# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_C2c_a
_database_code_depnum_ccdc_archive 'CCDC 1845808'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 Al2 Cl6 F56 Li2 N2 O6'
_chemical_formula_sum            'C28 Al2 Cl6 F56 Li2 N2 O6'
_chemical_formula_weight         1804.84

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.4136(13)
_cell_length_b                   11.7318(5)
_cell_length_c                   20.6258(15)
_cell_angle_alpha                90
_cell_angle_beta                 129.575(9)
_cell_angle_gamma                90
_cell_volume                     5672.6(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    373(2)
_cell_measurement_reflns_used    49760
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.113
_exptl_crystal_F_000             3472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.562
_shelx_estimated_absorpt_T_min   0.896
_shelx_estimated_absorpt_T_max   0.896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_process_details   'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed Tube'
_diffrn_measurement_device_type  'Rigaku RAXIS conversion'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79101
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_av_R_equivalents  0.0677
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.132
_diffrn_reflns_theta_max         27.480
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6479
_reflns_number_gt                4795
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1022P)²+15.9803P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6479
_refine_ls_number_parameters     587
_refine_ls_number_restraints     2844
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0651
_refine_ls_wR_factor_ref         0.1964
_refine_ls_wR_factor_gt          0.1807
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      0.990
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
O1_4 O 0.3680(18) 0.606(3) 0.738(3) 0.046(9) Uani 0.127(5) 1 d D U P A 2
C1_4 C 0.3539(9) 0.714(3) 0.7462(13) 0.039(5) Uani 0.127(5) 1 d D U P A 2
C2_4 C 0.3181(8) 0.7755(16) 0.6599(12) 0.044(5) Uani 0.127(5) 1 d D U P A 2
F1_4 F 0.3395(18) 0.755(4) 0.622(3) 0.044(7) Uani 0.127(5) 1 d D U P A 2
F2_4 F 0.3187(11) 0.8877(15) 0.6697(15) 0.056(5) Uani 0.127(5) 1 d D U P A 2
F3_4 F 0.2642(8) 0.740(2) 0.6094(15) 0.047(5) Uani 0.127(5) 1 d D U P A 2
C3_4 C 0.3198(10) 0.705(2) 0.7780(14) 0.051(5) Uani 0.127(5) 1 d D U P A 2
F4_4 F 0.3544(10) 0.681(2) 0.8586(14) 0.054(5) Uani 0.127(5) 1 d D U P A 2
F5_4 F 0.2820(18) 0.621(3) 0.738(3) 0.045(8) Uani 0.127(5) 1 d D U P A 2
F6_4 F 0.2916(18) 0.799(3) 0.767(3) 0.048(7) Uani 0.127(5) 1 d D U P A 2
C4_4 C 0.4104(8) 0.7794(17) 0.8097(12) 0.043(5) Uani 0.127(5) 1 d D U P A 2
F7_4 F 0.4521(13) 0.725(2) 0.8795(18) 0.050(7) Uani 0.127(5) 1 d D U P A 2
F8_4 F 0.4031(9) 0.8740(18) 0.8377(14) 0.049(5) Uani 0.127(5) 1 d D U P A 2
F9_4 F 0.4322(14) 0.812(3) 0.7735(19) 0.043(6) Uani 0.127(5) 1 d D U P A 2
O1_3 O 0.39856(10) 0.3710(2) 0.75557(14) 0.0286(5) Uani 1 1 d D U . . .
C1_3 C 0.39768(14) 0.3055(3) 0.8089(2) 0.0279(6) Uani 1 1 d D U . . .
C2_3 C 0.39812(19) 0.1786(3) 0.7884(3) 0.0460(9) Uani 1 1 d D U . . .
F1_3 F 0.34772(14) 0.1470(2) 0.71820(17) 0.0679(8) Uani 1 1 d D U . . .
F2_3 F 0.41090(13) 0.1089(2) 0.84983(17) 0.0575(7) Uani 1 1 d D U . . .
F3_3 F 0.43610(14) 0.1611(2) 0.77784(19) 0.0626(8) Uani 1 1 d D U . . .
C3_3 C 0.44975(17) 0.3306(4) 0.9011(2) 0.0444(9) Uani 1 1 d D U . . .
F4_3 F 0.45878(14) 0.4424(3) 0.91213(17) 0.0695(8) Uani 1 1 d D U . . .
F5_3 F 0.49662(11) 0.2830(3) 0.92038(18) 0.0658(8) Uani 1 1 d D U . . .
F6_3 F 0.44373(13) 0.2941(3) 0.95603(15) 0.0617(7) Uani 1 1 d D U . . .
C4_3 C 0.34265(17) 0.3280(4) 0.7970(3) 0.0452(9) Uani 1 1 d D U . . .
F7_3 F 0.34602(14) 0.4261(2) 0.83140(19) 0.0641(8) Uani 1 1 d D U . . .
F8_3 F 0.33278(12) 0.2480(3) 0.83178(19) 0.0624(8) Uani 1 1 d D U . . .
F9_3 F 0.29762(11) 0.3346(3) 0.71552(18) 0.0671(8) Uani 1 1 d D U . . .
O1_2 O 0.3619(2) 0.6017(4) 0.7338(4) 0.0301(10) Uani 0.873(5) 1 d D U P A 1
C1_2 C 0.35721(18) 0.7103(4) 0.7534(3) 0.0294(9) Uani 0.873(5) 1 d D U P A 1
C2_2 C 0.4002(2) 0.7277(4) 0.8498(3) 0.0433(10) Uani 0.873(5) 1 d D U P A 1
F1_2 F 0.38422(18) 0.6735(4) 0.8882(2) 0.0577(10) Uani 0.873(5) 1 d D U P A 1
F2_2 F 0.40724(18) 0.8374(3) 0.8715(3) 0.0615(10) Uani 0.873(5) 1 d D U P A 1
F3_2 F 0.4505(2) 0.6860(4) 0.8798(3) 0.0526(11) Uani 0.873(5) 1 d D U P A 1
C3_2 C 0.36877(18) 0.7989(3) 0.7101(3) 0.0363(9) Uani 0.873(5) 1 d D U P A 1
F4_2 F 0.3437(3) 0.7692(7) 0.6314(4) 0.0472(13) Uani 0.873(5) 1 d D U P A 1
F5_2 F 0.4250(2) 0.8047(5) 0.7501(3) 0.0454(11) Uani 0.873(5) 1 d D U P A 1
F6_2 F 0.35075(17) 0.9028(2) 0.7084(3) 0.0523(9) Uani 0.873(5) 1 d D U P A 1
C4_2 C 0.29570(19) 0.7225(4) 0.7210(3) 0.0444(11) Uani 0.873(5) 1 d D U P A 1
F7_2 F 0.25939(13) 0.7338(4) 0.6379(3) 0.0592(10) Uani 0.873(5) 1 d D U P A 1
F8_2 F 0.2902(3) 0.8172(5) 0.7524(5) 0.0685(19) Uani 0.873(5) 1 d D U P A 1
F9_2 F 0.2797(3) 0.6350(5) 0.7413(5) 0.0550(16) Uani 0.873(5) 1 d D U P A 1
O1_1 O 0.38047(10) 0.5009(2) 0.62311(15) 0.0314(5) Uani 1 1 d D U . . .
C1_1 C 0.33858(16) 0.4540(3) 0.5452(2) 0.0355(7) Uani 1 1 d D U . . .
C2_1 C 0.3516(2) 0.3248(4) 0.5464(3) 0.0508(10) Uani 1 1 d D U . . .
F1_1 F 0.40652(18) 0.3126(3) 0.5839(3) 0.1009(14) Uani 1 1 d D U . . .
F2_1 F 0.3211(2) 0.2795(3) 0.4714(2) 0.1090(15) Uani 1 1 d D U . . .
F3_1 F 0.34315(14) 0.2659(2) 0.59153(18) 0.0600(7) Uani 1 1 d D U . . .
C3_1 C 0.27913(16) 0.4676(4) 0.5206(2) 0.0432(9) Uani 1 1 d D U . . .
F4_1 F 0.26325(13) 0.5766(3) 0.5075(2) 0.0801(10) Uani 1 1 d D U . . .
F5_1 F 0.28044(12) 0.4347(3) 0.58324(19) 0.0711(9) Uani 1 1 d D U . . .
F6_1 F 0.24028(14) 0.4090(4) 0.4548(2) 0.0932(13) Uani 1 1 d D U . . .
C4_1 C 0.34091(18) 0.5163(4) 0.4816(2) 0.0438(9) Uani 1 1 d D U . . .
F7_1 F 0.33341(12) 0.6277(2) 0.48161(17) 0.0568(7) Uani 1 1 d D U . . .
F8_1 F 0.30300(16) 0.4783(3) 0.40422(16) 0.0805(11) Uani 1 1 d D U . . .
F9_1 F 0.39385(12) 0.5056(2) 0.50650(18) 0.0567(7) Uani 1 1 d D U . . .
Al1 Al 0.39854(4) 0.50412(8) 0.72357(6) 0.0265(2) Uani 1 1 d . . . . .
Cl1 Cl 0.53335(6) 0.98823(10) 0.95154(8) 0.0556(3) Uani 1 1 d . . . . .
Cl2 Cl 0.57696(7) 1.02782(9) 0.86372(8) 0.0609(3) Uani 1 1 d . . . . .
Cl3 Cl 0.65191(5) 0.94413(11) 1.03515(8) 0.0657(4) Uani 1 1 d . . . . .
F1 F 0.46694(8) 0.54678(18) 0.77181(13) 0.0337(4) Uani 1 1 d . . . . .
N1 N 0.55724(14) 0.7340(3) 0.8817(2) 0.0380(7) Uani 1 1 d . . . . .
C1 C 0.56807(15) 0.8250(3) 0.9068(2) 0.0343(7) Uani 1 1 d . . . . .
C2 C 0.58238(17) 0.9432(3) 0.9386(2) 0.0381(8) Uani 1 1 d . . . . .
Li1 Li 0.5454(3) 0.5686(5) 0.8446(4) 0.0380(13) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1_4 C1_4 1.39(4) . ?
O1_4 Al1 1.65(3) . ?
C1_4 C4_4 1.542(15) . ?
C1_4 C3_4 1.544(15) . ?
C1_4 C2_4 1.548(14) . ?
C2_4 F1_4 1.324(14) . ?
C2_4 F3_4 1.330(13) . ?
C2_4 F2_4 1.331(14) . ?
C3_4 F4_4 1.313(14) . ?
C3_4 F6_4 1.324(14) . ?
C3_4 F5_4 1.328(14) . ?
C4_4 F7_4 1.329(14) . ?
C4_4 F9_4 1.332(14) . ?
C4_4 F8_4 1.332(14) . ?
O1_3 C1_3 1.356(4) . ?
O1_3 Al1 1.695(2) . ?
C1_3 C3_3 1.541(5) . ?
C1_3 C2_3 1.549(5) . ?
C1_3 C4_3 1.552(5) . ?
C2_3 F3_3 1.321(5) . ?
C2_3 F1_3 1.325(5) . ?
C2_3 F2_3 1.340(4) . ?
C3_3 F6_3 1.328(5) . ?
C3_3 F4_3 1.330(5) . ?
C3_3 F5_3 1.334(5) . ?
C4_3 F7_3 1.322(5) . ?
C4_3 F8_3 1.327(4) . ?
C4_3 F9_3 1.331(5) . ?
O1_2 C1_2 1.371(6) . ?
O1_2 Al1 1.701(4) . ?
C1_2 C4_2 1.541(6) . ?
C1_2 C2_2 1.547(6) . ?
C1_2 C3_2 1.549(6) . ?
C2_2 F3_2 1.325(6) . ?
C2_2 F1_2 1.326(5) . ?
C2_2 F2_2 1.334(6) . ?
C3_2 F6_2 1.327(5) . ?
C3_2 F4_2 1.328(7) . ?
C3_2 F5_2 1.345(6) . ?
C4_2 F9_2 1.315(7) . ?
C4_2 F7_2 1.326(6) . ?
C4_2 F8_2 1.349(6) . ?
O1_1 C1_1 1.379(4) . ?
O1_1 Al1 1.774(2) . ?
O1_1 Li1 2.060(7) 2_656 ?
C1_1 C4_1 1.542(5) . ?
C1_1 C3_1 1.544(5) . ?
C1_1 C2_1 1.561(5) . ?
C2_1 F2_1 1.307(5) . ?
C2_1 F3_1 1.309(5) . ?
C2_1 F1_1 1.329(6) . ?
C3_1 F6_1 1.292(5) . ?
C3_1 F5_1 1.324(4) . ?
C3_1 F4_1 1.333(5) . ?
C4_1 F8_1 1.315(4) . ?
C4_1 F7_1 1.327(5) . ?
C4_1 F9_1 1.348(5) . ?
F9_1 Li1 2.482(8) 2_656 ?
Al1 F1 1.712(2) . ?
Al1 Li1 2.917(6) 2_656 ?
Cl1 C2 1.756(4) . ?
Cl2 C2 1.753(4) . ?
Cl3 C2 1.753(4) . ?
F1 Li1 1.857(6) . ?
F1 Li1 2.196(7) 2_656 ?
N1 C1 1.139(5) . ?
N1 Li1 2.033(7) . ?
C1 C2 1.476(5) . ?
Li1 O1_1 2.060(7) 2_656 ?
Li1 F1 2.196(7) 2_656 ?
Li1 F9_1 2.482(8) 2_656 ?
Li1 Al1 2.917(6) 2_656 ?
Li1 Li1 3.021(14) 2_656 ?

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
C1_4 O1_4 Al1 160(3) . . ?
O1_4 C1_4 C4_4 107(2) . . ?
O1_4 C1_4 C3_4 109(2) . . ?
C4_4 C1_4 C3_4 111.1(17) . . ?
O1_4 C1_4 C2_4 109(2) . . ?
C4_4 C1_4 C2_4 109.6(16) . . ?
C3_4 C1_4 C2_4 110.4(17) . . ?
F1_4 C2_4 F3_4 108(2) . . ?
F1_4 C2_4 F2_4 108(2) . . ?
F3_4 C2_4 F2_4 108.6(17) . . ?
F1_4 C2_4 C1_4 110(3) . . ?
F3_4 C2_4 C1_4 111.7(17) . . ?
F2_4 C2_4 C1_4 110.7(19) . . ?
F4_4 C3_4 F6_4 108(2) . . ?
F4_4 C3_4 F5_4 108(2) . . ?
F6_4 C3_4 F5_4 107(2) . . ?
F4_4 C3_4 C1_4 110.0(18) . . ?
F6_4 C3_4 C1_4 114(3) . . ?
F5_4 C3_4 C1_4 110(3) . . ?
F7_4 C4_4 F9_4 105.8(19) . . ?
F7_4 C4_4 F8_4 103.8(17) . . ?
F9_4 C4_4 F8_4 106.4(19) . . ?
F7_4 C4_4 C1_4 117(2) . . ?
F9_4 C4_4 C1_4 110(2) . . ?
F8_4 C4_4 C1_4 112.2(19) . . ?
C1_3 O1_3 Al1 147.5(2) . . ?
O1_3 C1_3 C3_3 110.9(3) . . ?
O1_3 C1_3 C2_3 108.4(3) . . ?
C3_3 C1_3 C2_3 109.9(3) . . ?
O1_3 C1_3 C4_3 110.6(3) . . ?
C3_3 C1_3 C4_3 108.6(3) . . ?
C2_3 C1_3 C4_3 108.4(3) . . ?
F3_3 C2_3 F1_3 107.5(3) . . ?
F3_3 C2_3 F2_3 107.7(3) . . ?
F1_3 C2_3 F2_3 107.4(3) . . ?
F3_3 C2_3 C1_3 110.8(3) . . ?
F1_3 C2_3 C1_3 111.2(3) . . ?
F2_3 C2_3 C1_3 112.1(3) . . ?
F6_3 C3_3 F4_3 107.3(3) . . ?
F6_3 C3_3 F5_3 108.2(3) . . ?
F4_3 C3_3 F5_3 107.3(4) . . ?
F6_3 C3_3 C1_3 113.6(3) . . ?
F4_3 C3_3 C1_3 109.7(3) . . ?
F5_3 C3_3 C1_3 110.5(3) . . ?
F7_3 C4_3 F8_3 107.0(3) . . ?
F7_3 C4_3 F9_3 107.0(3) . . ?
F8_3 C4_3 F9_3 108.5(3) . . ?
F7_3 C4_3 C1_3 110.9(3) . . ?
F8_3 C4_3 C1_3 112.8(3) . . ?
F9_3 C4_3 C1_3 110.4(3) . . ?
C1_2 O1_2 Al1 149.5(4) . . ?
O1_2 C1_2 C4_2 106.6(4) . . ?
O1_2 C1_2 C2_2 109.9(4) . . ?
C4_2 C1_2 C2_2 110.1(4) . . ?
O1_2 C1_2 C3_2 110.4(4) . . ?
C4_2 C1_2 C3_2 110.2(4) . . ?
C2_2 C1_2 C3_2 109.6(4) . . ?
F3_2 C2_2 F1_2 107.3(4) . . ?
F3_2 C2_2 F2_2 108.0(4) . . ?
F1_2 C2_2 F2_2 107.7(4) . . ?
F3_2 C2_2 C1_2 109.3(4) . . ?
F1_2 C2_2 C1_2 111.9(4) . . ?
F2_2 C2_2 C1_2 112.5(4) . . ?
F6_2 C3_2 F4_2 107.6(5) . . ?
F6_2 C3_2 F5_2 108.1(4) . . ?
F4_2 C3_2 F5_2 106.2(4) . . ?
F6_2 C3_2 C1_2 112.9(4) . . ?
F4_2 C3_2 C1_2 111.4(4) . . ?
F5_2 C3_2 C1_2 110.3(4) . . ?
F9_2 C4_2 F7_2 108.4(5) . . ?
F9_2 C4_2 F8_2 107.9(5) . . ?
F7_2 C4_2 F8_2 106.4(5) . . ?
F9_2 C4_2 C1_2 112.5(5) . . ?
F7_2 C4_2 C1_2 110.6(4) . . ?
F8_2 C4_2 C1_2 110.8(5) . . ?
C1_1 O1_1 Al1 137.6(2) . . ?
C1_1 O1_1 Li1 122.6(3) . 2_656 ?
Al1 O1_1 Li1 98.8(2) . 2_656 ?
O1_1 C1_1 C4_1 107.0(3) . . ?
O1_1 C1_1 C3_1 111.1(3) . . ?
C4_1 C1_1 C3_1 110.5(3) . . ?
O1_1 C1_1 C2_1 109.4(3) . . ?
C4_1 C1_1 C2_1 109.0(3) . . ?
C3_1 C1_1 C2_1 109.7(3) . . ?
F2_1 C2_1 F3_1 108.4(4) . . ?
F2_1 C2_1 F1_1 108.9(4) . . ?
F3_1 C2_1 F1_1 105.8(4) . . ?
F2_1 C2_1 C1_1 113.2(4) . . ?
F3_1 C2_1 C1_1 111.2(3) . . ?
F1_1 C2_1 C1_1 109.0(3) . . ?
F6_1 C3_1 F5_1 108.1(4) . . ?
F6_1 C3_1 F4_1 109.1(4) . . ?
F5_1 C3_1 F4_1 105.0(4) . . ?
F6_1 C3_1 C1_1 112.7(4) . . ?
F5_1 C3_1 C1_1 110.4(3) . . ?
F4_1 C3_1 C1_1 111.3(3) . . ?
F8_1 C4_1 F7_1 108.4(4) . . ?
F8_1 C4_1 F9_1 110.0(4) . . ?
F7_1 C4_1 F9_1 104.8(3) . . ?
F8_1 C4_1 C1_1 113.0(3) . . ?
F7_1 C4_1 C1_1 111.5(3) . . ?
F9_1 C4_1 C1_1 108.8(3) . . ?
C4_1 F9_1 Li1 102.2(2) . 2_656 ?
O1_4 Al1 O1_3 117.1(15) . . ?
O1_3 Al1 O1_2 114.1(2) . . ?
O1_4 Al1 F1 107.4(15) . . ?
O1_3 Al1 F1 110.13(12) . . ?
O1_2 Al1 F1 112.3(2) . . ?
O1_4 Al1 O1_1 115.7(16) . . ?
O1_3 Al1 O1_1 111.01(12) . . ?
O1_2 Al1 O1_1 114.8(2) . . ?
F1 Al1 O1_1 92.45(11) . . ?
O1_4 Al1 Li1 117.9(15) . 2_656 ?
O1_3 Al1 Li1 124.84(15) . 2_656 ?
O1_2 Al1 Li1 121.0(2) . 2_656 ?
F1 Al1 Li1 48.51(15) . 2_656 ?
O1_1 Al1 Li1 44.25(16) . 2_656 ?
Al1 F1 Li1 165.9(3) . . ?
Al1 F1 Li1 95.76(19) . 2_656 ?
Li1 F1 Li1 96.0(3) . 2_656 ?
C1 N1 Li1 174.9(4) . . ?
N1 C1 C2 179.2(4) . . ?
C1 C2 Cl2 107.8(3) . . ?
C1 C2 Cl3 108.2(3) . . ?
Cl2 C2 Cl3 111.5(2) . . ?
C1 C2 Cl1 108.2(3) . . ?
Cl2 C2 Cl1 110.6(2) . . ?
Cl3 C2 Cl1 110.6(2) . . ?
F1 Li1 N1 105.3(3) . . ?
F1 Li1 O1_1 141.8(4) . 2_656 ?
N1 Li1 O1_1 110.6(3) . 2_656 ?
F1 Li1 F1 82.2(3) . 2_656 ?
N1 Li1 F1 112.9(3) . 2_656 ?
O1_1 Li1 F1 72.4(2) 2_656 2_656 ?
F1 Li1 F9_1 121.3(3) . 2_656 ?
N1 Li1 F9_1 90.2(3) . 2_656 ?
O1_1 Li1 F9_1 71.7(2) 2_656 2_656 ?
F1 Li1 F9_1 142.4(3) 2_656 2_656 ?
F1 Li1 Al1 114.8(3) . 2_656 ?
N1 Li1 Al1 114.3(3) . 2_656 ?
O1_1 Li1 Al1 36.93(13) 2_656 2_656 ?
F1 Li1 Al1 35.73(11) 2_656 2_656 ?
F9_1 Li1 Al1 108.4(2) 2_656 2_656 ?
F1 Li1 Li1 46.31(19) . 2_656 ?
N1 Li1 Li1 106.5(2) . 2_656 ?
O1_1 Li1 Li1 109.2(3) 2_656 2_656 ?
F1 Li1 Li1 37.70(16) 2_656 2_656 ?
F9_1 Li1 Li1 161.0(2) 2_656 2_656 ?
Al1 Li1 Li1 73.2(2) 2_656 2_656 ?

