.81(13)
Cl2_2 C1_2 H03O_2 109.5
Cl1_2 C1_2 H03O_2 109.5
Cl2_2 C1_2 H03P_2 109.5
Cl1_2 C1_2 H03P_2 109.5
H03O_2 C1_2 H03P_2 108.1
C4_3 C1_3 C6_3 108.4(2)
C4_3 C1_3 C5_3 107.1(2)
C6_3 C1_3 C5_3 107.9(2)
C4_3 C1_3 Si1_3 111.32(18)
C6_3 C1_3 Si1_3 109.46(16)
C5_3 C1_3 Si1_3 112.58(19)
C3_3 Si1_3 C2_3 114.42(10)
C3_3 Si1_3 C1_3 115.18(11)
C2_3 Si1_3 C1_3 114.46(11)
C3_3 Si1_3 Br2_3 103.61(7)
C2_3 Si1_3 Br2_3 105.36(7)
C1_3 Si1_3 Br2_3 101.67(8)
C11_3 C2_3 C12_3 106.59(19)
C11_3 C2_3 C10_3 107.72(19)
C12_3 C2_3 C10_3 108.26(19)
C11_3 C2_3 Si1_3 111.50(15)
C12_3 C2_3 Si1_3 113.18(16)
C10_3 C2_3 Si1_3 109.38(16)
Si1_3 Br2_3 Ag1 122.534(17)
C8_3 C3_3 C9_3 108.34(19)
C8_3 C3_3 C7_3 106.6(2)
C9_3 C3_3 C7_3 108.04(19)
C8_3 C3_3 Si1_3 112.76(15)
C9_3 C3_3 Si1_3 109.90(15)
C7_3 C3_3 Si1_3 111.06(16)
C1_3 C4_3 H03W_3 109.5
C1_3 C4_3 H03X_3 109.5
H03W_3 C4_3 H03X_3 109.5
C1_3 C4_3 H03Y_3 109.5
H03W_3 C4_3 H03Y_3 109.5
H03X_3 C4_3 H03Y_3 109.5
C1_3 C5_3 H03Q_3 109.5
C1_3 C5_3 H03R_3 109.5
H03Q_3 C5_3 H03R_3 109.5
C1_3 C5_3 H03S_3 109.5
H03Q_3 C5_3 H03S_3 109.5
H03R_3 C5_3 H03S_3 109.5
C1_3 C6_3 H03F_3 109.5
C1_3 C6_3 H03G_3 109.5
H03F_3 C6_3 H03G_3 109.5
C1_3 C6_3 H03H_3 109.5
H03F_3 C6_3 H03H_3 109.5
H03G_3 C6_3 H03H_3 109.5
C3_3 C7_3 H02Y_3 109.5
C3_3 C7_3 H02Z_3 109.5
H02Y_3 C7_3 H02Z_3 109.5
C3_3 C7_3 H010_3 109.5
H02Y_3 C7_3 H010_3 109.5
H02Z_3 C7_3 H010_3 109.5
C3_3 C8_3 H02J_3 109.5
C3_3 C8_3 H8_3 109.5
H02J_3 C8_3 H8_3 109.5
C3_3 C8_3 H02L_3 109.5
H02J_3 C8_3 H02L_3 109.5
H8_3 C8_3 H02L_3 109.5
C3_3 C9_3 H03T_3 109.5
C3_3 C9_3 H03U_3 109.5
H03T_3 C9_3 H03U_3 109.5
C3_3 C9_3 H03V_3 109.5
H03T_3 C9_3 H03V_3 109.5
H03U_3 C9_3 H03V_3 109.5
C2_3 C10_3 H02P_3 109.5
C2_3 C10_3 H02Q_3 109.5
H02P_3 C10_3 H02Q_3 109.5
C2_3 C10_3 H02R_3 109.5
H02P_3 C10_3 H02R_3 109.5
H02Q_3 C10_3 H02R_3 109.5
C2_3 C11_3 H02A_3 109.5
C2_3 C11_3 H02B_3 109.5
H02A_3 C11_3 H02B_3 109.5
C2_3 C11_3 H02C_3 109.5
H02A_3 C11_3 H02C_3 109.5
H02B_3 C11_3 H02C_3 109.5
C2_3 C12_3 H02D_3 109.5