_refine_diff_density_max         1.555
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.096


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzene/CH2Cl2/Cl3CCN'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P21n_a
_database_code_depnum_ccdc_archive 'CCDC 1845814'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 Al2 F55 O6, N O'
_chemical_formula_sum            'C24 Al2 F55 N O7'
_chemical_formula_weight         1513.21

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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.6841(2)
_cell_length_b                   18.2966(3)
_cell_length_c                   22.3798(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.8220(10)
_cell_angle_gamma                90
_cell_volume                     4359.38(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9949
_cell_measurement_theta_min      2.214
_cell_measurement_theta_max      25.679

_exptl_crystal_description       flake
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.306
_exptl_crystal_F_000             2912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.350
_shelx_estimated_absorpt_T_min   0.946
_shelx_estimated_absorpt_T_max   0.976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7115
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsouce'
_diffrn_measurement_device_type  'Bruker Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70133
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.440
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9618
_reflns_number_gt                7061
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ShelXle-786
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0498P)²+4.9411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9618
_refine_ls_number_parameters     1073
_refine_ls_number_restraints     12483
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.1202
_refine_ls_wR_factor_gt          0.1079
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      0.827
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
O1_1 O 0.82730(15) 0.30836(10) 0.40348(8) 0.0231(4) Uani 1 1 d D U . . .
C1_1 C 0.8336(2) 0.37485(14) 0.37754(11) 0.0217(5) Uani 1 1 d D U . . .
C2_1 C 0.7444(3) 0.42983(16) 0.40512(13) 0.0320(7) Uani 1 1 d D U . . .
F1_1 F 0.62555(15) 0.42076(9) 0.38079(8) 0.0354(4) Uani 1 1 d D U . . .
F2_1 F 0.77501(19) 0.49864(10) 0.39601(10) 0.0528(5) Uani 1 1 d D U . . .
F3_1 F 0.74390(19) 0.41826(11) 0.46345(8) 0.0499(5) Uani 1 1 d D U . . .
C3_1 C 0.9720(3) 0.40240(18) 0.38732(14) 0.0355(7) Uani 1 1 d D U . . .
F4_1 F 1.05131(15) 0.34891(11) 0.37845(9) 0.0480(5) Uani 1 1 d D U . . .
F5_1 F 0.99596(18) 0.42698(12) 0.44256(9) 0.0556(6) Uani 1 1 d D U . . .
F6_1 F 0.99340(17) 0.45657(11) 0.34969(9) 0.0487(5) Uani 1 1 d D U . . .
C4_1 C 0.7964(2) 0.36827(16) 0.30941(12) 0.0279(6) Uani 1 1 d D U . . .
F7_1 F 0.88424(17) 0.33627(11) 0.28084(8) 0.0429(5) Uani 1 1 d D U . . .
F8_1 F 0.77138(16) 0.43326(10) 0.28328(8) 0.0413(5) Uani 1 1 d D U . . .
F9_1 F 0.69185(15) 0.32850(10) 0.29950(7) 0.0339(4) Uani 1 1 d D U . . .
O1_8 O 0.5817(13) 0.249(2) 0.4105(17) 0.0201(6) Uani 0.195(2) 1 d D U P A 2
C1_8 C 0.459(2) 0.2287(9) 0.4142(7) 0.0198(6) Uani 0.195(2) 1 d D U P A 2
C2_8 C 0.4112(11) 0.1894(7) 0.3553(5) 0.035(3) Uani 0.195(2) 1 d D U P A 2
F1_8 F 0.454(3) 0.2273(18) 0.3109(14) 0.048(6) Uani 0.195(2) 1 d D U P A 2
F2_8 F 0.2885(10) 0.1825(8) 0.3497(6) 0.046(3) Uani 0.195(2) 1 d D U P A 2
F3_8 F 0.4518(13) 0.1223(7) 0.3520(5) 0.053(3) Uani 0.195(2) 1 d D U P A 2
C3_8 C 0.4519(11) 0.1762(7) 0.4682(5) 0.024(2) Uani 0.195(2) 1 d D U P A 2
F4_8 F 0.4621(9) 0.2103(6) 0.5194(4) 0.033(2) Uani 0.195(2) 1 d D U P A 2
F5_8 F 0.540(3) 0.1254(19) 0.4645(18) 0.043(6) Uani 0.195(2) 1 d D U P A 2
F6_8 F 0.344(2) 0.1394(17) 0.4653(17) 0.026(4) Uani 0.195(2) 1 d D U P A 2
C4_8 C 0.3792(11) 0.2978(6) 0.4233(5) 0.029(2) Uani 0.195(2) 1 d D U P A 2
F7_8 F 0.433(2) 0.3451(15) 0.4619(11) 0.0389(9) Uani 0.195(2) 1 d D U P A 2
F8_8 F 0.2676(11) 0.2794(9) 0.4405(6) 0.038(3) Uani 0.195(2) 1 d D U P A 2
F9_8 F 0.3577(9) 0.3349(6) 0.3730(4) 0.0360(3) Uani 0.195(2) 1 d D U P A 2
O1_9 O 0.9134(13) 0.261(2) 0.6130(15) 0.0210(8) Uani 0.195(2) 1 d D U P A 2
C1_9 C 1.039(2) 0.2709(8) 0.6067(7) 0.0177(6) Uani 0.195(2) 1 d D U P A 2
C2_9 C 1.0502(12) 0.3236(7) 0.5532(5) 0.032(2) Uani 0.195(2) 1 d D U P A 2
F1_9 F 1.0328(10) 0.2863(6) 0.5019(5) 0.034(2) Uani 0.195(2) 1 d D U P A 2
F2_9 F 1.1622(16) 0.3547(13) 0.5558(10) 0.0346(9) Uani 0.195(2) 1 d D U P A 2
F3_9 F 0.961(3) 0.3727(18) 0.5538(16) 0.0379(9) Uani 0.195(2) 1 d D U P A 2
C3_9 C 1.0996(10) 0.3039(7) 0.6660(6) 0.036(3) Uani 0.195(2) 1 d D U P A 2
F4_9 F 1.058(3) 0.2731(16) 0.7138(13) 0.032(5) Uani 0.195(2) 1 d D U P A 2
F5_9 F 1.0691(16) 0.3735(7) 0.6672(6) 0.0369(7) Uani 0.195(2) 1 d D U P A 2
F6_9 F 1.2240(8) 0.2959(8) 0.6686(5) 0.046(3) Uani 0.195(2) 1 d D U P A 2
C4_9 C 1.1029(12) 0.1974(7) 0.5955(6) 0.041(3) Uani 0.195(2) 1 d D U P A 2
F7_9 F 1.1197(16) 0.1579(9) 0.6464(6) 0.049(4) Uani 0.195(2) 1 d D U P A 2
F8_9 F 1.2142(13) 0.2063(12) 0.5738(7) 0.047(4) Uani 0.195(2) 1 d D U P A 2
F9_9 F 1.037(2) 0.1531(15) 0.5565(10) 0.043(5) Uani 0.195(2) 1 d D U P A 2
O1_2 O 0.5842(3) 0.2515(5) 0.4071(4) 0.0201(6) Uani 0.805(2) 1 d D U P A 1
C1_2 C 0.4635(6) 0.2343(3) 0.4154(2) 0.0198(6) Uani 0.805(2) 1 d D U P A 1
C2_2 C 0.3835(3) 0.2507(2) 0.35601(15) 0.0285(8) Uani 0.805(2) 1 d D U P A 1
F1_2 F 0.3708(2) 0.32295(13) 0.34883(11) 0.0360(3) Uani 0.805(2) 1 d D U P A 1
F2_2 F 0.2694(2) 0.22206(18) 0.35457(13) 0.0386(7) Uani 0.805(2) 1 d D U P A 1
F3_2 F 0.4383(7) 0.2255(4) 0.3092(3) 0.0346(11) Uani 0.805(2) 1 d D U P A 1
C3_2 C 0.4506(3) 0.1522(2) 0.43149(17) 0.0301(8) Uani 0.805(2) 1 d D U P A 1
F4_2 F 0.5471(6) 0.1329(4) 0.4713(4) 0.0350(12) Uani 0.805(2) 1 d D U P A 1
F5_2 F 0.4552(3) 0.11122(14) 0.38234(13) 0.0408(7) Uani 0.805(2) 1 d D U P A 1
F6_2 F 0.3441(6) 0.1374(5) 0.4557(4) 0.0399(18) Uani 0.805(2) 1 d D U P A 1
C4_2 C 0.4174(3) 0.2819(2) 0.46638(15) 0.0288(8) Uani 0.805(2) 1 d D U P A 1
F7_2 F 0.4599(2) 0.25300(16) 0.51968(10) 0.0339(6) Uani 0.805(2) 1 d D U P A 1
F8_2 F 0.2928(3) 0.2855(2) 0.46446(13) 0.0364(8) Uani 0.805(2) 1 d D U P A 1
F9_2 F 0.4621(4) 0.3488(3) 0.4639(2) 0.0389(9) Uani 0.805(2) 1 d D U P A 1
O1_3 O 0.8038(9) 0.1559(3) 0.4207(4) 0.0230(6) Uani 0.805(2) 1 d D U P A 1
C1_3 C 0.8489(5) 0.1097(4) 0.3799(3) 0.0222(6) Uani 0.805(2) 1 d D U P A 1
C2_3 C 0.8453(4) 0.0313(3) 0.4057(2) 0.0362(8) Uani 0.805(2) 1 d D U P A 1
F1_3 F 0.9382(3) 0.02111(15) 0.44774(12) 0.0582(8) Uani 0.805(2) 1 d D U P A 1
F2_3 F 0.8609(3) -0.0195(2) 0.36308(16) 0.0516(9) Uani 0.805(2) 1 d D U P A 1
F3_3 F 0.7393(3) 0.01788(14) 0.42917(14) 0.0503(7) Uani 0.805(2) 1 d D U P A 1
C3_3 C 0.7659(4) 0.1119(2) 0.3196(2) 0.0308(8) Uani 0.805(2) 1 d D U P A 1
F4_3 F 0.7362(2) 0.18055(14) 0.30560(10) 0.0420(6) Uani 0.805(2) 1 d D U P A 1
F5_3 F 0.6599(2) 0.07561(18) 0.32261(12) 0.0502(7) Uani 0.805(2) 1 d D U P A 1
F6_3 F 0.8237(4) 0.08366(17) 0.27387(15) 0.0410(8) Uani 0.805(2) 1 d D U P A 1
C4_3 C 0.9855(5) 0.1304(3) 0.3684(2) 0.0335(9) Uani 0.805(2) 1 d D U P A 1
F7_3 F 0.9870(2) 0.18944(13) 0.33358(13) 0.0444(6) Uani 0.805(2) 1 d D U P A 1
F8_3 F 1.0448(7) 0.0767(3) 0.3408(2) 0.0446(10) Uani 0.805(2) 1 d D U P A 1
F9_3 F 1.0532(2) 0.1441(2) 0.41895(13) 0.0569(9) Uani 0.805(2) 1 d D U P A 1
O1_4 O 0.69082(16) 0.34547(10) 0.59354(7) 0.0210(4) Uani 1 1 d D U . . .
C1_4 C 0.6505(2) 0.39499(14) 0.63286(11) 0.0203(5) Uani 1 1 d D U . . .
C2_4 C 0.7357(2) 0.39537(15) 0.69243(12) 0.0256(6) Uani 1 1 d D U . . .
F1_4 F 0.76058(16) 0.32709(9) 0.71009(7) 0.0353(4) Uani 1 1 d D U . . .
F2_4 F 0.68213(16) 0.42882(10) 0.73685(7) 0.0336(4) Uani 1 1 d D U . . .
F3_4 F 0.84431(15) 0.42798(10) 0.68663(7) 0.0366(4) Uani 1 1 d D U . . .
C3_4 C 0.6556(3) 0.47149(15) 0.60320(12) 0.0272(6) Uani 1 1 d D U . . .
F4_4 F 0.56429(16) 0.47974(10) 0.55989(7) 0.0394(4) Uani 1 1 d D U . . .
F5_4 F 0.76322(16) 0.48250(9) 0.58004(7) 0.0346(4) Uani 1 1 d D U . . .
F6_4 F 0.64222(17) 0.52511(9) 0.64363(8) 0.0378(4) Uani 1 1 d D U . . .
C4_4 C 0.5133(2) 0.37765(17) 0.64607(13) 0.0307(6) Uani 1 1 d D U . . .
F7_4 F 0.44289(15) 0.36321(13) 0.59681(8) 0.0498(5) Uani 1 1 d D U . . .
F8_4 F 0.46018(15) 0.43465(10) 0.67301(8) 0.0388(4) Uani 1 1 d D U . . .
F9_4 F 0.51007(16) 0.32094(10) 0.68287(9) 0.0417(4) Uani 1 1 d D U . . .
O1_5 O 0.66879(15) 0.19347(10) 0.61434(8) 0.0218(4) Uani 1 1 d D U . . .
C1_5 C 0.6594(2) 0.13032(15) 0.64457(11) 0.0220(5) Uani 1 1 d D U . . .
C2_5 C 0.7009(2) 0.14206(15) 0.71185(12) 0.0267(6) Uani 1 1 d D U . . .
F1_5 F 0.80984(14) 0.17882(9) 0.71825(7) 0.0282(4) Uani 1 1 d D U . . .
F2_5 F 0.72139(16) 0.07923(9) 0.74181(7) 0.0372(4) Uani 1 1 d D U . . .
F3_5 F 0.61757(15) 0.18044(10) 0.73920(7) 0.0360(3) Uani 1 1 d D U . . .
C3_5 C 0.5192(2) 0.10559(17) 0.63811(13) 0.0300(6) Uani 1 1 d D U . . .
F4_5 F 0.49126(16) 0.07686(11) 0.58422(8) 0.0424(5) Uani 1 1 d D U . . .
F5_5 F 0.44420(14) 0.16156(10) 0.64424(8) 0.0400(4) Uani 1 1 d D U . . .
F6_5 F 0.49608(16) 0.05557(10) 0.67896(8) 0.0422(5) Uani 1 1 d D U . . .
C4_5 C 0.7428(3) 0.07012(16) 0.61945(13) 0.0301(6) Uani 1 1 d D U . . .
F7_5 F 0.74007(17) 0.07454(11) 0.56047(8) 0.0429(5) Uani 1 1 d D U . . .
F8_5 F 0.70978(17) 0.00338(10) 0.63456(9) 0.0457(5) Uani 1 1 d D U . . .
F9_5 F 0.86411(14) 0.07853(9) 0.64070(8) 0.0329(4) Uani 1 1 d D U . . .
O1_6 O 0.9113(3) 0.2523(5) 0.6144(4) 0.0210(8) Uani 0.805(2) 1 d D U P A 1
C1_6 C 1.0343(6) 0.2600(2) 0.6066(2) 0.0177(6) Uani 0.805(2) 1 d D U P A 1
C2_6 C 1.1087(3) 0.23376(17) 0.66463(13) 0.0190(7) Uani 0.805(2) 1 d D U P A 1
F1_6 F 1.0591(8) 0.2591(4) 0.7123(3) 0.0281(12) Uani 0.805(2) 1 d D U P A 1
F2_6 F 1.22906(18) 0.25164(14) 0.66818(11) 0.0284(5) Uani 0.805(2) 1 d D U P A
1
F3_6 F 1.1025(3) 0.16063(17) 0.66923(12) 0.0286(6) Uani 0.805(2) 1 d D U P A 1
C3_6 C 1.0687(3) 0.21361(19) 0.55239(14) 0.0215(7) Uani 0.805(2) 1 d D U P A 1
F4_6 F 1.0335(2) 0.24741(15) 0.50153(10) 0.0289(6) Uani 0.805(2) 1 d D U P A 1
F5_6 F 1.0065(5) 0.1509(3) 0.5515(2) 0.0327(10) Uani 0.805(2) 1 d D U P A 1
F6_6 F 1.1907(3) 0.1992(3) 0.55380(14) 0.0310(8) Uani 0.805(2) 1 d D U P A 1
C4_6 C 1.0680(3) 0.34182(18) 0.59575(15) 0.0247(7) Uani 0.805(2) 1 d D U P A 1
F7_6 F 0.9803(5) 0.3736(4) 0.5602(4) 0.0379(9) Uani 0.805(2) 1 d D U P A 1
F8_6 F 1.1770(3) 0.3482(3) 0.57088(17) 0.0346(9) Uani 0.805(2) 1 d D U P A 1
F9_6 F 1.0783(3) 0.37968(15) 0.64631(12) 0.0369(7) Uani 0.805(2) 1 d D U P A 1
O1_7 O 0.808(4) 0.1590(14) 0.4181(16) 0.0230(6) Uani 0.195(2) 1 d D U P A 2
C1_7 C 0.854(2) 0.1123(14) 0.3806(11) 0.0222(6) Uani 0.195(2) 1 d D U P A 2
C2_7 C 0.9980(17) 0.1233(8) 0.3806(8) 0.0335(9) Uani 0.195(2) 1 d D U P A 2
F1_7 F 1.0245(8) 0.1934(5) 0.3773(6) 0.041(2) Uani 0.195(2) 1 d D U P A 2
F2_7 F 1.036(3) 0.0905(14) 0.3326(9) 0.0446(10) Uani 0.195(2) 1 d D U P A 2
F3_7 F 1.0550(10) 0.0963(7) 0.4309(5) 0.043(3) Uani 0.195(2) 1 d D U P A 2
C3_7 C 0.8286(14) 0.0336(10) 0.4025(7) 0.0362(8) Uani 0.195(2) 1 d D U P A 2
F4_7 F 0.7085(9) 0.0181(6) 0.3890(5) 0.043(2) Uani 0.195(2) 1 d D U P A 2
F5_7 F 0.8526(11) 0.0285(5) 0.4611(4) 0.042(2) Uani 0.195(2) 1 d D U P A 2
F6_7 F 0.9022(15) -0.0138(11) 0.3779(8) 0.0516(9) Uani 0.195(2) 1 d D U P A 2
C4_7 C 0.7935(13) 0.1217(8) 0.3156(8) 0.0308(8) Uani 0.195(2) 1 d D U P A 2
F7_7 F 0.6709(8) 0.1323(8) 0.3153(4) 0.043(3) Uani 0.195(2) 1 d D U P A 2
F8_7 F 0.8068(18) 0.0619(8) 0.2828(8) 0.0410(8) Uani 0.195(2) 1 d D U P A 2
F9_7 F 0.8433(10) 0.1785(5) 0.2887(4) 0.048(2) Uani 0.195(2) 1 d D U P A 2
Al1 Al 0.73857(6) 0.24029(4) 0.43026(3) 0.01512(16) Uani 1 1 d D . . . .
O1 O 0.5088(2) 0.45766(17) 0.24308(12) 0.0506(6) Uani 1 1 d . U . . .
N1 N 0.4891(2) 0.41517(18) 0.26776(13) 0.0400(7) Uani 1 1 d . U . . .
Al2 Al 0.75859(6) 0.26127(4) 0.58764(3) 0.01499(16) Uani 1 1 d D . . . .
F1 F 0.75196(12) 0.24922(8) 0.50923(6) 0.0205(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1_1 C1_1 1.352(3) . ?
O1_1 Al1 1.7043(19) . ?
C1_1 C4_1 1.548(4) . ?
C1_1 C2_1 1.549(4) . ?
C1_1 C3_1 1.560(4) . ?
C2_1 F2_1 1.321(3) . ?
C2_1 F3_1 1.323(3) . ?
C2_1 F1_1 1.350(3) . ?
C3_1 F5_1 1.320(4) . ?
C3_1 F4_1 1.321(4) . ?
C3_1 F6_1 1.333(3) . ?
C4_1 F7_1 1.317(3) . ?
C4_1 F9_1 1.336(3) . ?
C4_1 F8_1 1.342(3) . ?
O1_8 C1_8 1.37(3) . ?
O1_8 Al1 1.705(14) . ?
C1_8 C4_8 1.548(14) . ?
C1_8 C3_8 1.550(14) . ?
C1_8 C2_8 1.551(14) . ?
C2_8 F3_8 1.306(12) . ?
C2_8 F2_8 1.312(11) . ?
C2_8 F1_8 1.324(13) . ?
C3_8 F4_8 1.302(11) . ?
C3_8 F6_8 1.332(13) . ?
C3_8 F5_8 1.333(13) . ?
C4_8 F9_8 1.316(11) . ?
C4_8 F7_8 1.320(13) . ?
C4_8 F8_8 1.328(12) . ?
O1_9 C1_9 1.37(3) . ?
O1_9 Al2 1.703(13) . ?
C1_9 C4_9 1.540(14) . ?
C1_9 C2_9 1.551(14) . ?
C1_9 C3_9 1.551(14) . ?
C2_9 F3_9 1.310(13) . ?
C2_9 F2_9 1.322(13) . ?
C2_9 F1_9 1.335(12) . ?
C3_9 F5_9 1.315(12) . ?
C3_9 F4_9 1.319(13) . ?
C3_9 F6_9 1.334(11) . ?
C4_9 F8_9 1.332(12) . ?
C4_9 F9_9 1.344(13) . ?
C4_9 F7_9 1.348(12) . ?
O1_2 C1_2 1.356(8) . ?
O1_2 Al1 1.700(4) . ?
C1_2 C4_2 1.548(6) . ?
C1_2 C2_2 1.548(6) . ?
C1_2 C3_2 1.553(6) . ?
C2_2 F3_2 1.325(7) . ?
C2_2 F2_2 1.325(4) . ?
C2_2 F1_2 1.338(4) . ?
C3_2 F6_2 1.328(6) . ?
C3_2 F5_2 1.336(4) . ?
C3_2 F4_2 1.352(7) . ?
C4_2 F9_2 1.317(6) . ?
C4_2 F8_2 1.330(4) . ?
C4_2 F7_2 1.348(4) . ?
O1_3 C1_3 1.361(8) . ?
O1_3 Al1 1.715(4) . ?
C1_3 C2_3 1.548(6) . ?
C1_3 C4_3 1.550(5) . ?
C1_3 C3_3 1.553(5) . ?
C2_3 F3_3 1.310(5) . ?
C2_3 F1_3 1.322(5) . ?
C2_3 F2_3 1.352(5) . ?
C3_3 F5_3 1.318(4) . ?
C3_3 F4_3 1.327(5) . ?
C3_3 F6_3 1.342(5) . ?
C4_3 F9_3 1.314(5) . ?
C4_3 F7_3 1.333(5) . ?
C4_3 F8_3 1.348(5) . ?
O1_4 C1_4 1.358(3) . ?
O1_4 Al2 1.7120(19) . ?
C1_4 C2_4 1.549(3) . ?
C1_4 C3_4 1.552(4) . ?
C1_4 C4_4 1.553(3) . ?
C2_4 F3_4 1.321(3) . ?
C2_4 F1_4 1.330(3) . ?
C2_4 F2_4 1.336(3) . ?
C3_4 F5_4 1.316(3) . ?
C3_4 F4_4 1.325(3) . ?
C3_4 F6_4 1.350(3) . ?
C4_4 F7_4 1.308(3) . ?
C4_4 F9_4 1.327(3) . ?
C4_4 F8_4 1.353(3) . ?
O1_5 C1_5 1.347(3) . ?
O1_5 Al2 1.7067(18) . ?
C1_5 C2_5 1.548(4) . ?
C1_5 C4_5 1.551(4) . ?
C1_5 C3_5 1.560(3) . ?
C2_5 F3_5 1.324(3) . ?
C2_5 F2_5 1.339(3) . ?
C2_5 F1_5 1.341(3) . ?
C3_5 F5_5 1.315(3) . ?
C3_5 F4_5 1.326(3) . ?
C3_5 F6_5 1.331(3) . ?
C4_5 F7_5 1.320(3) . ?
C4_5 F8_5 1.323(3) . ?
C4_5 F9_5 1.351(3) . ?
O1_6 C1_6 1.348(7) . ?
O1_6 Al2 1.698(4) . ?
C1_6 C2_6 1.541(5) . ?
C1_6 C3_6 1.550(5) . ?
C1_6 C4_6 1.564(5) . ?
C2_6 F1_6 1.314(7) . ?
C2_6 F2_6 1.323(3) . ?
C2_6 F3_6 1.344(4) . ?
C3_6 F4_6 1.322(4) . ?
C3_6 F5_6 1.326(6) . ?
C3_6 F6_6 1.327(4) . ?
C4_6 F7_6 1.312(6) . ?
C4_6 F9_6 1.323(4) . ?
C4_6 F8_6 1.338(5) . ?
O1_7 C1_7 1.32(3) . ?
O1_7 Al1 1.693(14) . ?
C1_7 C3_7 1.552(14) . ?
C1_7 C2_7 1.554(14) . ?
C1_7 C4_7 1.551(14) . ?
C2_7 F1_7 1.317(13) . ?
C2_7 F3_7 1.328(13) . ?
C2_7 F2_7 1.326(14) . ?
C3_7 F5_7 1.318(13) . ?
C3_7 F4_7 1.323(13) . ?
C3_7 F6_7 1.321(13) . ?
C4_7 F7_7 1.323(12) . ?
C4_7 F8_7 1.331(13) . ?
C4_7 F9_7 1.333(13) . ?
Al1 F1 1.7687(15) . ?
O1 N1 0.986(3) . ?
Al2 F1 1.7640(15) . ?

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
C1_1 O1_1 Al1 149.07(16) . . ?
O1_1 C1_1 C4_1 109.6(2) . . ?
O1_1 C1_1 C2_1 111.0(2) . . ?
C4_1 C1_1 C2_1 109.1(2) . . ?
O1_1 C1_1 C3_1 108.1(2) . . ?
C4_1 C1_1 C3_1 109.0(2) . . ?
C2_1 C1_1 C3_1 110.0(2) . . ?
F2_1 C2_1 F3_1 109.1(2) . . ?
F2_1 C2_1 F1_1 106.9(2) . . ?
F3_1 C2_1 F1_1 107.2(2) . . ?
F2_1 C2_1 C1_1 112.9(2) . . ?
F3_1 C2_1 C1_1 110.1(2) . . ?
F1_1 C2_1 C1_1 110.4(2) . . ?
F5_1 C3_1 F4_1 108.5(2) . . ?
F5_1 C3_1 F6_1 108.0(3) . . ?
F4_1 C3_1 F6_1 108.0(2) . . ?
F5_1 C3_1 C1_1 110.4(2) . . ?
F4_1 C3_1 C1_1 110.6(2) . . ?
F6_1 C3_1 C1_1 111.3(2) . . ?
F7_1 C4_1 F9_1 107.3(2) . . ?
F7_1 C4_1 F8_1 107.8(2) . . ?
F9_1 C4_1 F8_1 106.1(2) . . ?
F7_1 C4_1 C1_1 112.2(2) . . ?
F9_1 C4_1 C1_1 110.4(2) . . ?
F8_1 C4_1 C1_1 112.7(2) . . ?
C1_8 O1_8 Al1 152(2) . . ?
O1_8 C1_8 C4_8 109.0(18) . . ?
O1_8 C1_8 C3_8 109.0(18) . . ?
C4_8 C1_8 C3_8 109.9(13) . . ?
O1_8 C1_8 C2_8 108.9(19) . . ?
C4_8 C1_8 C2_8 110.1(13) . . ?
C3_8 C1_8 C2_8 109.9(13) . . ?
F3_8 C2_8 F2_8 103.8(12) . . ?
F3_8 C2_8 F1_8 108.3(17) . . ?
F2_8 C2_8 F1_8 112.4(17) . . ?
F3_8 C2_8 C1_8 113.4(11) . . ?
F2_8 C2_8 C1_8 112.4(13) . . ?
F1_8 C2_8 C1_8 107(2) . . ?
F4_8 C3_8 F6_8 107.0(16) . . ?
F4_8 C3_8 F5_8 112.4(17) . . ?
F6_8 C3_8 F5_8 105.0(18) . . ?
F4_8 C3_8 C1_8 112.6(11) . . ?
F6_8 C3_8 C1_8 112(2) . . ?
F5_8 C3_8 C1_8 108(2) . . ?
F9_8 C4_8 F7_8 104.9(15) . . ?
F9_8 C4_8 F8_8 106.4(11) . . ?
F7_8 C4_8 F8_8 109.1(14) . . ?
F9_8 C4_8 C1_8 111.6(10) . . ?
F7_8 C4_8 C1_8 114.0(17) . . ?
F8_8 C4_8 C1_8 110.4(14) . . ?
C1_9 O1_9 Al2 153(2) . . ?
O1_9 C1_9 C4_9 110.6(19) . . ?
O1_9 C1_9 C2_9 107.9(17) . . ?
C4_9 C1_9 C2_9 110.5(13) . . ?
O1_9 C1_9 C3_9 108.0(18) . . ?
C4_9 C1_9 C3_9 108.5(13) . . ?
C2_9 C1_9 C3_9 111.3(13) . . ?
F3_9 C2_9 F2_9 111.0(18) . . ?
F3_9 C2_9 F1_9 108.1(16) . . ?
F2_9 C2_9 F1_9 108.6(13) . . ?
F3_9 C2_9 C1_9 108(2) . . ?
F2_9 C2_9 C1_9 111.4(15) . . ?
F1_9 C2_9 C1_9 109.4(11) . . ?
F5_9 C3_9 F4_9 107.2(15) . . ?
F5_9 C3_9 F6_9 110.6(12) . . ?
F4_9 C3_9 F6_9 108.8(17) . . ?
F5_9 C3_9 C1_9 107.9(12) . . ?
F4_9 C3_9 C1_9 112(2) . . ?
F6_9 C3_9 C1_9 109.9(13) . . ?
F8_9 C4_9 F9_9 105.5(14) . . ?
F8_9 C4_9 F7_9 108.4(13) . . ?
F9_9 C4_9 F7_9 104.5(15) . . ?
F8_9 C4_9 C1_9 112.2(15) . . ?
F9_9 C4_9 C1_9 114.6(17) . . ?
F7_9 C4_9 C1_9 111.1(12) . . ?
C1_2 O1_2 Al1 147.2(6) . . ?
O1_2 C1_2 C4_2 109.6(5) . . ?
O1_2 C1_2 C2_2 107.4(5) . . ?
C4_2 C1_2 C2_2 109.7(4) . . ?
O1_2 C1_2 C3_2 111.1(5) . . ?
C4_2 C1_2 C3_2 109.5(4) . . ?
C2_2 C1_2 C3_2 109.5(4) . . ?
F3_2 C2_2 F2_2 108.1(4) . . ?
F3_2 C2_2 F1_2 107.2(4) . . ?
F2_2 C2_2 F1_2 107.7(3) . . ?
F3_2 C2_2 C1_2 111.3(4) . . ?
F2_2 C2_2 C1_2 112.6(4) . . ?
F1_2 C2_2 C1_2 109.7(3) . . ?
F6_2 C3_2 F5_2 108.3(4) . . ?
F6_2 C3_2 F4_2 108.1(6) . . ?
F5_2 C3_2 F4_2 108.5(4) . . ?
F6_2 C3_2 C1_2 112.7(5) . . ?
F5_2 C3_2 C1_2 110.0(3) . . ?
F4_2 C3_2 C1_2 109.2(5) . . ?
F9_2 C4_2 F8_2 108.5(4) . . ?
F9_2 C4_2 F7_2 107.8(4) . . ?
F8_2 C4_2 F7_2 108.0(3) . . ?
F9_2 C4_2 C1_2 110.7(4) . . ?
F8_2 C4_2 C1_2 112.5(4) . . ?
F7_2 C4_2 C1_2 109.1(3) . . ?
C1_3 O1_3 Al1 144.4(6) . . ?
O1_3 C1_3 C2_3 107.7(5) . . ?
O1_3 C1_3 C4_3 110.6(5) . . ?
C2_3 C1_3 C4_3 110.0(4) . . ?
O1_3 C1_3 C3_3 111.0(5) . . ?
C2_3 C1_3 C3_3 108.5(4) . . ?
C4_3 C1_3 C3_3 109.0(4) . . ?
F3_3 C2_3 F1_3 108.1(4) . . ?
F3_3 C2_3 F2_3 108.4(4) . . ?
F1_3 C2_3 F2_3 106.0(4) . . ?
F3_3 C2_3 C1_3 111.9(4) . . ?
F1_3 C2_3 C1_3 110.8(4) . . ?
F2_3 C2_3 C1_3 111.4(5) . . ?
F5_3 C3_3 F4_3 107.4(3) . . ?
F5_3 C3_3 F6_3 107.3(4) . . ?
F4_3 C3_3 F6_3 107.5(3) . . ?
F5_3 C3_3 C1_3 111.9(4) . . ?
F4_3 C3_3 C1_3 109.7(4) . . ?
F6_3 C3_3 C1_3 112.8(4) . . ?
F9_3 C4_3 F7_3 108.4(4) . . ?
F9_3 C4_3 F8_3 106.7(4) . . ?
F7_3 C4_3 F8_3 107.0(4) . . ?
F9_3 C4_3 C1_3 111.2(4) . . ?
F7_3 C4_3 C1_3 110.7(4) . . ?
F8_3 C4_3 C1_3 112.6(5) . . ?
C1_4 O1_4 Al2 144.05(17) . . ?
O1_4 C1_4 C2_4 111.4(2) . . ?
O1_4 C1_4 C3_4 107.5(2) . . ?
C2_4 C1_4 C3_4 109.0(2) . . ?
O1_4 C1_4 C4_4 110.0(2) . . ?
C2_4 C1_4 C4_4 109.4(2) . . ?
C3_4 C1_4 C4_4 109.5(2) . . ?
F3_4 C2_4 F1_4 107.3(2) . . ?
F3_4 C2_4 F2_4 107.5(2) . . ?
F1_4 C2_4 F2_4 107.3(2) . . ?
F3_4 C2_4 C1_4 112.0(2) . . ?
F1_4 C2_4 C1_4 109.9(2) . . ?
F2_4 C2_4 C1_4 112.6(2) . . ?
F5_4 C3_4 F4_4 108.0(2) . . ?
F5_4 C3_4 F6_4 107.3(2) . . ?
F4_4 C3_4 F6_4 107.1(2) . . ?
F5_4 C3_4 C1_4 111.7(2) . . ?
F4_4 C3_4 C1_4 111.4(2) . . ?
F6_4 C3_4 C1_4 111.1(2) . . ?
F7_4 C4_4 F9_4 108.8(2) . . ?
F7_4 C4_4 F8_4 107.3(2) . . ?
F9_4 C4_4 F8_4 107.0(2) . . ?
F7_4 C4_4 C1_4 111.5(2) . . ?
F9_4 C4_4 C1_4 110.6(2) . . ?
F8_4 C4_4 C1_4 111.4(2) . . ?
C1_5 O1_5 Al2 150.11(16) . . ?
O1_5 C1_5 C2_5 110.0(2) . . ?
O1_5 C1_5 C4_5 111.0(2) . . ?
C2_5 C1_5 C4_5 109.0(2) . . ?
O1_5 C1_5 C3_5 108.3(2) . . ?
C2_5 C1_5 C3_5 108.9(2) . . ?
C4_5 C1_5 C3_5 109.7(2) . . ?
F3_5 C2_5 F2_5 108.2(2) . . ?
F3_5 C2_5 F1_5 107.2(2) . . ?
F2_5 C2_5 F1_5 105.9(2) . . ?
F3_5 C2_5 C1_5 112.0(2) . . ?
F2_5 C2_5 C1_5 112.9(2) . . ?
F1_5 C2_5 C1_5 110.4(2) . . ?
F5_5 C3_5 F4_5 108.1(2) . . ?
F5_5 C3_5 F6_5 108.3(2) . . ?
F4_5 C3_5 F6_5 108.1(2) . . ?
F5_5 C3_5 C1_5 110.7(2) . . ?
F4_5 C3_5 C1_5 109.9(2) . . ?
F6_5 C3_5 C1_5 111.6(2) . . ?
F7_5 C4_5 F8_5 109.2(2) . . ?
F7_5 C4_5 F9_5 106.5(2) . . ?
F8_5 C4_5 F9_5 106.5(2) . . ?
F7_5 C4_5 C1_5 110.7(2) . . ?
F8_5 C4_5 C1_5 112.9(2) . . ?
F9_5 C4_5 C1_5 110.8(2) . . ?
C1_6 O1_6 Al2 149.6(6) . . ?
O1_6 C1_6 C2_6 107.3(4) . . ?
O1_6 C1_6 C3_6 110.1(5) . . ?
C2_6 C1_6 C3_6 110.5(3) . . ?
O1_6 C1_6 C4_6 111.1(5) . . ?
C2_6 C1_6 C4_6 108.6(3) . . ?
C3_6 C1_6 C4_6 109.3(4) . . ?
F1_6 C2_6 F2_6 108.7(5) . . ?
F1_6 C2_6 F3_6 105.3(4) . . ?
F2_6 C2_6 F3_6 107.2(3) . . ?
F1_6 C2_6 C1_6 111.1(4) . . ?
F2_6 C2_6 C1_6 113.8(3) . . ?
F3_6 C2_6 C1_6 110.4(3) . . ?
F4_6 C3_6 F5_6 106.6(3) . . ?
F4_6 C3_6 F6_6 108.8(3) . . ?
F5_6 C3_6 F6_6 108.6(4) . . ?
F4_6 C3_6 C1_6 110.4(3) . . ?
F5_6 C3_6 C1_6 109.5(4) . . ?
F6_6 C3_6 C1_6 112.8(3) . . ?
F7_6 C4_6 F9_6 106.8(4) . . ?
F7_6 C4_6 F8_6 108.1(5) . . ?
F9_6 C4_6 F8_6 107.3(3) . . ?
F7_6 C4_6 C1_6 110.9(5) . . ?
F9_6 C4_6 C1_6 111.9(3) . . ?
F8_6 C4_6 C1_6 111.6(4) . . ?
C1_7 O1_7 Al1 149(3) . . ?
O1_7 C1_7 C3_7 108.4(18) . . ?
O1_7 C1_7 C2_7 110(2) . . ?
C3_7 C1_7 C2_7 108.6(15) . . ?
O1_7 C1_7 C4_7 112(2) . . ?
C3_7 C1_7 C4_7 109.3(15) . . ?
C2_7 C1_7 C4_7 108.6(15) . . ?
F1_7 C2_7 F3_7 108.9(13) . . ?
F1_7 C2_7 F2_7 108.2(17) . . ?
F3_7 C2_7 F2_7 111.6(16) . . ?
F1_7 C2_7 C1_7 110.1(15) . . ?
F3_7 C2_7 C1_7 109.7(13) . . ?
F2_7 C2_7 C1_7 108(2) . . ?
F5_7 C3_7 F4_7 108.4(13) . . ?
F5_7 C3_7 F6_7 107.1(14) . . ?
F4_7 C3_7 F6_7 111.4(14) . . ?
F5_7 C3_7 C1_7 110.8(14) . . ?
F4_7 C3_7 C1_7 108.4(13) . . ?
F6_7 C3_7 C1_7 110.7(17) . . ?
F7_7 C4_7 F8_7 105.6(14) . . ?
F7_7 C4_7 F9_7 108.4(12) . . ?
F8_7 C4_7 F9_7 109.1(13) . . ?
F7_7 C4_7 C1_7 110.7(14) . . ?
F8_7 C4_7 C1_7 111.8(16) . . ?
F9_7 C4_7 C1_7 111.1(13) . . ?
O1_7 Al1 O1_1 108.9(15) . . ?
O1_2 Al1 O1_1 111.0(3) . . ?
O1_7 Al1 O1_8 118(2) . . ?
O1_1 Al1 O1_8 113.8(12) . . ?
O1_2 Al1 O1_3 117.7(5) . . ?
O1_1 Al1 O1_3 111.8(4) . . ?
O1_7 Al1 F1 104.0(13) . . ?
O1_2 Al1 F1 106.8(3) . . ?
O1_1 Al1 F1 106.46(8) . . ?
O1_8 Al1 F1 104.2(13) . . ?
O1_3 Al1 F1 102.0(3) . . ?
O1_6 Al2 O1_5 111.0(3) . . ?
O1_9 Al2 O1_5 116.0(12) . . ?
O1_6 Al2 O1_4 117.4(3) . . ?
O1_9 Al2 O1_4 112.6(13) . . ?
O1_5 Al2 O1_4 111.91(9) . . ?
O1_6 Al2 F1 107.2(3) . . ?
O1_9 Al2 F1 106.7(12) . . ?
O1_5 Al2 F1 106.30(8) . . ?
O1_4 Al2 F1 101.97(8) . . ?
Al2 F1 Al1 177.01(10) . . ?