C2_3 C12_3 H02E_3 109.5
H02D_3 C12_3 H02E_3 109.5
C2_3 C12_3 H02F_3 109.5
H02D_3 C12_3 H02F_3 109.5
H02E_3 C12_3 H02F_3 109.5
C4_4 C1_4 C6_4 107.9(2)
C4_4 C1_4 C5_4 106.9(2)
C6_4 C1_4 C5_4 107.6(2)
C4_4 C1_4 Si1_4 111.42(16)
C6_4 C1_4 Si1_4 109.60(16)
C5_4 C1_4 Si1_4 113.23(18)
C2_4 Si1_4 C3_4 114.81(11)
C2_4 Si1_4 C1_4 114.56(11)
C3_4 Si1_4 C1_4 114.49(10)
C2_4 Si1_4 Br1_4 101.79(7)
C3_4 Si1_4 Br1_4 103.47(7)
C1_4 Si1_4 Br1_4 105.67(7)
Si1_4 Br1_4 Ag1 118.292(17)
C11_4 C2_4 C10_4 108.4(2)
C11_4 C2_4 C12_4 106.6(2)
C10_4 C2_4 C12_4 108.6(2)
C11_4 C2_4 Si1_4 111.5(2)
C10_4 C2_4 Si1_4 109.19(16)
C12_4 C2_4 Si1_4 112.46(18)
C8_4 C3_4 C7_4 106.2(2)
C8_4 C3_4 C9_4 107.9(2)
C7_4 C3_4 C9_4 108.5(2)
C8_4 C3_4 Si1_4 111.77(17)
C7_4 C3_4 Si1_4 112.27(17)
C9_4 C3_4 Si1_4 110.04(15)
C1_4 C4_4 H02G_4 109.5
C1_4 C4_4 H02H_4 109.5
H02G_4 C4_4 H02H_4 109.5
C1_4 C4_4 H02I_4 109.5
H02G_4 C4_4 H02I_4 109.5
H02H_4 C4_4 H02I_4 109.5
O1_16 Al2_4 O1_13 112.02(7)
O1_16 Al2_4 O1_15 117.75(8)
O1_13 Al2_4 O1_15 112.32(8)
O1_16 Al2_4 F1 106.87(7)
O1_13 Al2_4 F1 106.33(7)
O1_15 Al2_4 F1 100.03(7)
C1_4 C5_4 H03C_4 109.5
C1_4 C5_4 H03D_4 109.5
H03C_4 C5_4 H03D_4 109.5
C1_4 C5_4 H03E_4 109.5
H03C_4 C5_4 H03E_4 109.5
H03D_4 C5_4 H03E_4 109.5
C1_4 C6_4 H03Z_4 109.5
C1_4 C6_4 H014_4 109.5
H03Z_4 C6_4 H014_4 109.5
C1_4 C6_4 H015_4 109.5
H03Z_4 C6_4 H015_4 109.5
H014_4 C6_4 H015_4 109.5
C3_4 C7_4 H02V_4 109.5
C3_4 C7_4 H02W_4 109.5
H02V_4 C7_4 H02W_4 109.5
C3_4 C7_4 H02X_4 109.5
H02V_4 C7_4 H02X_4 109.5
H02W_4 C7_4 H02X_4 109.5
C3_4 C8_4 H02S_4 109.5
C3_4 C8_4 H02T_4 109.5
H02S_4 C8_4 H02T_4 109.5
C3_4 C8_4 H02U_4 109.5
H02S_4 C8_4 H02U_4 109.5
H02T_4 C8_4 H02U_4 109.5
C3_4 C9_4 H02M_4 109.5
C3_4 C9_4 H02N_4 109.5
H02M_4 C9_4 H02N_4 109.5
C3_4 C9_4 H02O_4 109.5
H02M_4 C9_4 H02O_4 109.5
H02N_4 C9_4 H02O_4 109.5
C2_4 C10_4 H03L_4 109.5
C2_4 C10_4 H03M_4 109.5
H03L_4 C10_4 H03M_4 109.5
C2_4 C10_4 H03N_4 109.5
H03L_4 C10_4 H03N_4 109.5
H03M_4 C10_4 H03N_4 109.5