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 O1_1 C1_1 C4_1 -77.8(4) . . . . ?
Al1 O1_1 C1_1 C2_1 42.8(4) . . . . ?
Al1 O1_1 C1_1 C3_1 163.5(3) . . . . ?
O1_1 C1_1 C2_1 F2_1 159.7(2) . . . . ?
C4_1 C1_1 C2_1 F2_1 -79.5(3) . . . . ?
C3_1 C1_1 C2_1 F2_1 40.0(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 37.5(3) . . . . ?
C4_1 C1_1 C2_1 F3_1 158.4(2) . . . . ?
C3_1 C1_1 C2_1 F3_1 -82.1(3) . . . . ?
O1_1 C1_1 C2_1 F1_1 -80.7(3) . . . . ?
C4_1 C1_1 C2_1 F1_1 40.2(3) . . . . ?
C3_1 C1_1 C2_1 F1_1 159.7(2) . . . . ?
O1_1 C1_1 C3_1 F5_1 -77.6(3) . . . . ?
C4_1 C1_1 C3_1 F5_1 163.3(2) . . . . ?
C2_1 C1_1 C3_1 F5_1 43.8(3) . . . . ?
O1_1 C1_1 C3_1 F4_1 42.5(3) . . . . ?
C4_1 C1_1 C3_1 F4_1 -76.6(3) . . . . ?
C2_1 C1_1 C3_1 F4_1 163.8(2) . . . . ?
O1_1 C1_1 C3_1 F6_1 162.6(2) . . . . ?
C4_1 C1_1 C3_1 F6_1 43.5(3) . . . . ?
C2_1 C1_1 C3_1 F6_1 -76.1(3) . . . . ?
O1_1 C1_1 C4_1 F7_1 -73.0(3) . . . . ?
C2_1 C1_1 C4_1 F7_1 165.3(2) . . . . ?
C3_1 C1_1 C4_1 F7_1 45.1(3) . . . . ?
O1_1 C1_1 C4_1 F9_1 46.6(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 -75.1(3) . . . . ?
C3_1 C1_1 C4_1 F9_1 164.8(2) . . . . ?
O1_1 C1_1 C4_1 F8_1 165.0(2) . . . . ?
C2_1 C1_1 C4_1 F8_1 43.3(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 -76.8(3) . . . . ?
Al1 O1_8 C1_8 C4_8 132(6) . . . . ?
Al1 O1_8 C1_8 C3_8 12(7) . . . . ?
Al1 O1_8 C1_8 C2_8 -108(6) . . . . ?
O1_8 C1_8 C2_8 F3_8 76.7(19) . . . . ?
C4_8 C1_8 C2_8 F3_8 -163.9(13) . . . . ?
C3_8 C1_8 C2_8 F3_8 -43(2) . . . . ?
O1_8 C1_8 C2_8 F2_8 -165.9(18) . . . . ?
C4_8 C1_8 C2_8 F2_8 -46.5(19) . . . . ?
C3_8 C1_8 C2_8 F2_8 74.7(17) . . . . ?
O1_8 C1_8 C2_8 F1_8 -42(2) . . . . ?
C4_8 C1_8 C2_8 F1_8 77(2) . . . . ?
C3_8 C1_8 C2_8 F1_8 -161.7(19) . . . . ?
O1_8 C1_8 C3_8 F4_8 76(2) . . . . ?
C4_8 C1_8 C3_8 F4_8 -43.4(19) . . . . ?
C2_8 C1_8 C3_8 F4_8 -164.8(13) . . . . ?
O1_8 C1_8 C3_8 F6_8 -163(2) . . . . ?
C4_8 C1_8 C3_8 F6_8 77(2) . . . . ?
C2_8 C1_8 C3_8 F6_8 -44(2) . . . . ?
O1_8 C1_8 C3_8 F5_8 -49(3) . . . . ?
C4_8 C1_8 C3_8 F5_8 -168(2) . . . . ?
C2_8 C1_8 C3_8 F5_8 71(2) . . . . ?
O1_8 C1_8 C4_8 F9_8 76.0(19) . . . . ?
C3_8 C1_8 C4_8 F9_8 -164.6(12) . . . . ?
C2_8 C1_8 C4_8 F9_8 -43.4(19) . . . . ?
O1_8 C1_8 C4_8 F7_8 -43(2) . . . . ?
C3_8 C1_8 C4_8 F7_8 77(2) . . . . ?
C2_8 C1_8 C4_8 F7_8 -161.9(17) . . . . ?
O1_8 C1_8 C4_8 F8_8 -165.8(18) . . . . ?
C3_8 C1_8 C4_8 F8_8 -46.4(17) . . . . ?
C2_8 C1_8 C4_8 F8_8 74.8(16) . . . . ?
Al2 O1_9 C1_9 C4_9 -100(6) . . . . ?
Al2 O1_9 C1_9 C2_9 21(7) . . . . ?
Al2 O1_9 C1_9 C3_9 142(6) . . . . ?
O1_9 C1_9 C2_9 F3_9 37(2) . . . . ?
C4_9 C1_9 C2_9 F3_9 158.2(19) . . . . ?
C3_9 C1_9 C2_9 F3_9 -81(2) . . . . ?
O1_9 C1_9 C2_9 F2_9 159(2) . . . . ?
C4_9 C1_9 C2_9 F2_9 -79.5(19) . . . . ?
C3_9 C1_9 C2_9 F2_9 41(2) . . . . ?
O1_9 C1_9 C2_9 F1_9 -80(2) . . . . ?
C4_9 C1_9 C2_9 F1_9 40.6(18) . . . . ?
C3_9 C1_9 C2_9 F1_9 161.3(13) . . . . ?
O1_9 C1_9 C3_9 F5_9 -76(2) . . . . ?
C4_9 C1_9 C3_9 F5_9 163.6(13) . . . . ?
C2_9 C1_9 C3_9 F5_9 41.8(19) . . . . ?
O1_9 C1_9 C3_9 F4_9 41(2) . . . . ?
C4_9 C1_9 C3_9 F4_9 -78(2) . . . . ?
C2_9 C1_9 C3_9 F4_9 159.7(19) . . . . ?
O1_9 C1_9 C3_9 F6_9 162.8(18) . . . . ?
C4_9 C1_9 C3_9 F6_9 42.9(18) . . . . ?
C2_9 C1_9 C3_9 F6_9 -79.0(16) . . . . ?
O1_9 C1_9 C4_9 F8_9 163.5(18) . . . . ?
C2_9 C1_9 C4_9 F8_9 44.1(18) . . . . ?
C3_9 C1_9 C4_9 F8_9 -78.3(17) . . . . ?
O1_9 C1_9 C4_9 F9_9 43(2) . . . . ?
C2_9 C1_9 C4_9 F9_9 -76(2) . . . . ?
C3_9 C1_9 C4_9 F9_9 161.4(17) . . . . ?
O1_9 C1_9 C4_9 F7_9 -75(2) . . . . ?
C2_9 C1_9 C4_9 F7_9 165.5(14) . . . . ?
C3_9 C1_9 C4_9 F7_9 43.2(19) . . . . ?
Al1 O1_2 C1_2 C4_2 81.1(13) . . . . ?
Al1 O1_2 C1_2 C2_2 -159.8(11) . . . . ?
Al1 O1_2 C1_2 C3_2 -40.1(14) . . . . ?
O1_2 C1_2 C2_2 F3_2 45.3(6) . . . . ?
C4_2 C1_2 C2_2 F3_2 164.4(5) . . . . ?
C3_2 C1_2 C2_2 F3_2 -75.4(6) . . . . ?
O1_2 C1_2 C2_2 F2_2 166.8(5) . . . . ?
C4_2 C1_2 C2_2 F2_2 -74.1(5) . . . . ?
C3_2 C1_2 C2_2 F2_2 46.1(5) . . . . ?
O1_2 C1_2 C2_2 F1_2 -73.2(5) . . . . ?
C4_2 C1_2 C2_2 F1_2 45.9(5) . . . . ?
C3_2 C1_2 C2_2 F1_2 166.0(3) . . . . ?
O1_2 C1_2 C3_2 F6_2 162.7(6) . . . . ?
C4_2 C1_2 C3_2 F6_2 41.5(6) . . . . ?
C2_2 C1_2 C3_2 F6_2 -78.8(6) . . . . ?
O1_2 C1_2 C3_2 F5_2 -76.3(5) . . . . ?
C4_2 C1_2 C3_2 F5_2 162.5(3) . . . . ?
C2_2 C1_2 C3_2 F5_2 42.2(5) . . . . ?
O1_2 C1_2 C3_2 F4_2 42.6(6) . . . . ?
C4_2 C1_2 C3_2 F4_2 -78.6(6) . . . . ?
C2_2 C1_2 C3_2 F4_2 161.1(5) . . . . ?
O1_2 C1_2 C4_2 F9_2 38.2(6) . . . . ?
C2_2 C1_2 C4_2 F9_2 -79.5(5) . . . . ?
C3_2 C1_2 C4_2 F9_2 160.3(4) . . . . ?
O1_2 C1_2 C4_2 F8_2 159.8(5) . . . . ?
C2_2 C1_2 C4_2 F8_2 42.1(5) . . . . ?
C3_2 C1_2 C4_2 F8_2 -78.1(5) . . . . ?
O1_2 C1_2 C4_2 F7_2 -80.3(5) . . . . ?
C2_2 C1_2 C4_2 F7_2 162.0(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 41.8(5) . . . . ?
Al1 O1_3 C1_3 C2_3 -159.0(11) . . . . ?
Al1 O1_3 C1_3 C4_3 80.8(13) . . . . ?
Al1 O1_3 C1_3 C3_3 -40.3(14) . . . . ?
O1_3 C1_3 C2_3 F3_3 44.4(6) . . . . ?
C4_3 C1_3 C2_3 F3_3 164.9(4) . . . . ?
C3_3 C1_3 C2_3 F3_3 -75.9(6) . . . . ?
O1_3 C1_3 C2_3 F1_3 -76.3(6) . . . . ?
C4_3 C1_3 C2_3 F1_3 44.2(6) . . . . ?
C3_3 C1_3 C2_3 F1_3 163.4(4) . . . . ?
O1_3 C1_3 C2_3 F2_3 165.9(5) . . . . ?
C4_3 C1_3 C2_3 F2_3 -73.6(5) . . . . ?
C3_3 C1_3 C2_3 F2_3 45.6(6) . . . . ?
O1_3 C1_3 C3_3 F5_3 -76.0(6) . . . . ?
C2_3 C1_3 C3_3 F5_3 42.2(6) . . . . ?
C4_3 C1_3 C3_3 F5_3 162.0(4) . . . . ?
O1_3 C1_3 C3_3 F4_3 43.1(6) . . . . ?
C2_3 C1_3 C3_3 F4_3 161.3(4) . . . . ?
C4_3 C1_3 C3_3 F4_3 -78.9(5) . . . . ?
O1_3 C1_3 C3_3 F6_3 162.9(5) . . . . ?
C2_3 C1_3 C3_3 F6_3 -78.9(5) . . . . ?
C4_3 C1_3 C3_3 F6_3 40.9(6) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.6(6) . . . . ?
C2_3 C1_3 C4_3 F9_3 -74.2(6) . . . . ?
C3_3 C1_3 C4_3 F9_3 166.9(4) . . . . ?
O1_3 C1_3 C4_3 F7_3 -76.0(5) . . . . ?
C2_3 C1_3 C4_3 F7_3 165.2(4) . . . . ?
C3_3 C1_3 C4_3 F7_3 46.3(6) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.2(5) . . . . ?
C2_3 C1_3 C4_3 F8_3 45.4(6) . . . . ?
C3_3 C1_3 C4_3 F8_3 -73.5(5) . . . . ?
Al2 O1_4 C1_4 C2_4 35.1(4) . . . . ?
Al2 O1_4 C1_4 C3_4 154.4(2) . . . . ?
Al2 O1_4 C1_4 C4_4 -86.4(3) . . . . ?
O1_4 C1_4 C2_4 F3_4 74.7(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -43.7(3) . . . . ?
C4_4 C1_4 C2_4 F3_4 -163.4(2) . . . . ?
O1_4 C1_4 C2_4 F1_4 -44.5(3) . . . . ?
C3_4 C1_4 C2_4 F1_4 -162.9(2) . . . . ?
C4_4 C1_4 C2_4 F1_4 77.4(3) . . . . ?
O1_4 C1_4 C2_4 F2_4 -164.0(2) . . . . ?
C3_4 C1_4 C2_4 F2_4 77.6(3) . . . . ?
C4_4 C1_4 C2_4 F2_4 -42.1(3) . . . . ?
O1_4 C1_4 C3_4 F5_4 -47.5(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 73.4(3) . . . . ?
C4_4 C1_4 C3_4 F5_4 -167.0(2) . . . . ?
O1_4 C1_4 C3_4 F4_4 73.4(3) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.7(2) . . . . ?
C4_4 C1_4 C3_4 F4_4 -46.1(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 -167.3(2) . . . . ?
C2_4 C1_4 C3_4 F6_4 -46.4(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 73.2(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -45.3(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 -168.0(2) . . . . ?
C3_4 C1_4 C4_4 F7_4 72.6(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 75.9(3) . . . . ?
C2_4 C1_4 C4_4 F9_4 -46.9(3) . . . . ?
C3_4 C1_4 C4_4 F9_4 -166.2(2) . . . . ?
O1_4 C1_4 C4_4 F8_4 -165.2(2) . . . . ?
C2_4 C1_4 C4_4 F8_4 72.1(3) . . . . ?
C3_4 C1_4 C4_4 F8_4 -47.3(3) . . . . ?
Al2 O1_5 C1_5 C2_5 67.3(4) . . . . ?
Al2 O1_5 C1_5 C4_5 -53.3(4) . . . . ?
Al2 O1_5 C1_5 C3_5 -173.7(3) . . . . ?
O1_5 C1_5 C2_5 F3_5 72.0(3) . . . . ?
C4_5 C1_5 C2_5 F3_5 -166.2(2) . . . . ?
C3_5 C1_5 C2_5 F3_5 -46.6(3) . . . . ?
O1_5 C1_5 C2_5 F2_5 -165.7(2) . . . . ?
C4_5 C1_5 C2_5 F2_5 -43.8(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 75.8(3) . . . . ?
O1_5 C1_5 C2_5 F1_5 -47.4(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 74.5(3) . . . . ?
C3_5 C1_5 C2_5 F1_5 -165.9(2) . . . . ?
O1_5 C1_5 C3_5 F5_5 -42.5(3) . . . . ?
C2_5 C1_5 C3_5 F5_5 77.1(3) . . . . ?
C4_5 C1_5 C3_5 F5_5 -163.7(2) . . . . ?
O1_5 C1_5 C3_5 F4_5 76.9(3) . . . . ?
C2_5 C1_5 C3_5 F4_5 -163.5(2) . . . . ?
C4_5 C1_5 C3_5 F4_5 -44.3(3) . . . . ?
O1_5 C1_5 C3_5 F6_5 -163.2(2) . . . . ?
C2_5 C1_5 C3_5 F6_5 -43.6(3) . . . . ?
C4_5 C1_5 C3_5 F6_5 75.6(3) . . . . ?
O1_5 C1_5 C4_5 F7_5 -38.3(3) . . . . ?
C2_5 C1_5 C4_5 F7_5 -159.6(2) . . . . ?
C3_5 C1_5 C4_5 F7_5 81.2(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 -161.1(2) . . . . ?
C2_5 C1_5 C4_5 F8_5 77.6(3) . . . . ?
C3_5 C1_5 C4_5 F8_5 -41.5(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 79.6(3) . . . . ?
C2_5 C1_5 C4_5 F9_5 -41.7(3) . . . . ?
C3_5 C1_5 C4_5 F9_5 -160.8(2) . . . . ?
Al2 O1_6 C1_6 C2_6 179.4(11) . . . . ?
Al2 O1_6 C1_6 C3_6 -60.3(13) . . . . ?
Al2 O1_6 C1_6 C4_6 60.8(14) . . . . ?
O1_6 C1_6 C2_6 F1_6 -44.1(6) . . . . ?
C3_6 C1_6 C2_6 F1_6 -164.2(5) . . . . ?
C4_6 C1_6 C2_6 F1_6 76.0(5) . . . . ?
O1_6 C1_6 C2_6 F2_6 -167.1(5) . . . . ?
C3_6 C1_6 C2_6 F2_6 72.9(4) . . . . ?
C4_6 C1_6 C2_6 F2_6 -47.0(4) . . . . ?
O1_6 C1_6 C2_6 F3_6 72.3(5) . . . . ?
C3_6 C1_6 C2_6 F3_6 -47.7(5) . . . . ?
C4_6 C1_6 C2_6 F3_6 -167.6(3) . . . . ?
O1_6 C1_6 C3_6 F4_6 78.9(5) . . . . ?
C2_6 C1_6 C3_6 F4_6 -162.8(3) . . . . ?
C4_6 C1_6 C3_6 F4_6 -43.3(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 -38.2(6) . . . . ?
C2_6 C1_6 C3_6 F5_6 80.2(5) . . . . ?
C4_6 C1_6 C3_6 F5_6 -160.4(4) . . . . ?
O1_6 C1_6 C3_6 F6_6 -159.2(5) . . . . ?
C2_6 C1_6 C3_6 F6_6 -40.9(5) . . . . ?
C4_6 C1_6 C3_6 F6_6 78.6(4) . . . . ?
O1_6 C1_6 C4_6 F7_6 -41.0(6) . . . . ?
C2_6 C1_6 C4_6 F7_6 -158.9(5) . . . . ?
C3_6 C1_6 C4_6 F7_6 80.6(5) . . . . ?
O1_6 C1_6 C4_6 F9_6 78.1(5) . . . . ?
C2_6 C1_6 C4_6 F9_6 -39.7(5) . . . . ?
C3_6 C1_6 C4_6 F9_6 -160.3(3) . . . . ?
O1_6 C1_6 C4_6 F8_6 -161.7(5) . . . . ?
C2_6 C1_6 C4_6 F8_6 80.5(4) . . . . ?
C3_6 C1_6 C4_6 F8_6 -40.1(5) . . . . ?
Al1 O1_7 C1_7 C3_7 -147(6) . . . . ?
Al1 O1_7 C1_7 C2_7 95(6) . . . . ?
Al1 O1_7 C1_7 C4_7 -26(7) . . . . ?
O1_7 C1_7 C2_7 F1_7 -46(2) . . . . ?
C3_7 C1_7 C2_7 F1_7 -164.1(16) . . . . ?
C4_7 C1_7 C2_7 F1_7 77(2) . . . . ?
O1_7 C1_7 C2_7 F3_7 74(2) . . . . ?
C3_7 C1_7 C2_7 F3_7 -44(2) . . . . ?
C4_7 C1_7 C2_7 F3_7 -163.0(15) . . . . ?
O1_7 C1_7 C2_7 F2_7 -164(2) . . . . ?
C3_7 C1_7 C2_7 F2_7 78(2) . . . . ?
C4_7 C1_7 C2_7 F2_7 -41(2) . . . . ?
O1_7 C1_7 C3_7 F5_7 -43(2) . . . . ?
C2_7 C1_7 C3_7 F5_7 76.0(19) . . . . ?
C4_7 C1_7 C3_7 F5_7 -165.7(15) . . . . ?
O1_7 C1_7 C3_7 F4_7 76(2) . . . . ?
C2_7 C1_7 C3_7 F4_7 -165.1(15) . . . . ?
C4_7 C1_7 C3_7 F4_7 -47(2) . . . . ?
O1_7 C1_7 C3_7 F6_7 -162(2) . . . . ?
C2_7 C1_7 C3_7 F6_7 -43(2) . . . . ?
C4_7 C1_7 C3_7 F6_7 75.6(19) . . . . ?
O1_7 C1_7 C4_7 F7_7 -42(2) . . . . ?
C3_7 C1_7 C4_7 F7_7 78(2) . . . . ?
C2_7 C1_7 C4_7 F7_7 -163.3(16) . . . . ?
O1_7 C1_7 C4_7 F8_7 -159(2) . . . . ?
C3_7 C1_7 C4_7 F8_7 -39(2) . . . . ?
C2_7 C1_7 C4_7 F8_7 79.3(18) . . . . ?
O1_7 C1_7 C4_7 F9_7 79(2) . . . . ?
C3_7 C1_7 C4_7 F9_7 -161.1(15) . . . . ?
C2_7 C1_7 C4_7 F9_7 -43(2) . . . . ?
C1_7 O1_7 Al1 O1_1 -55(6) . . . . ?
C1_7 O1_7 Al1 O1_8 77(6) . . . . ?
C1_7 O1_7 Al1 F1 -168(6) . . . . ?
C1_2 O1_2 Al1 O1_1 -161.6(12) . . . . ?
C1_2 O1_2 Al1 O1_3 67.9(14) . . . . ?
C1_2 O1_2 Al1 F1 -45.9(14) . . . . ?
C1_1 O1_1 Al1 O1_7 146.7(15) . . . . ?
C1_1 O1_1 Al1 O1_2 14.2(5) . . . . ?
C1_1 O1_1 Al1 O1_8 12.5(15) . . . . ?
C1_1 O1_1 Al1 O1_3 147.7(5) . . . . ?
C1_1 O1_1 Al1 F1 -101.7(3) . . . . ?
C1_8 O1_8 Al1 O1_7 59(7) . . . . ?
C1_8 O1_8 Al1 O1_1 -172(5) . . . . ?
C1_8 O1_8 Al1 F1 -56(6) . . . . ?
C1_3 O1_3 Al1 O1_2 76.8(13) . . . . ?
C1_3 O1_3 Al1 O1_1 -53.4(13) . . . . ?
C1_3 O1_3 Al1 F1 -166.8(12) . . . . ?
C1_6 O1_6 Al2 O1_5 146.8(12) . . . . ?
C1_6 O1_6 Al2 O1_4 -82.8(13) . . . . ?
C1_6 O1_6 Al2 F1 31.1(13) . . . . ?
C1_9 O1_9 Al2 O1_5 144(6) . . . . ?
C1_9 O1_9 Al2 O1_4 -85(6) . . . . ?
C1_9 O1_9 Al2 F1 26(7) . . . . ?
C1_5 O1_5 Al2 O1_6 -7.9(5) . . . . ?
C1_5 O1_5 Al2 O1_9 -10.1(15) . . . . ?
C1_5 O1_5 Al2 O1_4 -141.1(3) . . . . ?
C1_5 O1_5 Al2 F1 108.4(3) . . . . ?
C1_4 O1_4 Al2 O1_6 -68.7(4) . . . . ?
C1_4 O1_4 Al2 O1_9 -71.5(13) . . . . ?
C1_4 O1_4 Al2 O1_5 61.2(3) . . . . ?
C1_4 O1_4 Al2 F1 174.5(3) . . . . ?

_refine_diff_density_max         0.449
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.078


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: SO2'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cc_a
_database_code_depnum_ccdc_archive 'CCDC 1845812'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 Al2 F55 O6, C12 H8 Ag F4'
_chemical_formula_sum            'C36 H8 Ag Al2 F59 O6'
_chemical_formula_weight         1819.46

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'
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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   13.1028(12)
_cell_length_b                   29.390(3)
_cell_length_c                   14.1290(12)
_cell_angle_alpha                90
_cell_angle_beta                 99.674(4)
_cell_angle_gamma                90
_cell_volume                     5363.6(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9996
_cell_measurement_theta_min      5.219
_cell_measurement_theta_max      58.670

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.253
_exptl_crystal_F_000             3504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.662
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7057
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60147
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.722
_diffrn_reflns_theta_max         29.599
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14011
_reflns_number_gt                11027
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.997
_reflns_Friedel_fraction_max     0.987
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.37A'
_computing_data_reduction        'SAINT V8.37A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1378P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.47(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         14011
_refine_ls_number_parameters     1510
_refine_ls_number_restraints     19238
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1793
_refine_ls_wR_factor_gt          0.1652
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      0.972
_refine_ls_shift/su_max          0.105
_refine_ls_shift/su_mean         0.008

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
O1_11 O 0.6506(6) 0.5721(3) 0.4562(6) 0.0354(12) Uani 0.476(7) 1 d D U P A 2
C1_11 C 0.7178(10) 0.5424(4) 0.5060(10) 0.0304(14) Uani 0.476(7) 1 d D U P A 2
C2_11 C 0.6908(9) 0.4945(4) 0.4604(10) 0.0328(18) Uani 0.476(7) 1 d D U P A 2
F1_11 F 0.5907(6) 0.4871(3) 0.4485(6) 0.0474(19) Uani 0.476(7) 1 d D U P A 2
F2_11 F 0.7367(9) 0.4608(3) 0.5129(8) 0.051(2) Uani 0.476(7) 1 d D U P A 2
F3_11 F 0.7198(17) 0.4925(5) 0.3751(12) 0.046(3) Uani 0.476(7) 1 d D U P A 2
C3_11 C 0.8325(12) 0.5533(6) 0.5048(14) 0.045(4) Uani 0.476(7) 1 d D U P A 2
F4_11 F 0.8657(10) 0.5881(4) 0.5634(11) 0.058(3) Uani 0.476(7) 1 d D U P A 2
F5_11 F 0.8608(18) 0.5643(10) 0.4222(15) 0.054(4) Uani 0.476(7) 1 d D U P A 2
F6_11 F 0.891(2) 0.5160(7) 0.5306(16) 0.058(4) Uani 0.476(7) 1 d D U P A 2
C4_11 C 0.7051(16) 0.5456(7) 0.6137(12) 0.052(4) Uani 0.476(7) 1 d D U P A 2
F7_11 F 0.7356(14) 0.5846(6) 0.6585(16) 0.061(5) Uani 0.476(7) 1 d D U P A 2
F8_11 F 0.7621(16) 0.5156(8) 0.6675(18) 0.069(5) Uani 0.476(7) 1 d D U P A 2
F9_11 F 0.6071(11) 0.5375(5) 0.6189(12) 0.060(3) Uani 0.476(7) 1 d D U P A 2
O1_10 O 0.3414(18) 0.5818(7) 0.5338(16) 0.0312(9) Uani 0.146(5) 1 d D U P B 2
C1_10 C 0.2657(16) 0.5547(7) 0.4849(16) 0.038(5) Uani 0.146(5) 1 d D U P B 2
C2_10 C 0.2765(19) 0.5055(7) 0.5262(18) 0.052(6) Uani 0.146(5) 1 d D U P B 2
F1_10 F 0.3763(18) 0.4932(9) 0.546(2) 0.062(7) Uani 0.146(5) 1 d D U P B 2
F2_10 F 0.224(2) 0.4738(7) 0.4701(17) 0.053(6) Uani 0.146(5) 1 d D U P B 2
F3_10 F 0.234(3) 0.5050(11) 0.6057(19) 0.063(8) Uani 0.146(5) 1 d D U P B 2
C3_10 C 0.1570(17) 0.5745(8) 0.4903(18) 0.0447(15) Uani 0.146(5) 1 d D U P B 2
F4_10 F 0.1300(17) 0.6092(8) 0.4298(16) 0.046(5) Uani 0.146(5) 1 d D U P B 2
F5_10 F 0.151(2) 0.5915(11) 0.5762(17) 0.049(6) Uani 0.146(5) 1 d D U P B 2
F6_10 F 0.082(2) 0.5432(10) 0.469(2) 0.0652(14) Uani 0.146(5) 1 d D U P B 2
C4_10 C 0.2822(19) 0.5533(9) 0.3791(16) 0.040(6) Uani 0.146(5) 1 d D U P B 2
F7_10 F 0.310(2) 0.5933(8) 0.349(2) 0.036(6) Uani 0.146(5) 1 d D U P B 2
F8_10 F 0.1987(19) 0.5382(12) 0.322(2) 0.056(7) Uani 0.146(5) 1 d D U P B 2
F9_10 F 0.3585(19) 0.5256(10) 0.3650(18) 0.043(5) Uani 0.146(5) 1 d D U P B 2
O1_9 O 0.3063(17) 0.6745(6) 0.5226(16) 0.0334(9) Uani 0.160(5) 1 d D U P B 2
C1_9 C 0.2834(15) 0.7179(7) 0.4978(15) 0.0328(10) Uani 0.160(5) 1 d D U P B 2
C2_9 C 0.3470(18) 0.7515(8) 0.5685(16) 0.049(5) Uani 0.160(5) 1 d D U P B 2
F1_9 F 0.311(2) 0.7547(11) 0.6514(17) 0.053(7) Uani 0.160(5) 1 d D U P B 2
F2_9 F 0.347(2) 0.7927(7) 0.5306(18) 0.057(6) Uani 0.160(5) 1 d D U P B 2
F3_9 F 0.4430(15) 0.7352(8) 0.5949(17) 0.052(5) Uani 0.160(5) 1 d D U P B 2
C3_9 C 0.3090(19) 0.7261(9) 0.3956(17) 0.0413(13) Uani 0.160(5) 1 d D U P B 2
F4_9 F 0.277(3) 0.6925(10) 0.335(2) 0.046(8) Uani 0.160(5) 1 d D U P B 2
F5_9 F 0.4114(16) 0.7278(9) 0.4009(15) 0.045(4) Uani 0.160(5) 1 d D U P B 2
F6_9 F 0.266(3) 0.7640(8) 0.3582(18) 0.056(6) Uani 0.160(5) 1 d D U P B 2
C4_9 C 0.1661(16) 0.7264(8) 0.4959(17) 0.048(5) Uani 0.160(5) 1 d D U P B 2
F7_9 F 0.1093(17) 0.7080(9) 0.4173(16) 0.058(6) Uani 0.160(5) 1 d D U P B 2
F8_9 F 0.149(2) 0.7707(8) 0.4921(19) 0.062(6) Uani 0.160(5) 1 d D U P B 2
F9_9 F 0.1350(19) 0.7068(10) 0.5708(18) 0.060(6) Uani 0.160(5) 1 d D U P B 2
O1_8 O 0.456(3) 0.632(2) 0.6777(13) 0.0289(10) Uani 0.196(6) 1 d D U P B 2
C1_8 C 0.4474(15) 0.6269(6) 0.7714(15) 0.0290(11) Uani 0.196(6) 1 d D U P B 2
C2_8 C 0.3784(14) 0.6642(6) 0.8045(12) 0.035(4) Uani 0.196(6) 1 d D U P B 2
F1_8 F 0.4241(18) 0.7046(6) 0.8118(17) 0.055(5) Uani 0.196(6) 1 d D U P B 2
F2_8 F 0.3500(15) 0.6532(7) 0.8881(10) 0.047(4) Uani 0.196(6) 1 d D U P B 2
F3_8 F 0.2915(11) 0.6674(6) 0.7412(12) 0.039(4) Uani 0.196(6) 1 d D U P B 2
C3_8 C 0.4072(16) 0.5793(7) 0.7899(14) 0.040(4) Uani 0.196(6) 1 d D U P B 2
F4_8 F 0.4487(14) 0.5467(5) 0.7455(12) 0.043(4) Uani 0.196(6) 1 d D U P B 2
F5_8 F 0.3056(13) 0.5774(7) 0.7625(16) 0.053(5) Uani 0.196(6) 1 d D U P B 2
F6_8 F 0.4238(16) 0.5693(6) 0.8834(11) 0.051(4) Uani 0.196(6) 1 d D U P B 2
C4_8 C 0.5584(17) 0.6326(8) 0.8304(16) 0.038(5) Uani 0.196(6) 1 d D U P B 2
F7_8 F 0.6102(17) 0.5935(7) 0.8244(16) 0.038(5) Uani 0.196(6) 1 d D U P B 2
F8_8 F 0.5572(19) 0.6418(9) 0.9224(13) 0.052(5) Uani 0.196(6) 1 d D U P B 2
F9_8 F 0.601(2) 0.6692(8) 0.7964(18) 0.058(6) Uani 0.196(6) 1 d D U P B 2
O1_7 O 0.6473(6) 0.6842(2) 0.4478(5) 0.0328(10) Uani 0.524(6) 1 d D U P A 2
C1_7 C 0.7152(9) 0.7162(4) 0.4933(8) 0.0359(16) Uani 0.524(6) 1 d D U P A 2
C2_7 C 0.8246(9) 0.7068(4) 0.4715(9) 0.049(3) Uani 0.524(6) 1 d D U P A 2
F1_7 F 0.8500(6) 0.6639(3) 0.4784(9) 0.073(3) Uani 0.524(6) 1 d D U P A 2
F2_7 F 0.8965(9) 0.7302(4) 0.5283(9) 0.065(3) Uani 0.524(6) 1 d D U P A 2
F3_7 F 0.8334(7) 0.7176(3) 0.3806(6) 0.063(2) Uani 0.524(6) 1 d D U P A 2
C3_7 C 0.6788(9) 0.7642(5) 0.4497(9) 0.049(3) Uani 0.524(6) 1 d D U P A 2
F4_7 F 0.5927(7) 0.7766(3) 0.4810(8) 0.074(3) Uani 0.524(6) 1 d D U P A 2
F5_7 F 0.6539(9) 0.7622(3) 0.3552(6) 0.068(2) Uani 0.524(6) 1 d D U P A 2
F6_7 F 0.7507(8) 0.7956(3) 0.4745(7) 0.060(2) Uani 0.524(6) 1 d D U P A 2
C4_7 C 0.7046(13) 0.7186(6) 0.6000(10) 0.0467(15) Uani 0.524(6) 1 d D U P A 2
F7_7 F 0.6052(10) 0.7312(6) 0.5991(12) 0.078(4) Uani 0.524(6) 1 d D U P A 2
F8_7 F 0.7662(18) 0.7505(6) 0.6496(16) 0.070(6) Uani 0.524(6) 1 d D U P A 2
F9_7 F 0.7181(12) 0.6835(3) 0.6608(7) 0.069(3) Uani 0.524(6) 1 d D U P A 2
Ag1 Ag 0.5213(5) 0.8622(2) 0.4871(4) 0.0627(9) Uani 0.31 1 d . U P C 1
Ag2 Ag 0.4737(6) 0.8627(2) 0.5053(3) 0.0627(9) Uani 0.14 1 d . U P C 2
Ag3 Ag 0.4311(11) 0.8779(6) 0.5091(7) 0.0627(9) Uani 0.056 1 d . U P C 3
Ag4 Ag 0.4273(8) 0.9035(5) 0.5119(6) 0.0627(9) Uani 0.069 1 d . U P C 4
Ag5 Ag 0.4844(12) 0.9163(5) 0.5003(8) 0.0627(9) Uani 0.0489 1 d . U P C 5
Ag6 Ag 0.5894(15) 0.8887(8) 0.4784(11) 0.0627(9) Uani 0.034 1 d . . P C 6
Ag7 Ag 0.5354(17) 0.9137(7) 0.4812(12) 0.0627(9) Uani 0.034 1 d . U P C 7
Ag8 Ag 0.5473(4) 0.8582(3) 0.4792(4) 0.0627(9) Uani 0.31 1 d . U P C 8
O1_6 O 0.3576(3) 0.69205(15) 0.5426(3) 0.0334(9) Uani 0.840(5) 1 d D U P B 1
C1_6 C 0.2849(5) 0.7215(2) 0.5010(5) 0.0328(10) Uani 0.840(5) 1 d D U P B 1
C2_6 C 0.2887(6) 0.7257(3) 0.3916(5) 0.0413(13) Uani 0.840(5) 1 d D U P B 1
F1_6 F 0.3719(5) 0.74916(18) 0.3779(4) 0.0575(13) Uani 0.840(5) 1 d D U P B 1
F2_6 F 0.2063(5) 0.74670(19) 0.3430(3) 0.0545(12) Uani 0.840(5) 1 d D U P B 1
F3_6 F 0.2978(7) 0.6850(2) 0.3533(5) 0.0504(17) Uani 0.840(5) 1 d D U P B 1
C3_6 C 0.1736(5) 0.7065(3) 0.5125(6) 0.0483(17) Uani 0.840(5) 1 d D U P B 1
F4_6 F 0.1747(5) 0.6879(2) 0.5971(4) 0.0656(15) Uani 0.840(5) 1 d D U P B 1
F5_6 F 0.1379(3) 0.67425(18) 0.4495(4) 0.0594(13) Uani 0.840(5) 1 d D U P B 1
F6_6 F 0.1071(4) 0.7405(2) 0.5001(4) 0.0630(15) Uani 0.840(5) 1 d D U P B 1
C4_6 C 0.3074(6) 0.7684(2) 0.5485(5) 0.0441(15) Uani 0.840(5) 1 d D U P B 1
F7_6 F 0.2821(5) 0.7690(2) 0.6353(4) 0.0574(15) Uani 0.840(5) 1 d D U P B 1
F8_6 F 0.2574(4) 0.80242(15) 0.4986(4) 0.0575(13) Uani 0.840(5) 1 d D U P B 1
F9_6 F 0.4059(4) 0.77860(16) 0.5581(4) 0.0565(12) Uani 0.840(5) 1 d D U P B 1
O1_5 O 0.4596(8) 0.6288(5) 0.6765(4) 0.0289(10) Uani 0.804(6) 1 d D U P B 1
C1_5 C 0.4560(5) 0.6339(2) 0.7718(5) 0.0290(11) Uani 0.804(6) 1 d D U P B 1
C2_5 C 0.4347(7) 0.6850(3) 0.7944(5) 0.0463(18) Uani 0.804(6) 1 d D U P B 1
F1_5 F 0.4864(5) 0.71248(16) 0.7479(3) 0.0578(13) Uani 0.804(6) 1 d D U P B 1
F2_5 F 0.4595(4) 0.69355(17) 0.8876(3) 0.0534(12) Uani 0.804(6) 1 d D U P B 1
F3_5 F 0.3344(5) 0.6935(2) 0.7671(4) 0.0626(16) Uani 0.804(6) 1 d D U P B 1
C3_5 C 0.3747(6) 0.6033(3) 0.8033(5) 0.0487(17) Uani 0.804(6) 1 d D U P B 1
F4_5 F 0.4057(5) 0.55951(19) 0.8079(4) 0.0643(16) Uani 0.804(6) 1 d D U P B 1
F5_5 F 0.2878(4) 0.6046(3) 0.7379(4) 0.0625(16) Uani 0.804(6) 1 d D U P B 1
F6_5 F 0.3470(5) 0.6156(2) 0.8869(3) 0.0656(17) Uani 0.804(6) 1 d D U P B 1
C4_5 C 0.5656(6) 0.6216(3) 0.8288(5) 0.0439(19) Uani 0.804(6) 1 d D U P B 1
F7_5 F 0.5977(6) 0.5824(2) 0.7958(4) 0.0558(18) Uani 0.804(6) 1 d D U P B 1
F8_5 F 0.5641(5) 0.6166(3) 0.9220(3) 0.0582(16) Uani 0.804(6) 1 d D U P B 1
F9_5 F 0.6349(4) 0.6537(3) 0.8175(5) 0.0593(15) Uani 0.804(6) 1 d D U P B 1
O1_4 O 0.2986(3) 0.60014(15) 0.5176(3) 0.0312(9) Uani 0.854(5) 1 d D U P B 1
C1_4 C 0.2657(4) 0.5582(2) 0.4841(4) 0.0273(11) Uani 0.854(5) 1 d D U P B 1
C2_4 C 0.3184(6) 0.5205(2) 0.5502(5) 0.0441(15) Uani 0.854(5) 1 d D U P B 1
F1_4 F 0.4171(3) 0.52977(16) 0.5778(4) 0.0543(12) Uani 0.854(5) 1 d D U P B 1
F2_4 F 0.3117(5) 0.47985(14) 0.5069(4) 0.0592(13) Uani 0.854(5) 1 d D U P B 1
F3_4 F 0.2744(5) 0.5158(2) 0.6277(4) 0.0529(13) Uani 0.854(5) 1 d D U P B 1
C3_4 C 0.1474(5) 0.5566(3) 0.4801(5) 0.0447(15) Uani 0.854(5) 1 d D U P B 1
F4_4 F 0.0974(4) 0.5797(2) 0.4056(4) 0.0680(15) Uani 0.854(5) 1 d D U P B 1
F5_4 F 0.1205(4) 0.5740(2) 0.5590(4) 0.0584(14) Uani 0.854(5) 1 d D U P B 1
F6_4 F 0.1127(4) 0.5130(2) 0.4719(4) 0.0652(14) Uani 0.854(5) 1 d D U P B 1
C4_4 C 0.2909(7) 0.5522(3) 0.3815(5) 0.0473(19) Uani 0.854(5) 1 d D U P B 1
F7_4 F 0.2677(6) 0.59033(18) 0.3300(4) 0.0536(15) Uani 0.854(5) 1 d D U P B 1
F8_4 F 0.2376(6) 0.51813(19) 0.3338(4) 0.0626(15) Uani 0.854(5) 1 d D U P B 1
F9_4 F 0.3899(5) 0.5435(2) 0.3856(5) 0.0609(15) Uani 0.854(5) 1 d D U P B 1
O1_3 O 0.5393(3) 0.62643(15) 0.3184(2) 0.0380(8) Uani 1 1 d D U . D 1
C1_3 C 0.5483(4) 0.62485(18) 0.2246(3) 0.0333(10) Uani 1 1 d D U . D 1
C2_3 C 0.6633(4) 0.6190(2) 0.2114(4) 0.0445(12) Uani 1 1 d D U . D 1
F1_3 F 0.7236(3) 0.6431(2) 0.2750(4) 0.0757(15) Uani 1 1 d D U . D 1
F2_3 F 0.6801(3) 0.62958(14) 0.1248(3) 0.0517(9) Uani 1 1 d D U . D 1
F3_3 F 0.6935(4) 0.57547(16) 0.2272(3) 0.0633(11) Uani 1 1 d D U . D 1
C3_3 C 0.4874(5) 0.5833(3) 0.1765(4) 0.0531(15) Uani 1 1 d D U . D 1
F4_3 F 0.3849(4) 0.5926(3) 0.1654(4) 0.0908(19) Uani 1 1 d D U . D 1
F5_3 F 0.5024(5) 0.54671(18) 0.2295(4) 0.0826(16) Uani 1 1 d D U . D 1
F6_3 F 0.5100(3) 0.57407(16) 0.0899(3) 0.0596(11) Uani 1 1 d D U . D 1
C4_3 C 0.5054(6) 0.6694(3) 0.1755(4) 0.0585(16) Uani 1 1 d D U . D 1
F7_3 F 0.4182(5) 0.6806(2) 0.2035(3) 0.0875(19) Uani 1 1 d D U . D 1
F8_3 F 0.4875(5) 0.6661(2) 0.0807(3) 0.0775(16) Uani 1 1 d D U . D 1
F9_3 F 0.5746(5) 0.70291(17) 0.2000(4) 0.0796(15) Uani 1 1 d D U . D 1
O1_2 O 0.6877(6) 0.5910(3) 0.4751(6) 0.0354(12) Uani 0.524(7) 1 d D U P A 1
C1_2 C 0.7260(10) 0.5505(4) 0.5129(9) 0.0304(14) Uani 0.524(7) 1 d D U P A 1
C2_2 C 0.7146(12) 0.5437(5) 0.6191(11) 0.040(3) Uani 0.524(7) 1 d D U P A 1
F1_2 F 0.7008(14) 0.5850(5) 0.6531(14) 0.062(4) Uani 0.524(7) 1 d D U P A 1
F2_2 F 0.7898(11) 0.5190(6) 0.6664(15) 0.048(3) Uani 0.524(7) 1 d D U P A 1
F3_2 F 0.6280(9) 0.5208(5) 0.6318(11) 0.058(3) Uani 0.524(7) 1 d D U P A 1
C3_2 C 0.6745(8) 0.5100(4) 0.4534(8) 0.0328(18) Uani 0.524(7) 1 d D U P A 1
F4_2 F 0.7079(14) 0.5062(5) 0.3700(10) 0.044(3) Uani 0.524(7) 1 d D U P A 1
F5_2 F 0.5731(5) 0.5157(3) 0.4344(6) 0.0478(18) Uani 0.524(7) 1 d D U P A 1
F6_2 F 0.6900(9) 0.4709(3) 0.5007(6) 0.050(2) Uani 0.524(7) 1 d D U P A 1
C4_2 C 0.8440(11) 0.5528(7) 0.5028(13) 0.050(4) Uani 0.524(7) 1 d D U P A 1
F7_2 F 0.8396(17) 0.5711(8) 0.4149(13) 0.063(5) Uani 0.524(7) 1 d D U P A 1
F8_2 F 0.8881(18) 0.5116(7) 0.5065(15) 0.064(5) Uani 0.524(7) 1 d D U P A 1
F9_2 F 0.8982(8) 0.5767(4) 0.5749(9) 0.054(3) Uani 0.524(7) 1 d D U P A 1
O1_1 O 0.6962(6) 0.6636(2) 0.4791(5) 0.0328(10) Uani 0.476(6) 1 d D U P A 1
C1_1 C 0.7295(9) 0.7064(4) 0.5025(9) 0.0359(16) Uani 0.476(6) 1 d D U P A 1
C2_1 C 0.7144(13) 0.7166(6) 0.6059(11) 0.0467(15) Uani 0.476(6) 1 d D U P A 1
F1_1 F 0.6187(11) 0.7123(4) 0.6164(9) 0.061(3) Uani 0.476(6) 1 d D U P A 1
F2_1 F 0.7490(19) 0.7573(6) 0.638(2) 0.059(4) Uani 0.476(6) 1 d D U P A 1
F3_1 F 0.7733(11) 0.6815(4) 0.6424(9) 0.076(3) Uani 0.476(6) 1 d D U P A 1
C3_1 C 0.8483(10) 0.7077(5) 0.5096(10) 0.050(3) Uani 0.476(6) 1 d D U P A 1
F4_1 F 0.8735(8) 0.6866(5) 0.4322(8) 0.068(3) Uani 0.476(6) 1 d D U P A 1
F5_1 F 0.8974(8) 0.6867(4) 0.5864(8) 0.074(3) Uani 0.476(6) 1 d D U P A 1
F6_1 F 0.8810(10) 0.7502(4) 0.5089(10) 0.065(3) Uani 0.476(6) 1 d D U P A 1
C4_1 C 0.6795(10) 0.7426(4) 0.4323(9) 0.048(3) Uani 0.476(6) 1 d D U P A 1
F7_1 F 0.7222(9) 0.7414(3) 0.3532(6) 0.063(3) Uani 0.476(6) 1 d D U P A 1
F8_1 F 0.6892(13) 0.7852(4) 0.4663(8) 0.070(3) Uani 0.476(6) 1 d D U P A 1
F9_1 F 0.5771(7) 0.7328(3) 0.4058(7) 0.062(2) Uani 0.476(6) 1 d D U P A 1
F1 F 0.4385(8) 0.8487(5) 0.7664(9) 0.159(5) Uani 1 1 d . . . . .
Al1 Al 0.60224(10) 0.62820(4) 0.43331(9) 0.0226(3) Uani 1 1 d D . . . .
C1 C 0.4985(9) 0.8667(5) 0.7157(8) 0.085(3) Uani 1 1 d . . . . .
Al2 Al 0.39533(10) 0.63591(5) 0.56227(9) 0.0219(3) Uani 1 1 d D . . . .
F2 F 0.4170(7) 0.9364(4) 0.7208(9) 0.149(4) Uani 1 1 d . . . . .
F3 F 0.4400(6) 0.9843(3) 0.3254(6) 0.112(2) Uani 1 1 d . . . . .
F4 F 0.5899(7) 0.9524(3) 0.2486(7) 0.120(3) Uani 1 1 d . . . . .
F5 F 0.4974(2) 0.62996(9) 0.4970(2) 0.0268(5) Uani 1 1 d . . . . .
C024 C 0.4734(9) 0.8477(3) 0.3074(7) 0.076(2) Uani 1 1 d . . . . .
H024 H 0.4797 0.8158 0.2999 0.091 Uiso 1 1 calc R U . C 1
C027 C 0.5273(8) 0.9222(3) 0.2846(7) 0.076(2) Uani 1 1 d . . . . .
C02B C 0.3818(8) 0.9107(3) 0.3598(8) 0.078(3) Uani 1 1 d . . . . .
H02B H 0.3275 0.9222 0.3898 0.094 Uiso 1 1 calc R U . C 2
C02J C 0.5753(9) 0.8427(4) 0.6845(7) 0.080(3) Uani 1 1 d . . . . .
H02J H 0.5815 0.8110 0.6970 0.096 Uiso 1 1 calc R U . . .
C02M C 0.3954(9) 0.8645(3) 0.3488(7) 0.076(3) Uani 1 1 d . . . . .
H02M H 0.3487 0.8439 0.3709 0.091 Uiso 1 1 calc R U . C 1
C02P C 0.4486(7) 0.9386(3) 0.3264(8) 0.073(2) Uani 1 1 d . . . . .
C02S C 0.6443(7) 0.8637(3) 0.6350(7) 0.067(2) Uani 1 1 d . . . . .
H02S H 0.6980 0.8467 0.6140 0.080 Uiso 1 1 calc R U . C 1
C02X C 0.5419(10) 0.8755(4) 0.2767(10) 0.085(3) Uani 1 1 d . . . . .
H02X H 0.5987 0.8638 0.2504 0.102 Uiso 1 1 calc R U . . .
C02Y C 0.6347(8) 0.9088(3) 0.6166(8) 0.074(2) Uani 1 1 d . . . . .
H02Y H 0.6839 0.9235 0.5847 0.089 Uiso 1 1 calc R U . C 1
C030 C 0.5537(8) 0.9346(4) 0.6435(9) 0.082(3) Uani 1 1 d . . . . .
H030 H 0.5473 0.9662 0.6295 0.099 Uiso 1 1 calc R U . C 4
C031 C 0.4866(8) 0.9135(4) 0.6889(8) 0.078(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1_11 C1_11 1.352(12) . ?
O1_11 Al1 1.776(8) . ?
C1_11 C3_11 1.540(15) . ?
C1_11 C4_11 1.560(15) . ?
C1_11 C2_11 1.564(13) . ?
C2_11 F1_11 1.311(13) . ?
C2_11 F2_11 1.319(13) . ?
C2_11 F3_11 1.324(14) . ?
C3_11 F5_11 1.323(16) . ?
C3_11 F4_11 1.341(15) . ?
C3_11 F6_11 1.355(15) . ?
C4_11 F8_11 1.313(17) . ?
C4_11 F9_11 1.320(17) . ?
C4_11 F7_11 1.337(16) . ?
O1_10 C1_10 1.365(16) . ?
O1_10 Al2 1.760(16) . ?
C1_10 C4_10 1.546(18) . ?
C1_10 C3_10 1.553(18) . ?
C1_10 C2_10 1.555(18) . ?
C2_10 F2_10 1.335(19) . ?
C2_10 F3_10 1.337(19) . ?
C2_10 F1_10 1.341(19) . ?
C3_10 F5_10 1.326(19) . ?
C3_10 F4_10 1.340(19) . ?
C3_10 F6_10 1.342(19) . ?
C4_10 F8_10 1.321(19) . ?
C4_10 F7_10 1.323(19) . ?
C4_10 F9_10 1.330(19) . ?
O1_9 C1_9 1.342(16) . ?
O1_9 Al2 1.657(15) . ?
C1_9 C2_9 1.546(18) . ?
C1_9 C4_9 1.553(18) . ?
C1_9 C3_9 1.555(18) . ?
C2_9 F2_9 1.325(19) . ?
C2_9 F1_9 1.337(19) . ?
C2_9 F3_9 1.340(19) . ?
C3_9 F6_9 1.320(19) . ?
C3_9 F4_9 1.325(19) . ?
C3_9 F5_9 1.332(19) . ?
C4_9 F8_9 1.320(19) . ?
C4_9 F9_9 1.328(19) . ?
C4_9 F7_9 1.341(19) . ?
O1_8 C1_8 1.354(16) . ?
O1_8 Al2 1.692(19) . ?
C1_8 C3_8 1.532(18) . ?
C1_8 C2_8 1.542(17) . ?
C1_8 C4_8 1.560(18) . ?
C2_8 F1_8 1.326(18) . ?
C2_8 F3_8 1.329(17) . ?
C2_8 F2_8 1.336(17) . ?
C3_8 F4_8 1.314(18) . ?
C3_8 F5_8 1.323(18) . ?
C3_8 F6_8 1.334(18) . ?
C4_8 F8_8 1.331(19) . ?
C4_8 F9_8 1.337(18) . ?
C4_8 F7_8 1.342(18) . ?
O1_7 C1_7 1.378(11) . ?
O1_7 Al1 1.748(6) . ?
C1_7 C4_7 1.539(13) . ?
C1_7 C2_7 1.541(14) . ?
C1_7 C3_7 1.581(14) . ?
C2_7 F1_7 1.303(13) . ?
C2_7 F2_7 1.324(13) . ?
C2_7 F3_7 1.346(14) . ?
C3_7 F5_7 1.321(13) . ?
C3_7 F6_7 1.324(13) . ?
C3_7 F4_7 1.330(14) . ?
C4_7 F9_7 1.334(15) . ?
C4_7 F7_7 1.352(15) . ?
C4_7 F8_7 1.355(15) . ?
Ag1 C02M 2.337(11) . ?
Ag1 C02S 2.415(10) . ?
Ag1 C024 2.548(11) . ?
Ag1 C02Y 2.553(12) . ?
Ag2 C02M 2.276(10) . ?
Ag2 C02B 2.612(12) . ?
Ag2 C02S 2.642(10) . ?
Ag3 C02M 2.268(15) . ?
Ag3 C02B 2.310(16) . ?
Ag4 C02B 2.142(14) . ?
Ag4 C030 2.450(15) . ?
Ag4 C031 2.508(14) . ?
Ag4 C02M 2.545(14) . ?
Ag5 C030 2.143(16) . ?
Ag5 C02B 2.208(15) . ?
Ag5 C02Y 2.354(16) . ?
Ag5 C02P 2.509(16) . ?
Ag5 C031 2.662(17) . ?
Ag6 C02Y 2.031(19) . ?
Ag6 C02S 2.328(18) . ?
Ag7 C02Y 2.131(19) . ?
Ag7 C030 2.35(2) . ?
Ag7 C02P 2.402(19) . ?
Ag7 C02B 2.42(2) . ?
Ag8 C02S 2.356(11) . ?
Ag8 C02M 2.481(12) . ?
Ag8 C024 2.477(12) . ?
Ag8 C02Y 2.558(12) . ?
O1_6 C1_6 1.347(7) . ?
O1_6 Al2 1.732(4) . ?
C1_6 C4_6 1.542(9) . ?
C1_6 C3_6 1.558(9) . ?
C1_6 C2_6 1.559(8) . ?
C2_6 F3_6 1.327(9) . ?
C2_6 F2_6 1.330(9) . ?
C2_6 F1_6 1.332(9) . ?
C3_6 F4_6 1.311(9) . ?
C3_6 F6_6 1.319(9) . ?
C3_6 F5_6 1.330(10) . ?
C4_6 F9_6 1.309(9) . ?
C4_6 F7_6 1.323(8) . ?
C4_6 F8_6 1.330(8) . ?
O1_5 C1_5 1.363(7) . ?
O1_5 Al2 1.704(6) . ?
C1_5 C3_5 1.517(9) . ?
C1_5 C4_5 1.567(9) . ?
C1_5 C2_5 1.570(10) . ?
C2_5 F1_5 1.301(10) . ?
C2_5 F2_5 1.326(8) . ?
C2_5 F3_5 1.329(10) . ?
C3_5 F5_5 1.341(9) . ?
C3_5 F6_5 1.343(8) . ?
C3_5 F4_5 1.347(10) . ?
C4_5 F8_5 1.328(8) . ?
C4_5 F7_5 1.335(10) . ?
C4_5 F9_5 1.338(10) . ?
O1_4 C1_4 1.363(7) . ?
O1_4 Al2 1.686(4) . ?
C1_4 C2_4 1.538(8) . ?
C1_4 C3_4 1.543(8) . ?
C1_4 C4_4 1.550(8) . ?
C2_4 F1_4 1.315(8) . ?
C2_4 F3_4 1.328(8) . ?
C2_4 F2_4 1.338(9) . ?
C3_4 F5_4 1.328(9) . ?
C3_4 F4_4 1.330(9) . ?
C3_4 F6_4 1.356(9) . ?
C4_4 F9_4 1.313(10) . ?
C4_4 F8_4 1.336(9) . ?
C4_4 F7_4 1.344(9) . ?
O1_3 C1_3 1.351(5) . ?
O1_3 Al1 1.694(4) . ?
C1_3 C4_3 1.544(8) . ?
C1_3 C3_3 1.552(8) . ?
C1_3 C2_3 1.557(7) . ?
C2_3 F1_3 1.301(7) . ?
C2_3 F2_3 1.317(6) . ?
C2_3 F3_3 1.347(8) . ?
C3_3 F5_3 1.305(9) . ?
C3_3 F6_3 1.335(6) . ?
C3_3 F4_3 1.353(9) . ?
C4_3 F7_3 1.312(8) . ?
C4_3 F8_3 1.324(7) . ?
C4_3 F9_3 1.343(10) . ?
O1_2 C1_2 1.366(11) . ?
O1_2 Al1 1.605(7) . ?
C1_2 C3_2 1.544(12) . ?
C1_2 C2_2 1.546(14) . ?
C1_2 C4_2 1.578(14) . ?
C2_2 F2_2 1.311(14) . ?
C2_2 F1_2 1.328(15) . ?
C2_2 F3_2 1.357(14) . ?
C3_2 F5_2 1.322(12) . ?
C3_2 F4_2 1.329(12) . ?
C3_2 F6_2 1.328(12) . ?
C4_2 F8_2 1.338(16) . ?
C4_2 F9_2 1.340(15) . ?
C4_2 F7_2 1.345(16) . ?
O1_1 C1_1 1.355(12) . ?
O1_1 Al1 1.658(7) . ?
C1_1 C4_1 1.524(14) . ?
C1_1 C2_1 1.536(15) . ?
C1_1 C3_1 1.543(14) . ?
C2_1 F1_1 1.294(16) . ?
C2_1 F2_1 1.330(16) . ?
C2_1 F3_1 1.338(16) . ?
C3_1 F5_1 1.317(15) . ?
C3_1 F6_1 1.323(14) . ?
C3_1 F4_1 1.345(14) . ?
C4_1 F7_1 1.332(13) . ?
C4_1 F8_1 1.341(14) . ?
C4_1 F9_1 1.362(14) . ?
F1 C1 1.265(14) . ?
Al1 F5 1.764(3) . ?
C1 C02J 1.362(17) . ?
C1 C031 1.428(17) . ?
Al2 F5 1.757(3) . ?
F2 C031 1.274(14) . ?
F3 C02P 1.348(12) . ?
F4 C027 1.364(13) . ?
C024 C02X 1.338(17) . ?
C024 C02M 1.353(17) . ?
C024 H024 0.9500 . ?
C027 C02P 1.359(15) . ?
C027 C02X 1.392(15) . ?
C02B C02P 1.341(16) . ?
C02B C02M 1.380(15) . ?
C02B H02B 0.9500 . ?
C02J C02S 1.378(16) . ?
C02J H02J 0.9500 . ?
C02M H02M 0.9500 . ?
C02S C02Y 1.354(13) . ?
C02S H02S 0.9500 . ?
C02X H02X 0.9500 . ?
C02Y C030 1.407(16) . ?
C02Y H02Y 0.9500 . ?
C030 C031 1.327(16) . ?
C030 H030 0.9500 . ?