C2_4 C11_4 H03I_4 109.5
C2_4 C11_4 H03J_4 109.5
H03I_4 C11_4 H03J_4 109.5
C2_4 C11_4 H03K_4 109.5
H03I_4 C11_4 H03K_4 109.5
H03J_4 C11_4 H03K_4 109.5
C2_4 C12_4 H011_4 109.5
C2_4 C12_4 H012_4 109.5
H011_4 C12_4 H012_4 109.5
C2_4 C12_4 H013_4 109.5
H011_4 C12_4 H013_4 109.5
H012_4 C12_4 H013_4 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O1_16 C1_16 1.352(2)
O1_16 Al2_4 1.6914(15)
C1_16 C2_16 1.547(3)
C1_16 C4_16 1.548(3)
C1_16 C3_16 1.550(3)
C2_16 F3_16 1.304(3)
C2_16 F1_16 1.339(3)
C2_16 F2_16 1.342(3)
C3_16 F4_16 1.314(3)
C3_16 F5_16 1.328(3)
C3_16 F6_16 1.334(3)
C4_16 F8_16 1.318(3)
C4_16 F9_16 1.329(3)
C4_16 F7_16 1.334(3)
O1_15 C1_15 1.359(2)
O1_15 Al2_4 1.7068(15)
C1_15 C3_15 1.547(3)
C1_15 C2_15 1.550(3)
C1_15 C4_15 1.558(3)
C2_15 F1_15 1.332(3)
C2_15 F3_15 1.337(3)
C2_15 F2_15 1.338(3)
C3_15 F5_15 1.333(3)
C3_15 F6_15 1.336(3)
C3_15 F4_15 1.341(3)
C4_15 F7_15 1.320(3)
C4_15 F9_15 1.338(3)
C4_15 F8_15 1.341(3)
O1_14 C1_14 1.348(2)
O1_14 Al1 1.6958(15)
C1_14 C2_14 1.549(3)
C1_14 C3_14 1.556(3)
C1_14 C4_14 1.558(3)
C2_14 F3_14 1.328(3)
C2_14 F2_14 1.334(3)
C2_14 F1_14 1.341(3)
C3_14 F4_14 1.325(3)
C3_14 F5_14 1.339(3)
C3_14 F6_14 1.340(3)
C4_14 F9_14 1.324(3)
C4_14 F8_14 1.336(3)
C4_14 F7_14 1.338(3)
O1_13 C1_13 1.358(2)
O1_13 Al2_4 1.7037(15)
C1_13 C2_13 1.548(3)
C1_13 C4_13 1.556(3)
C1_13 C3_13 1.558(3)
C2_13 F3_13 1.329(3)
C2_13 F2_13 1.331(3)
C2_13 F1_13 1.334(3)
C3_13 F4_13 1.324(3)
C3_13 F5_13 1.330(3)
C3_13 F6_13 1.338(2)
C4_13 F9_13 1.319(3)
C4_13 F7_13 1.328(3)
C4_13 F8_13 1.340(2)
O1_12 C1_12 1.354(2)
O1_12 Al1 1.7113(15)
C1_12 C4_12 1.552(3)
C1_12 C3_12 1.552(3)
C1_12 C2_12 1.560(3)
C2_12 F1_12 1.321(3)
C2_12 F3_12 1.332(3)
C2_12 F2_12 1.335(3)
C3_12 F5_12 1.332(3)
C3_12 F6_12 1.333(3)
C3_12 F4_12 1.336(3)
C4_12 F9_12 1.332(3)
C4_12 F7_12 1.334(3)
C4_12 F8_12 1.338(3)
O1_11 C1_11 1.359(2)
O1_11 Al1 1.7018(14)
C1_11 C2_11 1.555(3)
C1_11 C3_11 1.556(3)
C1_11 C4_11 1.559(3)
C2_11 F3_11 1.329(2)
C2_11 F1_11 1.333(2)