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
C1_11 O1_11 Al1 151.2(9) . . ?
O1_11 C1_11 C3_11 114.3(11) . . ?
O1_11 C1_11 C4_11 107.5(12) . . ?
C3_11 C1_11 C4_11 105.2(11) . . ?
O1_11 C1_11 C2_11 106.6(10) . . ?
C3_11 C1_11 C2_11 109.7(10) . . ?
C4_11 C1_11 C2_11 113.7(11) . . ?
F1_11 C2_11 F2_11 107.5(11) . . ?
F1_11 C2_11 F3_11 108.1(13) . . ?
F2_11 C2_11 F3_11 107.8(11) . . ?
F1_11 C2_11 C1_11 110.7(10) . . ?
F2_11 C2_11 C1_11 113.1(10) . . ?
F3_11 C2_11 C1_11 109.5(12) . . ?
F5_11 C3_11 F4_11 104.3(18) . . ?
F5_11 C3_11 F6_11 101.8(16) . . ?
F4_11 C3_11 F6_11 109.9(15) . . ?
F5_11 C3_11 C1_11 118.7(16) . . ?
F4_11 C3_11 C1_11 111.6(13) . . ?
F6_11 C3_11 C1_11 109.9(16) . . ?
F8_11 C4_11 F9_11 108.1(16) . . ?
F8_11 C4_11 F7_11 101.9(18) . . ?
F9_11 C4_11 F7_11 110.1(16) . . ?
F8_11 C4_11 C1_11 112.4(17) . . ?
F9_11 C4_11 C1_11 108.0(14) . . ?
F7_11 C4_11 C1_11 116.1(15) . . ?
C1_10 O1_10 Al2 151(2) . . ?
O1_10 C1_10 C4_10 107.2(17) . . ?
O1_10 C1_10 C3_10 110.5(17) . . ?
C4_10 C1_10 C3_10 109.6(16) . . ?
O1_10 C1_10 C2_10 109.9(17) . . ?
C4_10 C1_10 C2_10 108.7(16) . . ?
C3_10 C1_10 C2_10 110.8(16) . . ?
F2_10 C2_10 F3_10 104(2) . . ?
F2_10 C2_10 F1_10 109(2) . . ?
F3_10 C2_10 F1_10 111(2) . . ?
F2_10 C2_10 C1_10 114.9(19) . . ?
F3_10 C2_10 C1_10 107(2) . . ?
F1_10 C2_10 C1_10 110.7(18) . . ?
F5_10 C3_10 F4_10 104(2) . . ?
F5_10 C3_10 F6_10 108(2) . . ?
F4_10 C3_10 F6_10 106(2) . . ?
F5_10 C3_10 C1_10 112.2(19) . . ?
F4_10 C3_10 C1_10 113.6(18) . . ?
F6_10 C3_10 C1_10 112(2) . . ?
F8_10 C4_10 F7_10 110(2) . . ?
F8_10 C4_10 F9_10 106(2) . . ?
F7_10 C4_10 F9_10 104(2) . . ?
F8_10 C4_10 C1_10 111(2) . . ?
F7_10 C4_10 C1_10 112(2) . . ?
F9_10 C4_10 C1_10 113.0(19) . . ?
C1_9 O1_9 Al2 148.5(19) . . ?
O1_9 C1_9 C2_9 111.4(18) . . ?
O1_9 C1_9 C4_9 109.5(16) . . ?
C2_9 C1_9 C4_9 109.4(16) . . ?
O1_9 C1_9 C3_9 108.4(17) . . ?
C2_9 C1_9 C3_9 109.0(16) . . ?
C4_9 C1_9 C3_9 109.1(15) . . ?
F2_9 C2_9 F1_9 108(2) . . ?
F2_9 C2_9 F3_9 112(2) . . ?
F1_9 C2_9 F3_9 104(2) . . ?
F2_9 C2_9 C1_9 111.0(18) . . ?
F1_9 C2_9 C1_9 112(2) . . ?
F3_9 C2_9 C1_9 109.3(17) . . ?
F6_9 C3_9 F4_9 108(2) . . ?
F6_9 C3_9 F5_9 111(2) . . ?
F4_9 C3_9 F5_9 105(2) . . ?
F6_9 C3_9 C1_9 110.9(18) . . ?
F4_9 C3_9 C1_9 113(2) . . ?
F5_9 C3_9 C1_9 109.0(17) . . ?
F8_9 C4_9 F9_9 113(2) . . ?
F8_9 C4_9 F7_9 107(2) . . ?
F9_9 C4_9 F7_9 106(2) . . ?
F8_9 C4_9 C1_9 108.8(18) . . ?
F9_9 C4_9 C1_9 110.6(17) . . ?
F7_9 C4_9 C1_9 111.0(18) . . ?
C1_8 O1_8 Al2 148(3) . . ?
O1_8 C1_8 C3_8 111(3) . . ?
O1_8 C1_8 C2_8 111(2) . . ?
C3_8 C1_8 C2_8 111.1(15) . . ?
O1_8 C1_8 C4_8 106.9(19) . . ?
C3_8 C1_8 C4_8 108.8(15) . . ?
C2_8 C1_8 C4_8 107.7(15) . . ?
F1_8 C2_8 F3_8 108.2(17) . . ?
F1_8 C2_8 F2_8 109.8(18) . . ?
F3_8 C2_8 F2_8 106.1(16) . . ?
F1_8 C2_8 C1_8 112.3(16) . . ?
F3_8 C2_8 C1_8 109.1(14) . . ?
F2_8 C2_8 C1_8 111.2(15) . . ?
F4_8 C3_8 F5_8 107.8(18) . . ?
F4_8 C3_8 F6_8 107.4(18) . . ?
F5_8 C3_8 F6_8 105.6(18) . . ?
F4_8 C3_8 C1_8 113.7(16) . . ?
F5_8 C3_8 C1_8 110.3(16) . . ?
F6_8 C3_8 C1_8 111.6(16) . . ?
F8_8 C4_8 F9_8 105(2) . . ?
F8_8 C4_8 F7_8 109(2) . . ?
F9_8 C4_8 F7_8 115(2) . . ?
F8_8 C4_8 C1_8 112.3(18) . . ?
F9_8 C4_8 C1_8 107.5(18) . . ?
F7_8 C4_8 C1_8 108.1(17) . . ?
C1_7 O1_7 Al1 151.3(7) . . ?
O1_7 C1_7 C4_7 109.3(10) . . ?
O1_7 C1_7 C2_7 109.5(9) . . ?
C4_7 C1_7 C2_7 116.4(10) . . ?
O1_7 C1_7 C3_7 107.4(9) . . ?
C4_7 C1_7 C3_7 105.7(9) . . ?
C2_7 C1_7 C3_7 108.2(9) . . ?
F1_7 C2_7 F2_7 108.1(11) . . ?
F1_7 C2_7 F3_7 103.9(11) . . ?
F2_7 C2_7 F3_7 106.8(10) . . ?
F1_7 C2_7 C1_7 113.1(9) . . ?
F2_7 C2_7 C1_7 112.1(11) . . ?
F3_7 C2_7 C1_7 112.3(10) . . ?
F5_7 C3_7 F6_7 110.1(10) . . ?
F5_7 C3_7 F4_7 105.6(11) . . ?
F6_7 C3_7 F4_7 109.1(12) . . ?
F5_7 C3_7 C1_7 111.1(11) . . ?
F6_7 C3_7 C1_7 111.4(10) . . ?
F4_7 C3_7 C1_7 109.4(9) . . ?
F9_7 C4_7 F7_7 104.0(13) . . ?
F9_7 C4_7 F8_7 101.6(14) . . ?
F7_7 C4_7 F8_7 107.7(16) . . ?
F9_7 C4_7 C1_7 124.8(13) . . ?
F7_7 C4_7 C1_7 104.4(12) . . ?
F8_7 C4_7 C1_7 113.2(14) . . ?
C02M Ag1 C02S 176.0(5) . . ?
C02M Ag1 C024 31.8(4) . . ?
C02S Ag1 C024 151.9(4) . . ?
C02M Ag1 C02Y 145.9(4) . . ?
C02S Ag1 C02Y 31.5(3) . . ?
C024 Ag1 C02Y 145.1(5) . . ?
C02M Ag2 C02B 31.9(4) . . ?
C02M Ag2 C02S 149.8(5) . . ?
C02B Ag2 C02S 139.9(4) . . ?
C02M Ag3 C02B 35.1(4) . . ?
C02B Ag4 C030 139.7(7) . . ?
C02B Ag4 C031 167.4(8) . . ?
C030 Ag4 C031 31.0(4) . . ?
C02B Ag4 C02M 32.8(4) . . ?
C030 Ag4 C02M 147.4(6) . . ?
C031 Ag4 C02M 158.8(6) . . ?
C030 Ag5 C02B 164.8(9) . . ?
C030 Ag5 C02Y 36.1(5) . . ?
C02B Ag5 C02Y 158.7(9) . . ?
C030 Ag5 C02P 147.1(8) . . ?
C02B Ag5 C02P 32.2(4) . . ?
C02Y Ag5 C02P 134.8(8) . . ?
C030 Ag5 C031 29.6(4) . . ?
C02B Ag5 C031 143.1(9) . . ?
C02Y Ag5 C031 55.3(4) . . ?
C02P Ag5 C031 163.2(7) . . ?
C02Y Ag6 C02S 35.4(4) . . ?
C02Y Ag7 C030 36.2(5) . . ?
C02Y Ag7 C02P 164.3(12) . . ?
C030 Ag7 C02P 139.9(11) . . ?
C02Y Ag7 C02B 160.9(12) . . ?
C030 Ag7 C02B 129.8(11) . . ?
C02P Ag7 C02B 32.3(4) . . ?
C02S Ag8 C02M 158.2(4) . . ?
C02S Ag8 C024 170.1(4) . . ?
C02M Ag8 C024 31.7(4) . . ?
C02S Ag8 C02Y 31.6(3) . . ?
C02M Ag8 C02Y 136.2(4) . . ?
C024 Ag8 C02Y 150.1(5) . . ?
C1_6 O1_6 Al2 147.6(5) . . ?
O1_6 C1_6 C4_6 108.4(5) . . ?
O1_6 C1_6 C3_6 112.2(6) . . ?
C4_6 C1_6 C3_6 108.8(6) . . ?
O1_6 C1_6 C2_6 110.2(5) . . ?
C4_6 C1_6 C2_6 109.0(5) . . ?
C3_6 C1_6 C2_6 108.2(6) . . ?
F3_6 C2_6 F2_6 109.2(7) . . ?
F3_6 C2_6 F1_6 106.0(7) . . ?
F2_6 C2_6 F1_6 107.3(6) . . ?
F3_6 C2_6 C1_6 110.7(6) . . ?
F2_6 C2_6 C1_6 113.0(6) . . ?
F1_6 C2_6 C1_6 110.4(6) . . ?
F4_6 C3_6 F6_6 110.0(6) . . ?
F4_6 C3_6 F5_6 105.3(7) . . ?
F6_6 C3_6 F5_6 107.5(6) . . ?
F4_6 C3_6 C1_6 110.2(6) . . ?
F6_6 C3_6 C1_6 112.3(6) . . ?
F5_6 C3_6 C1_6 111.2(6) . . ?
F9_6 C4_6 F7_6 107.3(6) . . ?
F9_6 C4_6 F8_6 105.8(7) . . ?
F7_6 C4_6 F8_6 107.7(6) . . ?
F9_6 C4_6 C1_6 111.3(5) . . ?
F7_6 C4_6 C1_6 110.8(6) . . ?
F8_6 C4_6 C1_6 113.5(6) . . ?
C1_5 O1_5 Al2 146.0(9) . . ?
O1_5 C1_5 C3_5 111.5(8) . . ?
O1_5 C1_5 C4_5 107.5(6) . . ?
C3_5 C1_5 C4_5 109.9(6) . . ?
O1_5 C1_5 C2_5 110.1(7) . . ?
C3_5 C1_5 C2_5 110.5(6) . . ?
C4_5 C1_5 C2_5 107.2(6) . . ?
F1_5 C2_5 F2_5 108.8(7) . . ?
F1_5 C2_5 F3_5 108.0(7) . . ?
F2_5 C2_5 F3_5 108.6(6) . . ?
F1_5 C2_5 C1_5 111.4(6) . . ?
F2_5 C2_5 C1_5 111.2(6) . . ?
F3_5 C2_5 C1_5 108.8(7) . . ?
F5_5 C3_5 F6_5 105.9(7) . . ?
F5_5 C3_5 F4_5 105.9(7) . . ?
F6_5 C3_5 F4_5 109.9(6) . . ?
F5_5 C3_5 C1_5 109.8(6) . . ?
F6_5 C3_5 C1_5 113.8(7) . . ?
F4_5 C3_5 C1_5 111.1(6) . . ?
F8_5 C4_5 F7_5 108.0(7) . . ?
F8_5 C4_5 F9_5 108.6(7) . . ?
F7_5 C4_5 F9_5 107.9(7) . . ?
F8_5 C4_5 C1_5 111.7(6) . . ?
F7_5 C4_5 C1_5 109.6(6) . . ?
F9_5 C4_5 C1_5 111.0(7) . . ?
C1_4 O1_4 Al2 150.1(4) . . ?
O1_4 C1_4 C2_4 111.0(5) . . ?
O1_4 C1_4 C3_4 107.4(5) . . ?
C2_4 C1_4 C3_4 110.2(5) . . ?
O1_4 C1_4 C4_4 109.0(5) . . ?
C2_4 C1_4 C4_4 109.9(5) . . ?
C3_4 C1_4 C4_4 109.4(6) . . ?
F1_4 C2_4 F3_4 108.6(6) . . ?
F1_4 C2_4 F2_4 107.9(6) . . ?
F3_4 C2_4 F2_4 106.3(6) . . ?
F1_4 C2_4 C1_4 110.4(5) . . ?
F3_4 C2_4 C1_4 111.3(6) . . ?
F2_4 C2_4 C1_4 112.2(6) . . ?
F5_4 C3_4 F4_4 107.5(7) . . ?
F5_4 C3_4 F6_4 107.7(6) . . ?
F4_4 C3_4 F6_4 107.6(6) . . ?
F5_4 C3_4 C1_4 111.3(5) . . ?
F4_4 C3_4 C1_4 111.8(6) . . ?
F6_4 C3_4 C1_4 110.7(6) . . ?
F9_4 C4_4 F8_4 107.8(7) . . ?
F9_4 C4_4 F7_4 108.5(7) . . ?
F8_4 C4_4 F7_4 107.5(7) . . ?
F9_4 C4_4 C1_4 110.2(7) . . ?
F8_4 C4_4 C1_4 112.5(6) . . ?
F7_4 C4_4 C1_4 110.2(6) . . ?
C1_3 O1_3 Al1 146.4(3) . . ?
O1_3 C1_3 C4_3 109.0(4) . . ?
O1_3 C1_3 C3_3 109.4(4) . . ?
C4_3 C1_3 C3_3 110.5(5) . . ?
O1_3 C1_3 C2_3 111.5(4) . . ?
C4_3 C1_3 C2_3 109.1(5) . . ?
C3_3 C1_3 C2_3 107.3(5) . . ?
F1_3 C2_3 F2_3 109.6(5) . . ?
F1_3 C2_3 F3_3 105.9(6) . . ?
F2_3 C2_3 F3_3 106.7(5) . . ?
F1_3 C2_3 C1_3 110.2(5) . . ?
F2_3 C2_3 C1_3 113.6(5) . . ?
F3_3 C2_3 C1_3 110.4(5) . . ?
F5_3 C3_3 F6_3 108.9(6) . . ?
F5_3 C3_3 F4_3 106.5(6) . . ?
F6_3 C3_3 F4_3 107.6(5) . . ?
F5_3 C3_3 C1_3 112.4(5) . . ?
F6_3 C3_3 C1_3 112.5(5) . . ?
F4_3 C3_3 C1_3 108.6(6) . . ?
F7_3 C4_3 F8_3 107.9(6) . . ?
F7_3 C4_3 F9_3 108.9(6) . . ?
F8_3 C4_3 F9_3 108.2(6) . . ?
F7_3 C4_3 C1_3 110.3(6) . . ?
F8_3 C4_3 C1_3 112.4(5) . . ?
F9_3 C4_3 C1_3 109.1(6) . . ?
C1_2 O1_2 Al1 157.8(8) . . ?
O1_2 C1_2 C3_2 111.1(9) . . ?
O1_2 C1_2 C2_2 113.7(10) . . ?
C3_2 C1_2 C2_2 109.0(10) . . ?
O1_2 C1_2 C4_2 103.2(10) . . ?
C3_2 C1_2 C4_2 109.2(10) . . ?
C2_2 C1_2 C4_2 110.4(10) . . ?
F2_2 C2_2 F1_2 117.2(16) . . ?
F2_2 C2_2 F3_2 103.4(13) . . ?
F1_2 C2_2 F3_2 103.8(13) . . ?
F2_2 C2_2 C1_2 112.2(13) . . ?
F1_2 C2_2 C1_2 106.0(13) . . ?
F3_2 C2_2 C1_2 114.2(12) . . ?
F5_2 C3_2 F4_2 107.5(11) . . ?
F5_2 C3_2 F6_2 105.9(10) . . ?
F4_2 C3_2 F6_2 109.2(10) . . ?
F5_2 C3_2 C1_2 110.2(9) . . ?
F4_2 C3_2 C1_2 111.6(11) . . ?
F6_2 C3_2 C1_2 112.2(9) . . ?
F8_2 C4_2 F9_2 105.9(15) . . ?
F8_2 C4_2 F7_2 110.4(17) . . ?
F9_2 C4_2 F7_2 115.4(17) . . ?
F8_2 C4_2 C1_2 112.4(15) . . ?
F9_2 C4_2 C1_2 110.9(12) . . ?
F7_2 C4_2 C1_2 102.2(14) . . ?
C1_1 O1_1 Al1 150.0(8) . . ?
O1_1 C1_1 C4_1 113.7(10) . . ?
O1_1 C1_1 C2_1 109.0(11) . . ?
C4_1 C1_1 C2_1 111.9(11) . . ?
O1_1 C1_1 C3_1 108.5(10) . . ?
C4_1 C1_1 C3_1 110.1(10) . . ?
C2_1 C1_1 C3_1 102.9(10) . . ?
F1_1 C2_1 F2_1 109.4(17) . . ?
F1_1 C2_1 F3_1 112.8(15) . . ?
F2_1 C2_1 F3_1 115.0(16) . . ?
F1_1 C2_1 C1_1 111.8(13) . . ?
F2_1 C2_1 C1_1 113.9(17) . . ?
F3_1 C2_1 C1_1 93.3(12) . . ?
F5_1 C3_1 F6_1 109.5(13) . . ?
F5_1 C3_1 F4_1 107.6(12) . . ?
F6_1 C3_1 F4_1 107.7(12) . . ?
F5_1 C3_1 C1_1 113.0(11) . . ?
F6_1 C3_1 C1_1 110.2(11) . . ?
F4_1 C3_1 C1_1 108.6(11) . . ?
F7_1 C4_1 F8_1 107.2(11) . . ?
F7_1 C4_1 F9_1 107.4(11) . . ?
F8_1 C4_1 F9_1 109.0(13) . . ?
F7_1 C4_1 C1_1 109.5(11) . . ?
F8_1 C4_1 C1_1 114.5(11) . . ?
F9_1 C4_1 C1_1 109.2(10) . . ?
O1_2 Al1 O1_1 81.9(4) . . ?
O1_2 Al1 O1_3 121.9(3) . . ?
O1_1 Al1 O1_3 127.1(3) . . ?
O1_2 Al1 F5 112.8(3) . . ?
O1_1 Al1 F5 111.9(3) . . ?
O1_3 Al1 F5 101.21(17) . . ?
O1_7 Al1 F5 100.9(3) . . ?
O1_7 Al1 O1_11 138.5(4) . . ?
F5 Al1 O1_11 102.6(3) . . ?
F1 C1 C02J 122.0(13) . . ?
F1 C1 C031 120.2(13) . . ?
C02J C1 C031 117.8(10) . . ?
O1_9 Al2 O1_8 124(2) . . ?
O1_4 Al2 O1_5 119.9(5) . . ?
O1_4 Al2 O1_6 111.0(2) . . ?
O1_5 Al2 O1_6 110.6(5) . . ?
O1_9 Al2 F5 116.4(8) . . ?
O1_4 Al2 F5 109.43(18) . . ?
O1_8 Al2 F5 103.1(15) . . ?
O1_5 Al2 F5 100.8(4) . . ?
O1_6 Al2 F5 103.46(19) . . ?
O1_9 Al2 O1_10 108.0(12) . . ?
O1_8 Al2 O1_10 105(2) . . ?
F5 Al2 O1_10 95.8(8) . . ?
Al2 F5 Al1 175.80(19) . . ?
C02X C024 C02M 121.0(10) . . ?
C02X C024 Ag8 94.0(8) . . ?
C02M C024 Ag8 74.3(6) . . ?
C02X C024 Ag1 98.9(8) . . ?
C02M C024 Ag1 65.5(6) . . ?
C02X C024 H024 119.5 . . ?
C02M C024 H024 119.5 . . ?
Ag1 C024 H024 105.3 . . ?
C02P C027 F4 118.7(9) . . ?
C02P C027 C02X 120.5(10) . . ?
F4 C027 C02X 120.7(10) . . ?
C02P C02B C02M 117.2(11) . . ?
C02P C02B Ag4 109.0(8) . . ?
C02M C02B Ag4 89.8(7) . . ?
C02P C02B Ag5 86.3(7) . . ?
C02M C02B Ag5 96.0(8) . . ?
C02P C02B Ag3 118.6(8) . . ?
C02M C02B Ag3 70.8(7) . . ?
C02P C02B Ag7 73.3(8) . . ?
C02M C02B Ag7 90.5(8) . . ?
C02P C02B Ag2 111.4(7) . . ?
C02M C02B Ag2 60.5(6) . . ?
C02P C02B H02B 121.4 . . ?
C02M C02B H02B 121.4 . . ?
Ag2 C02B H02B 97.0 . . ?
C1 C02J C02S 121.1(10) . . ?
C1 C02J H02J 119.5 . . ?
C02S C02J H02J 119.5 . . ?
C024 C02M C02B 121.8(10) . . ?
C024 C02M Ag3 116.8(8) . . ?
C02B C02M Ag3 74.1(8) . . ?
C024 C02M Ag2 99.3(7) . . ?
C02B C02M Ag2 87.6(7) . . ?
C024 C02M Ag1 82.7(6) . . ?
C02B C02M Ag1 91.1(7) . . ?
C024 C02M Ag8 74.0(6) . . ?
C02B C02M Ag8 95.3(7) . . ?
C024 C02M Ag4 122.3(8) . . ?
C02B C02M Ag4 57.3(7) . . ?
C024 C02M H02M 119.1 . . ?
C02B C02M H02M 119.1 . . ?
Ag1 C02M H02M 96.3 . . ?
C02B C02P F3 123.7(10) . . ?
C02B C02P C027 121.6(9) . . ?
F3 C02P C027 114.6(10) . . ?
C02B C02P Ag7 74.4(8) . . ?
F3 C02P Ag7 109.7(8) . . ?
C027 C02P Ag7 90.6(8) . . ?
C02B C02P Ag5 61.4(7) . . ?
F3 C02P Ag5 105.7(8) . . ?
C027 C02P Ag5 107.6(8) . . ?
C02Y C02S C02J 119.2(10) . . ?
C02Y C02S Ag6 60.3(8) . . ?
C02J C02S Ag6 119.9(8) . . ?
C02Y C02S Ag8 82.5(6) . . ?
C02J C02S Ag8 98.4(6) . . ?
C02Y C02S Ag1 79.9(6) . . ?
C02J C02S Ag1 91.8(6) . . ?
C02Y C02S Ag2 80.6(6) . . ?
C02J C02S Ag2 78.3(5) . . ?
C02Y C02S H02S 120.4 . . ?
C02J C02S H02S 120.4 . . ?
Ag1 C02S H02S 98.2 . . ?
C024 C02X C027 117.8(11) . . ?
C024 C02X H02X 121.1 . . ?
C027 C02X H02X 121.1 . . ?
C02S C02Y C030 121.7(10) . . ?
C02S C02Y Ag6 84.4(9) . . ?
C030 C02Y Ag6 107.7(9) . . ?
C02S C02Y Ag7 105.2(9) . . ?
C030 C02Y Ag7 80.3(9) . . ?
C02S C02Y Ag5 105.4(7) . . ?
C030 C02Y Ag5 63.7(7) . . ?
C02S C02Y Ag8 65.9(6) . . ?
C030 C02Y Ag8 104.8(7) . . ?
C02S C02Y Ag1 68.7(5) . . ?
C030 C02Y Ag1 96.2(7) . . ?
C02S C02Y H02Y 119.1 . . ?
C030 C02Y H02Y 119.1 . . ?
Ag1 C02Y H02Y 105.2 . . ?
C031 C030 C02Y 118.0(10) . . ?
C031 C030 Ag5 97.4(9) . . ?
C02Y C030 Ag5 80.2(8) . . ?
C031 C030 Ag7 112.5(10) . . ?
C02Y C030 Ag7 63.5(8) . . ?
C031 C030 Ag4 76.9(8) . . ?
C02Y C030 Ag4 92.2(8) . . ?
C031 C030 H030 121.0 . . ?
C02Y C030 H030 121.0 . . ?
Ag4 C030 H030 100.5 . . ?
F2 C031 C030 119.8(11) . . ?
F2 C031 C1 117.8(11) . . ?
C030 C031 C1 121.8(10) . . ?
F2 C031 Ag4 107.1(8) . . ?
C030 C031 Ag4 72.1(8) . . ?
C1 C031 Ag4 98.8(8) . . ?
F2 C031 Ag5 116.7(8) . . ?
C030 C031 Ag5 52.9(7) . . ?
C1 C031 Ag5 106.2(8) . . ?

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 O1_11 C1_11 C3_11 -57(2) . . . . ?
Al1 O1_11 C1_11 C4_11 59(2) . . . . ?
Al1 O1_11 C1_11 C2_11 -178.6(13) . . . . ?
O1_11 C1_11 C2_11 F1_11 -47.0(14) . . . . ?
C3_11 C1_11 C2_11 F1_11 -171.2(12) . . . . ?
C4_11 C1_11 C2_11 F1_11 71.3(15) . . . . ?
O1_11 C1_11 C2_11 F2_11 -167.7(11) . . . . ?
C3_11 C1_11 C2_11 F2_11 68.1(14) . . . . ?
C4_11 C1_11 C2_11 F2_11 -49.4(15) . . . . ?
O1_11 C1_11 C2_11 F3_11 72.0(15) . . . . ?
C3_11 C1_11 C2_11 F3_11 -52.2(16) . . . . ?
C4_11 C1_11 C2_11 F3_11 -169.7(14) . . . . ?
O1_11 C1_11 C3_11 F5_11 -46(2) . . . . ?
C4_11 C1_11 C3_11 F5_11 -163.3(18) . . . . ?
C2_11 C1_11 C3_11 F5_11 74(2) . . . . ?
O1_11 C1_11 C3_11 F4_11 75.8(17) . . . . ?
C4_11 C1_11 C3_11 F4_11 -42.0(17) . . . . ?
C2_11 C1_11 C3_11 F4_11 -164.6(14) . . . . ?
O1_11 C1_11 C3_11 F6_11 -162.0(14) . . . . ?
C4_11 C1_11 C3_11 F6_11 80.3(16) . . . . ?
C2_11 C1_11 C3_11 F6_11 -42.4(17) . . . . ?
O1_11 C1_11 C4_11 F8_11 175.5(16) . . . . ?
C3_11 C1_11 C4_11 F8_11 -62.3(18) . . . . ?
C2_11 C1_11 C4_11 F8_11 57.8(19) . . . . ?
O1_11 C1_11 C4_11 F9_11 56.4(16) . . . . ?
C3_11 C1_11 C4_11 F9_11 178.6(14) . . . . ?
C2_11 C1_11 C4_11 F9_11 -61.3(17) . . . . ?
O1_11 C1_11 C4_11 F7_11 -67.8(19) . . . . ?
C3_11 C1_11 C4_11 F7_11 54(2) . . . . ?
C2_11 C1_11 C4_11 F7_11 174.5(16) . . . . ?
Al2 O1_10 C1_10 C4_10 74(4) . . . . ?
Al2 O1_10 C1_10 C3_10 -46(4) . . . . ?
Al2 O1_10 C1_10 C2_10 -168(3) . . . . ?
O1_10 C1_10 C2_10 F2_10 -164(2) . . . . ?
C4_10 C1_10 C2_10 F2_10 -47(3) . . . . ?
C3_10 C1_10 C2_10 F2_10 73(3) . . . . ?
O1_10 C1_10 C2_10 F3_10 80(2) . . . . ?
C4_10 C1_10 C2_10 F3_10 -163(2) . . . . ?
C3_10 C1_10 C2_10 F3_10 -42(3) . . . . ?
O1_10 C1_10 C2_10 F1_10 -41(3) . . . . ?
C4_10 C1_10 C2_10 F1_10 77(2) . . . . ?
C3_10 C1_10 C2_10 F1_10 -163(2) . . . . ?
O1_10 C1_10 C3_10 F5_10 -39(3) . . . . ?
C4_10 C1_10 C3_10 F5_10 -157(2) . . . . ?
C2_10 C1_10 C3_10 F5_10 83(2) . . . . ?
O1_10 C1_10 C3_10 F4_10 79(2) . . . . ?
C4_10 C1_10 C3_10 F4_10 -39(2) . . . . ?
C2_10 C1_10 C3_10 F4_10 -159(2) . . . . ?
O1_10 C1_10 C3_10 F6_10 -161(2) . . . . ?
C4_10 C1_10 C3_10 F6_10 81(2) . . . . ?
C2_10 C1_10 C3_10 F6_10 -39(3) . . . . ?
O1_10 C1_10 C4_10 F8_10 -163(2) . . . . ?
C3_10 C1_10 C4_10 F8_10 -43(3) . . . . ?
C2_10 C1_10 C4_10 F8_10 78(3) . . . . ?
O1_10 C1_10 C4_10 F7_10 -39(3) . . . . ?
C3_10 C1_10 C4_10 F7_10 81(2) . . . . ?
C2_10 C1_10 C4_10 F7_10 -158(2) . . . . ?
O1_10 C1_10 C4_10 F9_10 78(3) . . . . ?
C3_10 C1_10 C4_10 F9_10 -162(2) . . . . ?
C2_10 C1_10 C4_10 F9_10 -41(3) . . . . ?
Al2 O1_9 C1_9 C2_9 -41(4) . . . . ?
Al2 O1_9 C1_9 C4_9 -163(3) . . . . ?
Al2 O1_9 C1_9 C3_9 79(4) . . . . ?
O1_9 C1_9 C2_9 F2_9 162(2) . . . . ?
C4_9 C1_9 C2_9 F2_9 -76(2) . . . . ?
C3_9 C1_9 C2_9 F2_9 43(2) . . . . ?
O1_9 C1_9 C2_9 F1_9 -76(2) . . . . ?
C4_9 C1_9 C2_9 F1_9 45(2) . . . . ?
C3_9 C1_9 C2_9 F1_9 164(2) . . . . ?
O1_9 C1_9 C2_9 F3_9 38(2) . . . . ?
C4_9 C1_9 C2_9 F3_9 159.4(19) . . . . ?
C3_9 C1_9 C2_9 F3_9 -81(2) . . . . ?
O1_9 C1_9 C3_9 F6_9 165(2) . . . . ?
C2_9 C1_9 C3_9 F6_9 -74(3) . . . . ?
C4_9 C1_9 C3_9 F6_9 46(3) . . . . ?
O1_9 C1_9 C3_9 F4_9 44(3) . . . . ?
C2_9 C1_9 C3_9 F4_9 165(2) . . . . ?
C4_9 C1_9 C3_9 F4_9 -75(3) . . . . ?
O1_9 C1_9 C3_9 F5_9 -73(2) . . . . ?
C2_9 C1_9 C3_9 F5_9 48(2) . . . . ?
C4_9 C1_9 C3_9 F5_9 168(2) . . . . ?
O1_9 C1_9 C4_9 F8_9 167(2) . . . . ?
C2_9 C1_9 C4_9 F8_9 44(2) . . . . ?
C3_9 C1_9 C4_9 F8_9 -75(2) . . . . ?
O1_9 C1_9 C4_9 F9_9 42(3) . . . . ?
C2_9 C1_9 C4_9 F9_9 -80(2) . . . . ?
C3_9 C1_9 C4_9 F9_9 161(2) . . . . ?
O1_9 C1_9 C4_9 F7_9 -76(2) . . . . ?
C2_9 C1_9 C4_9 F7_9 162(2) . . . . ?
C3_9 C1_9 C4_9 F7_9 43(2) . . . . ?
Al2 O1_8 C1_8 C3_8 67(8) . . . . ?
Al2 O1_8 C1_8 C2_8 -57(8) . . . . ?
Al2 O1_8 C1_8 C4_8 -175(7) . . . . ?
O1_8 C1_8 C2_8 F1_8 -72(3) . . . . ?
C3_8 C1_8 C2_8 F1_8 164.4(18) . . . . ?
C4_8 C1_8 C2_8 F1_8 45(2) . . . . ?
O1_8 C1_8 C2_8 F3_8 48(3) . . . . ?
C3_8 C1_8 C2_8 F3_8 -75.7(19) . . . . ?
C4_8 C1_8 C2_8 F3_8 165.2(17) . . . . ?
O1_8 C1_8 C2_8 F2_8 165(3) . . . . ?
C3_8 C1_8 C2_8 F2_8 41(2) . . . . ?
C4_8 C1_8 C2_8 F2_8 -78(2) . . . . ?
O1_8 C1_8 C3_8 F4_8 42(3) . . . . ?
C2_8 C1_8 C3_8 F4_8 166.4(17) . . . . ?
C4_8 C1_8 C3_8 F4_8 -75(2) . . . . ?
O1_8 C1_8 C3_8 F5_8 -79(3) . . . . ?
C2_8 C1_8 C3_8 F5_8 45(2) . . . . ?
C4_8 C1_8 C3_8 F5_8 163.5(18) . . . . ?
O1_8 C1_8 C3_8 F6_8 164(2) . . . . ?
C2_8 C1_8 C3_8 F6_8 -72(2) . . . . ?
C4_8 C1_8 C3_8 F6_8 46(2) . . . . ?
O1_8 C1_8 C4_8 F8_8 161(3) . . . . ?
C3_8 C1_8 C4_8 F8_8 -79(2) . . . . ?
C2_8 C1_8 C4_8 F8_8 41(2) . . . . ?
O1_8 C1_8 C4_8 F9_8 46(3) . . . . ?
C3_8 C1_8 C4_8 F9_8 166(2) . . . . ?
C2_8 C1_8 C4_8 F9_8 -74(2) . . . . ?
O1_8 C1_8 C4_8 F7_8 -79(3) . . . . ?
C3_8 C1_8 C4_8 F7_8 41(2) . . . . ?
C2_8 C1_8 C4_8 F7_8 161.6(17) . . . . ?
Al1 O1_7 C1_7 C4_7 -61.6(17) . . . . ?
Al1 O1_7 C1_7 C2_7 67.0(17) . . . . ?
Al1 O1_7 C1_7 C3_7 -175.8(11) . . . . ?
O1_7 C1_7 C2_7 F1_7 -44.3(14) . . . . ?
C4_7 C1_7 C2_7 F1_7 80.2(14) . . . . ?
C3_7 C1_7 C2_7 F1_7 -161.1(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 -166.9(11) . . . . ?
C4_7 C1_7 C2_7 F2_7 -42.4(15) . . . . ?
C3_7 C1_7 C2_7 F2_7 76.3(13) . . . . ?
O1_7 C1_7 C2_7 F3_7 72.9(11) . . . . ?
C4_7 C1_7 C2_7 F3_7 -162.7(10) . . . . ?
C3_7 C1_7 C2_7 F3_7 -43.9(12) . . . . ?
O1_7 C1_7 C3_7 F5_7 -43.9(13) . . . . ?
C4_7 C1_7 C3_7 F5_7 -160.5(11) . . . . ?
C2_7 C1_7 C3_7 F5_7 74.1(12) . . . . ?
O1_7 C1_7 C3_7 F6_7 -167.1(9) . . . . ?
C4_7 C1_7 C3_7 F6_7 76.3(12) . . . . ?
C2_7 C1_7 C3_7 F6_7 -49.0(13) . . . . ?
O1_7 C1_7 C3_7 F4_7 72.2(13) . . . . ?
C4_7 C1_7 C3_7 F4_7 -44.4(14) . . . . ?
C2_7 C1_7 C3_7 F4_7 -169.7(11) . . . . ?
O1_7 C1_7 C4_7 F9_7 57.9(18) . . . . ?
C2_7 C1_7 C4_7 F9_7 -66.7(18) . . . . ?
C3_7 C1_7 C4_7 F9_7 173.3(15) . . . . ?
O1_7 C1_7 C4_7 F7_7 -60.9(14) . . . . ?
C2_7 C1_7 C4_7 F7_7 174.5(12) . . . . ?
C3_7 C1_7 C4_7 F7_7 54.4(14) . . . . ?
O1_7 C1_7 C4_7 F8_7 -177.8(15) . . . . ?
C2_7 C1_7 C4_7 F8_7 57.7(18) . . . . ?
C3_7 C1_7 C4_7 F8_7 -62.4(17) . . . . ?
Al2 O1_6 C1_6 C4_6 163.9(6) . . . . ?
Al2 O1_6 C1_6 C3_6 43.7(11) . . . . ?
Al2 O1_6 C1_6 C2_6 -76.9(9) . . . . ?
O1_6 C1_6 C2_6 F3_6 44.3(9) . . . . ?
C4_6 C1_6 C2_6 F3_6 163.1(7) . . . . ?
C3_6 C1_6 C2_6 F3_6 -78.7(8) . . . . ?
O1_6 C1_6 C2_6 F2_6 167.1(6) . . . . ?
C4_6 C1_6 C2_6 F2_6 -74.1(8) . . . . ?
C3_6 C1_6 C2_6 F2_6 44.1(8) . . . . ?
O1_6 C1_6 C2_6 F1_6 -72.8(7) . . . . ?
C4_6 C1_6 C2_6 F1_6 46.0(7) . . . . ?
C3_6 C1_6 C2_6 F1_6 164.2(6) . . . . ?
O1_6 C1_6 C3_6 F4_6 37.0(9) . . . . ?
C4_6 C1_6 C3_6 F4_6 -82.9(8) . . . . ?
C2_6 C1_6 C3_6 F4_6 158.8(6) . . . . ?
O1_6 C1_6 C3_6 F6_6 160.0(6) . . . . ?
C4_6 C1_6 C3_6 F6_6 40.1(8) . . . . ?
C2_6 C1_6 C3_6 F6_6 -78.2(8) . . . . ?
O1_6 C1_6 C3_6 F5_6 -79.5(7) . . . . ?
C4_6 C1_6 C3_6 F5_6 160.6(6) . . . . ?
C2_6 C1_6 C3_6 F5_6 42.3(7) . . . . ?
O1_6 C1_6 C4_6 F9_6 45.0(8) . . . . ?
C3_6 C1_6 C4_6 F9_6 167.2(6) . . . . ?
C2_6 C1_6 C4_6 F9_6 -75.0(7) . . . . ?
O1_6 C1_6 C4_6 F7_6 -74.4(7) . . . . ?
C3_6 C1_6 C4_6 F7_6 47.9(8) . . . . ?
C2_6 C1_6 C4_6 F7_6 165.7(6) . . . . ?
O1_6 C1_6 C4_6 F8_6 164.3(6) . . . . ?
C3_6 C1_6 C4_6 F8_6 -73.5(7) . . . . ?
C2_6 C1_6 C4_6 F8_6 44.3(8) . . . . ?
Al2 O1_5 C1_5 C3_5 66.0(19) . . . . ?
Al2 O1_5 C1_5 C4_5 -173.5(16) . . . . ?
Al2 O1_5 C1_5 C2_5 -57.0(19) . . . . ?
O1_5 C1_5 C2_5 F1_5 -40.7(10) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.3(6) . . . . ?
C4_5 C1_5 C2_5 F1_5 75.9(8) . . . . ?
O1_5 C1_5 C2_5 F2_5 -162.2(8) . . . . ?
C3_5 C1_5 C2_5 F2_5 74.2(8) . . . . ?
C4_5 C1_5 C2_5 F2_5 -45.6(8) . . . . ?
O1_5 C1_5 C2_5 F3_5 78.3(8) . . . . ?
C3_5 C1_5 C2_5 F3_5 -45.3(7) . . . . ?
C4_5 C1_5 C2_5 F3_5 -165.0(6) . . . . ?
O1_5 C1_5 C3_5 F5_5 -43.6(10) . . . . ?
C4_5 C1_5 C3_5 F5_5 -162.7(7) . . . . ?
C2_5 C1_5 C3_5 F5_5 79.2(8) . . . . ?
O1_5 C1_5 C3_5 F6_5 -162.1(8) . . . . ?
C4_5 C1_5 C3_5 F6_5 78.8(8) . . . . ?
C2_5 C1_5 C3_5 F6_5 -39.3(9) . . . . ?
O1_5 C1_5 C3_5 F4_5 73.3(9) . . . . ?
C4_5 C1_5 C3_5 F4_5 -45.8(8) . . . . ?
C2_5 C1_5 C3_5 F4_5 -163.9(6) . . . . ?
O1_5 C1_5 C4_5 F8_5 -167.3(9) . . . . ?
C3_5 C1_5 C4_5 F8_5 -45.8(9) . . . . ?
C2_5 C1_5 C4_5 F8_5 74.4(9) . . . . ?
O1_5 C1_5 C4_5 F7_5 -47.6(10) . . . . ?
C3_5 C1_5 C4_5 F7_5 73.9(8) . . . . ?
C2_5 C1_5 C4_5 F7_5 -166.0(7) . . . . ?
O1_5 C1_5 C4_5 F9_5 71.4(9) . . . . ?
C3_5 C1_5 C4_5 F9_5 -167.1(6) . . . . ?
C2_5 C1_5 C4_5 F9_5 -47.0(8) . . . . ?
Al2 O1_4 C1_4 C2_4 46.5(10) . . . . ?
Al2 O1_4 C1_4 C3_4 167.0(6) . . . . ?
Al2 O1_4 C1_4 C4_4 -74.6(9) . . . . ?
O1_4 C1_4 C2_4 F1_4 -41.8(7) . . . . ?
C3_4 C1_4 C2_4 F1_4 -160.5(6) . . . . ?
C4_4 C1_4 C2_4 F1_4 78.8(7) . . . . ?
O1_4 C1_4 C2_4 F3_4 78.9(7) . . . . ?
C3_4 C1_4 C2_4 F3_4 -39.8(8) . . . . ?
C4_4 C1_4 C2_4 F3_4 -160.5(6) . . . . ?
O1_4 C1_4 C2_4 F2_4 -162.1(5) . . . . ?
C3_4 C1_4 C2_4 F2_4 79.1(7) . . . . ?
C4_4 C1_4 C2_4 F2_4 -41.5(8) . . . . ?
O1_4 C1_4 C3_4 F5_4 -44.2(7) . . . . ?
C2_4 C1_4 C3_4 F5_4 76.7(7) . . . . ?
C4_4 C1_4 C3_4 F5_4 -162.3(6) . . . . ?
O1_4 C1_4 C3_4 F4_4 76.1(7) . . . . ?
C2_4 C1_4 C3_4 F4_4 -163.0(6) . . . . ?
C4_4 C1_4 C3_4 F4_4 -42.0(8) . . . . ?
O1_4 C1_4 C3_4 F6_4 -164.0(5) . . . . ?
C2_4 C1_4 C3_4 F6_4 -43.1(8) . . . . ?
C4_4 C1_4 C3_4 F6_4 77.9(7) . . . . ?
O1_4 C1_4 C4_4 F9_4 76.7(7) . . . . ?
C2_4 C1_4 C4_4 F9_4 -45.1(8) . . . . ?
C3_4 C1_4 C4_4 F9_4 -166.2(6) . . . . ?
O1_4 C1_4 C4_4 F8_4 -163.0(7) . . . . ?
C2_4 C1_4 C4_4 F8_4 75.2(8) . . . . ?
C3_4 C1_4 C4_4 F8_4 -45.8(9) . . . . ?
O1_4 C1_4 C4_4 F7_4 -43.0(9) . . . . ?
C2_4 C1_4 C4_4 F7_4 -164.8(7) . . . . ?
C3_4 C1_4 C4_4 F7_4 74.1(8) . . . . ?
Al1 O1_3 C1_3 C4_3 -114.2(7) . . . . ?
Al1 O1_3 C1_3 C3_3 124.8(7) . . . . ?
Al1 O1_3 C1_3 C2_3 6.2(10) . . . . ?
O1_3 C1_3 C2_3 F1_3 -38.9(7) . . . . ?
C4_3 C1_3 C2_3 F1_3 81.5(6) . . . . ?
C3_3 C1_3 C2_3 F1_3 -158.8(6) . . . . ?
O1_3 C1_3 C2_3 F2_3 -162.5(5) . . . . ?
C4_3 C1_3 C2_3 F2_3 -42.0(7) . . . . ?
C3_3 C1_3 C2_3 F2_3 77.7(6) . . . . ?
O1_3 C1_3 C2_3 F3_3 77.7(6) . . . . ?
C4_3 C1_3 C2_3 F3_3 -161.8(5) . . . . ?
C3_3 C1_3 C2_3 F3_3 -42.1(6) . . . . ?
O1_3 C1_3 C3_3 F5_3 -43.6(7) . . . . ?
C4_3 C1_3 C3_3 F5_3 -163.7(5) . . . . ?
C2_3 C1_3 C3_3 F5_3 77.5(6) . . . . ?
O1_3 C1_3 C3_3 F6_3 -167.0(5) . . . . ?
C4_3 C1_3 C3_3 F6_3 72.9(7) . . . . ?
C2_3 C1_3 C3_3 F6_3 -45.9(7) . . . . ?
O1_3 C1_3 C3_3 F4_3 74.0(6) . . . . ?
C4_3 C1_3 C3_3 F4_3 -46.1(6) . . . . ?
C2_3 C1_3 C3_3 F4_3 -164.9(5) . . . . ?
O1_3 C1_3 C4_3 F7_3 -43.7(7) . . . . ?
C3_3 C1_3 C4_3 F7_3 76.6(6) . . . . ?
C2_3 C1_3 C4_3 F7_3 -165.7(6) . . . . ?
O1_3 C1_3 C4_3 F8_3 -164.2(6) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.8(8) . . . . ?
C2_3 C1_3 C4_3 F8_3 73.9(7) . . . . ?
O1_3 C1_3 C4_3 F9_3 75.9(6) . . . . ?
C3_3 C1_3 C4_3 F9_3 -163.8(4) . . . . ?
C2_3 C1_3 C4_3 F9_3 -46.1(6) . . . . ?
Al1 O1_2 C1_2 C3_2 51(3) . . . . ?
Al1 O1_2 C1_2 C2_2 -73(2) . . . . ?
Al1 O1_2 C1_2 C4_2 167.8(18) . . . . ?
O1_2 C1_2 C2_2 F2_2 -148.7(14) . . . . ?
C3_2 C1_2 C2_2 F2_2 86.7(15) . . . . ?
C4_2 C1_2 C2_2 F2_2 -33.3(17) . . . . ?
O1_2 C1_2 C2_2 F1_2 -19.6(16) . . . . ?
C3_2 C1_2 C2_2 F1_2 -144.2(13) . . . . ?
C4_2 C1_2 C2_2 F1_2 95.8(15) . . . . ?
O1_2 C1_2 C2_2 F3_2 94.0(14) . . . . ?
C3_2 C1_2 C2_2 F3_2 -30.6(15) . . . . ?
C4_2 C1_2 C2_2 F3_2 -150.6(13) . . . . ?
O1_2 C1_2 C3_2 F5_2 -46.3(13) . . . . ?
C2_2 C1_2 C3_2 F5_2 79.8(12) . . . . ?
C4_2 C1_2 C3_2 F5_2 -159.4(11) . . . . ?
O1_2 C1_2 C3_2 F4_2 73.1(13) . . . . ?
C2_2 C1_2 C3_2 F4_2 -160.9(11) . . . . ?
C4_2 C1_2 C3_2 F4_2 -40.1(14) . . . . ?
O1_2 C1_2 C3_2 F6_2 -164.1(10) . . . . ?
C2_2 C1_2 C3_2 F6_2 -38.0(13) . . . . ?
C4_2 C1_2 C3_2 F6_2 82.8(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 -159.8(14) . . . . ?
C3_2 C1_2 C4_2 F8_2 -41.5(16) . . . . ?
C2_2 C1_2 C4_2 F8_2 78.3(16) . . . . ?
O1_2 C1_2 C4_2 F9_2 81.9(15) . . . . ?
C3_2 C1_2 C4_2 F9_2 -159.8(13) . . . . ?
C2_2 C1_2 C4_2 F9_2 -40.0(17) . . . . ?
O1_2 C1_2 C4_2 F7_2 -41.5(16) . . . . ?
C3_2 C1_2 C4_2 F7_2 76.8(16) . . . . ?
C2_2 C1_2 C4_2 F7_2 -163.4(15) . . . . ?
Al1 O1_1 C1_1 C4_1 -35(2) . . . . ?
Al1 O1_1 C1_1 C2_1 90.7(17) . . . . ?
Al1 O1_1 C1_1 C3_1 -158.0(12) . . . . ?
O1_1 C1_1 C2_1 F1_1 -58.1(16) . . . . ?
C4_1 C1_1 C2_1 F1_1 68.6(16) . . . . ?
C3_1 C1_1 C2_1 F1_1 -173.2(13) . . . . ?
O1_1 C1_1 C2_1 F2_1 177.3(16) . . . . ?
C4_1 C1_1 C2_1 F2_1 -56.0(19) . . . . ?
C3_1 C1_1 C2_1 F2_1 62.2(18) . . . . ?
O1_1 C1_1 C2_1 F3_1 58.0(13) . . . . ?
C4_1 C1_1 C2_1 F3_1 -175.3(11) . . . . ?
C3_1 C1_1 C2_1 F3_1 -57.0(13) . . . . ?
O1_1 C1_1 C3_1 F5_1 -72.4(13) . . . . ?
C4_1 C1_1 C3_1 F5_1 162.5(11) . . . . ?
C2_1 C1_1 C3_1 F5_1 43.0(14) . . . . ?
O1_1 C1_1 C3_1 F6_1 164.7(11) . . . . ?
C4_1 C1_1 C3_1 F6_1 39.6(15) . . . . ?
C2_1 C1_1 C3_1 F6_1 -79.9(14) . . . . ?
O1_1 C1_1 C3_1 F4_1 46.9(15) . . . . ?
C4_1 C1_1 C3_1 F4_1 -78.2(14) . . . . ?
C2_1 C1_1 C3_1 F4_1 162.3(12) . . . . ?
O1_1 C1_1 C4_1 F7_1 -76.7(13) . . . . ?
C2_1 C1_1 C4_1 F7_1 159.2(11) . . . . ?
C3_1 C1_1 C4_1 F7_1 45.4(14) . . . . ?
O1_1 C1_1 C4_1 F8_1 163.0(13) . . . . ?
C2_1 C1_1 C4_1 F8_1 38.9(16) . . . . ?
C3_1 C1_1 C4_1 F8_1 -75.0(15) . . . . ?
O1_1 C1_1 C4_1 F9_1 40.6(14) . . . . ?
C2_1 C1_1 C4_1 F9_1 -83.6(13) . . . . ?
C3_1 C1_1 C4_1 F9_1 162.6(10) . . . . ?
C1_2 O1_2 Al1 O1_1 151(2) . . . . ?
C1_2 O1_2 Al1 O1_3 -80(2) . . . . ?
C1_2 O1_2 Al1 F5 40(2) . . . . ?
C1_1 O1_1 Al1 O1_2 -171.8(16) . . . . ?
C1_1 O1_1 Al1 O1_3 64.1(16) . . . . ?
C1_1 O1_1 Al1 F5 -60.4(16) . . . . ?
C1_3 O1_3 Al1 O1_2 -54.4(9) . . . . ?
C1_3 O1_3 Al1 O1_1 50.7(9) . . . . ?
C1_3 O1_3 Al1 F5 179.5(7) . . . . ?
C1_7 O1_7 Al1 F5 98.9(15) . . . . ?
C1_7 O1_7 Al1 O1_11 -24.7(17) . . . . ?
C1_11 O1_11 Al1 O1_7 26(2) . . . . ?
C1_11 O1_11 Al1 F5 -97.0(18) . . . . ?
C1_9 O1_9 Al2 O1_8 75(4) . . . . ?
C1_9 O1_9 Al2 F5 -55(4) . . . . ?
C1_9 O1_9 Al2 O1_10 -162(3) . . . . ?
C1_4 O1_4 Al2 O1_5 -71.4(9) . . . . ?
C1_4 O1_4 Al2 O1_6 157.7(7) . . . . ?
C1_4 O1_4 Al2 F5 44.1(8) . . . . ?
C1_8 O1_8 Al2 O1_9 58(9) . . . . ?
C1_8 O1_8 Al2 F5 -167(7) . . . . ?
C1_8 O1_8 Al2 O1_10 -67(8) . . . . ?
C1_5 O1_5 Al2 O1_4 -75.3(19) . . . . ?
C1_5 O1_5 Al2 O1_6 55.7(19) . . . . ?
C1_5 O1_5 Al2 F5 164.7(17) . . . . ?
C1_6 O1_6 Al2 O1_4 -6.7(9) . . . . ?
C1_6 O1_6 Al2 O1_5 -142.3(9) . . . . ?
C1_6 O1_6 Al2 F5 110.5(8) . . . . ?
C1_10 O1_10 Al2 O1_9 14(4) . . . . ?
C1_10 O1_10 Al2 O1_8 148(4) . . . . ?
C1_10 O1_10 Al2 F5 -107(4) . . . . ?
F1 C1 C02J C02S -175.5(11) . . . . ?
C031 C1 C02J C02S 4.9(15) . . . . ?
C02X C024 C02M C02B 1.1(16) . . . . ?
Ag8 C024 C02M C02B 86.2(9) . . . . ?
Ag1 C024 C02M C02B 86.8(10) . . . . ?
C02X C024 C02M Ag3 -86.1(12) . . . . ?
C02X C024 C02M Ag2 -91.9(11) . . . . ?
C02X C024 C02M Ag1 -85.7(10) . . . . ?
C02X C024 C02M Ag8 -85.1(10) . . . . ?
C02X C024 C02M Ag4 -67.8(13) . . . . ?
C02P C02B C02M C024 0.9(15) . . . . ?
Ag4 C02B C02M C024 -110.4(10) . . . . ?
Ag5 C02B C02M C024 -88.0(11) . . . . ?
Ag3 C02B C02M C024 -112.0(10) . . . . ?
Ag7 C02B C02M C024 -70.5(11) . . . . ?
Ag2 C02B C02M C024 -99.5(10) . . . . ?
C02P C02B C02M Ag3 113.0(10) . . . . ?
C02P C02B C02M Ag2 100.4(9) . . . . ?
C02P C02B C02M Ag1 83.1(9) . . . . ?
C02P C02B C02M Ag8 75.3(10) . . . . ?
C02P C02B C02M Ag4 111.4(10) . . . . ?
C02M C02B C02P F3 174.6(9) . . . . ?
Ag4 C02B C02P F3 -85.4(11) . . . . ?
Ag5 C02B C02P F3 -90.5(10) . . . . ?
Ag3 C02B C02P F3 -103.5(11) . . . . ?
Ag7 C02B C02P F3 -103.6(11) . . . . ?
Ag2 C02B C02P F3 -118.5(9) . . . . ?
C02M C02B C02P C027 -0.9(15) . . . . ?
Ag4 C02B C02P C027 99.1(11) . . . . ?
Ag5 C02B C02P C027 94.0(10) . . . . ?
Ag3 C02B C02P C027 81.0(13) . . . . ?
Ag7 C02B C02P C027 80.9(11) . . . . ?
Ag2 C02B C02P C027 66.0(12) . . . . ?
C02M C02B C02P Ag7 -81.8(10) . . . . ?
C02M C02B C02P Ag5 -94.9(10) . . . . ?
F4 C027 C02P C02B 177.4(10) . . . . ?
C02X C027 C02P C02B -1.1(16) . . . . ?
F4 C027 C02P F3 1.5(14) . . . . ?
C02X C027 C02P F3 -177.0(10) . . . . ?
F4 C027 C02P Ag7 -110.6(11) . . . . ?
C02X C027 C02P Ag7 70.9(12) . . . . ?
F4 C027 C02P Ag5 -115.8(10) . . . . ?
C02X C027 C02P Ag5 65.7(12) . . . . ?
C1 C02J C02S C02Y -0.6(14) . . . . ?
C1 C02J C02S Ag6 -71.1(13) . . . . ?
C1 C02J C02S Ag8 -86.6(9) . . . . ?
C1 C02J C02S Ag1 -80.0(9) . . . . ?
C1 C02J C02S Ag2 -72.6(9) . . . . ?
C02M C024 C02X C027 -3.1(17) . . . . ?
Ag8 C024 C02X C027 -77.1(11) . . . . ?
Ag1 C024 C02X C027 -69.8(12) . . . . ?
C02P C027 C02X C024 3.1(17) . . . . ?
F4 C027 C02X C024 -175.4(11) . . . . ?
C02J C02S C02Y C030 -2.4(14) . . . . ?
Ag6 C02S C02Y C030 107.4(11) . . . . ?
Ag8 C02S C02Y C030 93.0(10) . . . . ?
Ag1 C02S C02Y C030 83.9(9) . . . . ?
Ag2 C02S C02Y C030 68.3(9) . . . . ?
C02J C02S C02Y Ag6 -109.8(10) . . . . ?
C02J C02S C02Y Ag7 -90.3(11) . . . . ?
C02J C02S C02Y Ag5 -70.8(10) . . . . ?
C02J C02S C02Y Ag8 -95.5(8) . . . . ?
C02J C02S C02Y Ag1 -86.4(8) . . . . ?
C02S C02Y C030 C031 0.7(16) . . . . ?
Ag6 C02Y C030 C031 95.1(13) . . . . ?
Ag7 C02Y C030 C031 102.7(12) . . . . ?
Ag5 C02Y C030 C031 93.2(12) . . . . ?
Ag8 C02Y C030 C031 71.3(11) . . . . ?
Ag1 C02Y C030 C031 69.4(11) . . . . ?
C02S C02Y C030 Ag5 -92.5(10) . . . . ?
C02S C02Y C030 Ag7 -102.0(11) . . . . ?
C02S C02Y C030 Ag4 -75.6(10) . . . . ?
C02Y C030 C031 F2 174.7(11) . . . . ?
Ag5 C030 C031 F2 -102.5(12) . . . . ?
Ag7 C030 C031 F2 -114.4(12) . . . . ?
Ag4 C030 C031 F2 -99.9(11) . . . . ?
C02Y C030 C031 C1 3.9(17) . . . . ?
Ag5 C030 C031 C1 86.7(11) . . . . ?
Ag7 C030 C031 C1 74.8(13) . . . . ?
Ag4 C030 C031 C1 89.3(11) . . . . ?
C02Y C030 C031 Ag4 -85.5(10) . . . . ?
C02Y C030 C031 Ag5 -82.8(11) . . . . ?
F1 C1 C031 F2 2.7(17) . . . . ?
C02J C1 C031 F2 -177.7(10) . . . . ?
F1 C1 C031 C030 173.7(12) . . . . ?
C02J C1 C031 C030 -6.7(17) . . . . ?
F1 C1 C031 Ag4 -112.0(11) . . . . ?
C02J C1 C031 Ag4 67.6(10) . . . . ?
F1 C1 C031 Ag5 -130.3(11) . . . . ?
C02J C1 C031 Ag5 49.3(11) . . . . ?