C2_11 F2_11 1.334(2)
C3_11 F5_11 1.324(2)
C3_11 F6_11 1.334(2)
C3_11 F4_11 1.334(2)
C4_11 F7_11 1.323(2)
C4_11 F9_11 1.332(2)
C4_11 F8_11 1.333(2)
Ag1 Cl1_2 2.6223(6)
Ag1 Br1_4 2.6568(4)
Ag1 Br2_3 2.6833(4)
Ag1 Cl1_1 2.7601(7)
F1 Al1 1.7660(12)
F1 Al2_4 1.7695(12)
C1_1 Cl2_1 1.748(3)
C1_1 Cl1_1 1.772(2)
C1_1 H03A_1 0.9900
C1_1 H03B_1 0.9900
Cl1_2 C1_2 1.782(2)
C1_2 Cl2_2 1.748(2)
C1_2 H03O_2 0.9900
C1_2 H03P_2 0.9900
C1_3 C4_3 1.537(4)
C1_3 C6_3 1.540(3)
C1_3 C5_3 1.546(4)
C1_3 Si1_3 1.920(2)
Si1_3 C3_3 1.912(2)
Si1_3 C2_3 1.920(2)
Si1_3 Br2_3 2.3188(6)
C2_3 C11_3 1.534(3)
C2_3 C12_3 1.541(3)
C2_3 C10_3 1.546(3)
C3_3 C8_3 1.541(3)
C3_3 C9_3 1.542(3)
C3_3 C7_3 1.543(3)
C4_3 H03W_3 0.9800
C4_3 H03X_3 0.9800
C4_3 H03Y_3 0.9800
C5_3 H03Q_3 0.9800
C5_3 H03R_3 0.9800
C5_3 H03S_3 0.9800
C6_3 H03F_3 0.9800
C6_3 H03G_3 0.9800
C6_3 H03H_3 0.9800
C7_3 H02Y_3 0.9800
C7_3 H02Z_3 0.9800
C7_3 H010_3 0.9800
C8_3 H02J_3 0.9800
C8_3 H8_3 0.9800
C8_3 H02L_3 0.9800
C9_3 H03T_3 0.9800
C9_3 H03U_3 0.9800
C9_3 H03V_3 0.9800
C10_3 H02P_3 0.9800
C10_3 H02Q_3 0.9800
C10_3 H02R_3 0.9800
C11_3 H02A_3 0.9800
C11_3 H02B_3 0.9800
C11_3 H02C_3 0.9800
C12_3 H02D_3 0.9800
C12_3 H02E_3 0.9800
C12_3 H02F_3 0.9800
C1_4 C4_4 1.535(4)
C1_4 C6_4 1.542(3)
C1_4 C5_4 1.544(3)
C1_4 Si1_4 1.923(2)
Si1_4 C2_4 1.915(2)
Si1_4 C3_4 1.920(2)
Si1_4 Br1_4 2.3186(6)
C2_4 C11_4 1.536(4)
C2_4 C10_4 1.545(3)
C2_4 C12_4 1.546(4)
C3_4 C8_4 1.538(3)
C3_4 C7_4 1.541(3)
C3_4 C9_4 1.544(3)
C4_4 H02G_4 0.9800
C4_4 H02H_4 0.9800
C4_4 H02I_4 0.9800
C5_4 H03C_4 0.9800
C5_4 H03D_4 0.9800
C5_4 H03E_4 0.9800
C6_4 H03Z_4 0.9800
C6_4 H014_4 0.9800
C6_4 H015_4 0.9800
C7_4 H02V_4 0.9800
C7_4 H02W_4 0.9800
C7_4 H02X_4 0.9800
C8_4 H02S_4 0.9800
C8_4 H02T_4 0.9800
C8_4 H02U_4 0.9800
C9_4 H02M_4 0.9800
C9_4 H02N_4 0.9800
C9_4 H02O_4 0.9800
C10_4 H03L_4 0.9800
C10_4 H03M_4 0.9800
C10_4 H03N_4 0.9800
C11_4 H03I_4 0.9800
C11_4 H03J_4 0.9800
C11_4 H03K_4 0.9800
C12_4 H011_4 0.9800
C12_4 H012_4 0.9800
C12_4 H013_4 0.9800