_refine_diff_density_max         0.942
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.107


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p-1
_database_code_depnum_ccdc_archive 'CCDC 1845817'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 Al2 F55 O6, C18 H12 Ag F6'
_chemical_formula_sum            'C42 H12 Ag Al2 F61 O6'
_chemical_formula_weight         1933.35

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'
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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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, -z'

_cell_length_a                   15.4856(4)
_cell_length_b                   17.6866(5)
_cell_length_c                   22.5679(6)
_cell_angle_alpha                76.0930(10)
_cell_angle_beta                 84.0230(10)
_cell_angle_gamma                81.6170(10)
_cell_volume                     5920.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9913
_cell_measurement_theta_min      4.783
_cell_measurement_theta_max      53.415

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_F_000             3736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.611
_shelx_estimated_absorpt_T_min   0.877
_shelx_estimated_absorpt_T_max   0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6979
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            130364
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.932
_diffrn_reflns_theta_max         26.855
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             25254
_reflns_number_gt                18134
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.37A'
_computing_data_reduction        'SAINT V8.37A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0973P)²+3.1791P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         25254
_refine_ls_number_parameters     2528
_refine_ls_number_restraints     40740
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0555
_refine_ls_wR_factor_ref         0.1604
_refine_ls_wR_factor_gt          0.1448
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      0.801
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.003

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
O1_26 O 0.282(3) 0.213(2) 0.6168(11) 0.011(6) Uani 0.138(8) 1 d D U P A 2
C1_26 C 0.2903(10) 0.1855(10) 0.6776(10) 0.018(4) Uani 0.138(8) 1 d D U P A 2
C2_26 C 0.3652(11) 0.2190(10) 0.6992(9) 0.026(4) Uani 0.138(8) 1 d D U P A 2
F1_26 F 0.4358(11) 0.2178(13) 0.6599(7) 0.038(4) Uani 0.138(8) 1 d D U P A 2
F2_26 F 0.3924(18) 0.1791(13) 0.7533(9) 0.028(5) Uani 0.138(8) 1 d D U P A 2
F3_26 F 0.3396(12) 0.2937(8) 0.7009(10) 0.046(5) Uani 0.138(8) 1 d D U P A 2
C3_26 C 0.2024(11) 0.2076(10) 0.7129(10) 0.019(4) Uani 0.138(8) 1 d D U P A 2
F4_26 F 0.1431(10) 0.1640(10) 0.7064(8) 0.025(4) Uani 0.138(8) 1 d D U P A 2
F5_26 F 0.1718(10) 0.2819(8) 0.6910(7) 0.026(4) Uani 0.138(8) 1 d D U P A 2
F6_26 F 0.212(2) 0.1990(17) 0.7720(9) 0.027(5) Uani 0.138(8) 1 d D U P A 2
C4_26 C 0.3101(12) 0.0947(11) 0.6910(10) 0.022(4) Uani 0.138(8) 1 d D U P A 2
F7_26 F 0.2561(13) 0.0662(12) 0.6622(9) 0.025(4) Uani 0.138(8) 1 d D U P A 2
F8_26 F 0.3014(15) 0.0630(17) 0.7506(9) 0.033(5) Uani 0.138(8) 1 d D U P A 2
F9_26 F 0.3917(10) 0.0741(13) 0.6707(9) 0.027(4) Uani 0.138(8) 1 d D U P A 2
O1_25 O 0.2896(5) 0.2070(4) 0.6149(2) 0.0243(15) Uani 0.862(8) 1 d D U P A 1
C1_25 C 0.2986(3) 0.1829(3) 0.6759(2) 0.0278(10) Uani 0.862(8) 1 d D U P A 1
C2_25 C 0.3799(4) 0.2134(3) 0.6924(2) 0.0462(14) Uani 0.862(8) 1 d D U P A 1
F1_25 F 0.4534(2) 0.1745(3) 0.67359(16) 0.0627(11) Uani 0.862(8) 1 d D U P A 1
F2_25 F 0.3822(4) 0.2069(3) 0.75235(18) 0.0685(17) Uani 0.862(8) 1 d D U P A 1
F3_25 F 0.3807(3) 0.28888(19) 0.66443(15) 0.0656(13) Uani 0.862(8) 1 d D U P A
1
C3_25 C 0.2167(4) 0.2126(3) 0.7131(2) 0.0435(13) Uani 0.862(8) 1 d D U P A 1
F4_25 F 0.1445(2) 0.2027(3) 0.69063(16) 0.0597(12) Uani 0.862(8) 1 d D U P A 1
F5_25 F 0.2135(4) 0.28983(19) 0.70855(15) 0.0689(13) Uani 0.862(8) 1 d D U P A
1
F6_25 F 0.2134(4) 0.1768(3) 0.77208(18) 0.0510(15) Uani 0.862(8) 1 d D U P A 1
C4_25 C 0.3117(3) 0.0916(3) 0.6908(2) 0.0352(12) Uani 0.862(8) 1 d D U P A 1
F7_25 F 0.2383(3) 0.0647(3) 0.6844(2) 0.0466(11) Uani 0.862(8) 1 d D U P A 1
F8_25 F 0.3331(3) 0.0617(3) 0.74810(17) 0.0505(12) Uani 0.862(8) 1 d D U P A 1
F9_25 F 0.3740(2) 0.0651(2) 0.65347(18) 0.0413(9) Uani 0.862(8) 1 d D U P A 1
O1_24 O 0.210(3) 0.286(2) 0.3803(10) 0.034(8) Uani 0.172(4) 1 d D U P B 2
C1_24 C 0.2017(10) 0.3093(9) 0.3194(10) 0.037(4) Uani 0.172(4) 1 d D U P B 2
C2_24 C 0.1909(11) 0.4011(10) 0.3006(9) 0.040(4) Uani 0.172(4) 1 d D U P B 2
F1_24 F 0.1315(12) 0.4279(9) 0.3395(7) 0.055(4) Uani 0.172(4) 1 d D U P B 2
F2_24 F 0.1599(13) 0.4214(15) 0.2448(8) 0.043(5) Uani 0.172(4) 1 d D U P B 2
F3_24 F 0.2633(10) 0.4283(11) 0.3077(8) 0.057(4) Uani 0.172(4) 1 d D U P B 2
C3_24 C 0.2848(11) 0.2800(11) 0.2833(9) 0.054(5) Uani 0.172(4) 1 d D U P B 2
F4_24 F 0.2862(13) 0.2038(8) 0.2871(6) 0.075(5) Uani 0.172(4) 1 d D U P B 2
F5_24 F 0.3562(9) 0.2883(13) 0.3079(7) 0.062(5) Uani 0.172(4) 1 d D U P B 2
F6_24 F 0.289(2) 0.3175(16) 0.2246(9) 0.051(7) Uani 0.172(4) 1 d D U P B 2
C4_24 C 0.1188(11) 0.2808(9) 0.3035(8) 0.049(4) Uani 0.172(4) 1 d D U P B 2
F7_24 F 0.1130(12) 0.2072(8) 0.3336(6) 0.054(4) Uani 0.172(4) 1 d D U P B 2
F8_24 F 0.122(2) 0.2756(16) 0.2449(8) 0.065(7) Uani 0.172(4) 1 d D U P B 2
F9_24 F 0.0492(9) 0.3319(10) 0.3147(6) 0.070(4) Uani 0.172(4) 1 d D U P B 2
O1_23 O 0.2158(5) 0.2846(4) 0.3790(2) 0.0198(13) Uani 0.828(4) 1 d D U P B 1
C1_23 C 0.2117(3) 0.3083(3) 0.3174(2) 0.0242(10) Uani 0.828(4) 1 d D U P B 1
C2_23 C 0.1815(4) 0.3984(3) 0.3027(2) 0.0484(15) Uani 0.828(4) 1 d D U P B 1
F1_23 F 0.0982(3) 0.4127(3) 0.32103(16) 0.0720(14) Uani 0.828(4) 1 d D U P B 1
F2_23 F 0.1925(3) 0.4307(3) 0.24285(16) 0.0491(12) Uani 0.828(4) 1 d D U P B 1
F3_23 F 0.2268(3) 0.43438(18) 0.33211(15) 0.0618(11) Uani 0.828(4) 1 d D U P B
1
C3_23 C 0.3034(3) 0.2931(2) 0.28477(19) 0.0272(9) Uani 0.828(4) 1 d D U P B 1
F4_23 F 0.34164(17) 0.22165(15) 0.30862(11) 0.0356(7) Uani 0.828(4) 1 d D U P B
1
F5_23 F 0.35646(19) 0.34212(19) 0.29228(12) 0.0434(8) Uani 0.828(4) 1 d D U P B
1
F6_23 F 0.3009(5) 0.2997(3) 0.22495(18) 0.0389(11) Uani 0.828(4) 1 d D U P B 1
C4_23 C 0.1475(3) 0.2647(3) 0.2944(2) 0.0382(11) Uani 0.828(4) 1 d D U P B 1
F7_23 F 0.1832(2) 0.19101(17) 0.29370(14) 0.0583(10) Uani 0.828(4) 1 d D U P B
1
F8_23 F 0.1235(4) 0.2992(3) 0.23821(17) 0.0540(13) Uani 0.828(4) 1 d D U P B 1
F9_23 F 0.0749(2) 0.2606(3) 0.33164(14) 0.0709(13) Uani 0.828(4) 1 d D U P B 1
O1_22 O -0.0137(14) 0.5609(12) 0.1012(7) 0.038(4) Uani 0.419(5) 1 d D U P C 2
C1_22 C -0.0632(7) 0.5750(5) 0.1513(5) 0.022(2) Uani 0.419(5) 1 d D U P C 2
C2_22 C -0.0662(5) 0.6630(4) 0.1504(3) 0.0296(17) Uani 0.419(5) 1 d D U P C 2
F1_22 F -0.1209(7) 0.7080(6) 0.1111(6) 0.035(2) Uani 0.419(5) 1 d D U P C 2
F2_22 F -0.0878(6) 0.6784(5) 0.2050(3) 0.0442(18) Uani 0.419(5) 1 d D U P C 2
F3_22 F 0.0109(6) 0.6880(6) 0.1322(7) 0.037(2) Uani 0.419(5) 1 d D U P C 2
C3_22 C -0.0223(5) 0.5240(4) 0.2105(3) 0.0310(17) Uani 0.419(5) 1 d D U P C 2
F4_22 F 0.0033(8) 0.4515(6) 0.2063(8) 0.039(3) Uani 0.419(5) 1 d D U P C 2
F5_22 F 0.0449(9) 0.5548(9) 0.2232(8) 0.035(2) Uani 0.419(5) 1 d D U P C 2
F6_22 F -0.0805(5) 0.5198(6) 0.2594(3) 0.046(2) Uani 0.419(5) 1 d D U P C 2
C4_22 C -0.1575(5) 0.5572(5) 0.1500(3) 0.0380(19) Uani 0.419(5) 1 d D U P C 2
F7_22 F -0.1619(8) 0.4799(5) 0.1670(6) 0.047(3) Uani 0.419(5) 1 d D U P C 2
F8_22 F -0.2154(7) 0.5915(6) 0.1863(6) 0.055(3) Uani 0.419(5) 1 d D U P C 2
F9_22 F -0.1826(12) 0.5810(10) 0.0927(5) 0.049(4) Uani 0.419(5) 1 d D U P C 2
O1_21 O -0.0229(9) 0.5485(8) 0.1041(5) 0.027(2) Uani 0.581(5) 1 d D U P C 1
C1_21 C -0.0688(5) 0.5701(4) 0.1526(4) 0.0230(18) Uani 0.581(5) 1 d D U P C 1
C2_21 C -0.0136(3) 0.6151(3) 0.1832(2) 0.0257(12) Uani 0.581(5) 1 d D U P C 1
F1_21 F 0.0259(5) 0.6672(5) 0.1416(5) 0.0353(16) Uani 0.581(5) 1 d D U P C 1
F2_21 F -0.0618(4) 0.6510(3) 0.2230(2) 0.0428(13) Uani 0.581(5) 1 d D U P C 1
F3_21 F 0.0495(7) 0.5651(7) 0.2135(6) 0.045(3) Uani 0.581(5) 1 d D U P C 1
C3_21 C -0.0861(4) 0.4919(3) 0.1988(2) 0.0312(13) Uani 0.581(5) 1 d D U P C 1
F4_21 F -0.1505(5) 0.4614(4) 0.1817(4) 0.0384(15) Uani 0.581(5) 1 d D U P C 1
F5_21 F -0.0168(5) 0.4395(4) 0.2029(6) 0.0354(17) Uani 0.581(5) 1 d D U P C 1
F6_21 F -0.1124(4) 0.5029(4) 0.2551(2) 0.0445(14) Uani 0.581(5) 1 d D U P C 1
C4_21 C -0.1565(3) 0.6212(3) 0.1368(2) 0.0289(12) Uani 0.581(5) 1 d D U P C 1
F7_21 F -0.1952(9) 0.5944(7) 0.0976(5) 0.048(2) Uani 0.581(5) 1 d D U P C 1
F8_21 F -0.2125(5) 0.6215(4) 0.1853(3) 0.0417(14) Uani 0.581(5) 1 d D U P C 1
F9_21 F -0.1442(5) 0.6950(4) 0.1121(4) 0.0360(15) Uani 0.581(5) 1 d D U P C 1
O1_20 O 0.475(2) 0.0931(19) 0.0829(8) 0.024(5) Uani 0.348(4) 1 d D U P D 2
C1_20 C 0.4428(7) 0.0758(6) 0.1423(6) 0.021(3) Uani 0.348(4) 1 d D U P D 2
C2_20 C 0.4847(5) 0.1214(4) 0.1802(3) 0.0231(17) Uani 0.348(4) 1 d D U P D 2
F1_20 F 0.5657(8) 0.0891(9) 0.1924(9) 0.031(3) Uani 0.348(4) 1 d D U P D 2
F2_20 F 0.4403(5) 0.1230(4) 0.2331(2) 0.0357(15) Uani 0.348(4) 1 d D U P D 2
F3_20 F 0.4887(6) 0.1951(5) 0.1494(5) 0.035(2) Uani 0.348(4) 1 d D U P D 2
C3_20 C 0.3424(5) 0.0995(5) 0.1450(3) 0.0281(19) Uani 0.348(4) 1 d D U P D 2
F4_20 F 0.3070(7) 0.0771(6) 0.1017(5) 0.036(2) Uani 0.348(4) 1 d D U P D 2
F5_20 F 0.3201(11) 0.1757(8) 0.1392(11) 0.031(4) Uani 0.348(4) 1 d D U P D 2
F6_20 F 0.3044(4) 0.0651(5) 0.1988(3) 0.0424(17) Uani 0.348(4) 1 d D U P D 2
C4_20 C 0.4638(6) -0.0132(5) 0.1691(4) 0.035(2) Uani 0.348(4) 1 d D U P D 2
F7_20 F 0.4094(10) -0.0531(8) 0.1505(5) 0.047(3) Uani 0.348(4) 1 d D U P D 2
F8_20 F 0.4564(9) -0.0336(8) 0.2297(4) 0.037(3) Uani 0.348(4) 1 d D U P D 2
F9_20 F 0.5460(6) -0.0388(8) 0.1510(7) 0.038(3) Uani 0.348(4) 1 d D U P D 2
O1_19 O 0.4778(10) 0.0971(9) 0.0835(4) 0.019(2) Uani 0.652(4) 1 d D U P D 1
C1_19 C 0.4406(4) 0.0718(4) 0.1409(3) 0.0184(15) Uani 0.652(4) 1 d D U P D 1
C2_19 C 0.5103(3) 0.0243(3) 0.18449(19) 0.0233(10) Uani 0.652(4) 1 d D U P D 1
F1_19 F 0.5654(3) -0.0231(4) 0.1563(3) 0.0281(11) Uani 0.652(4) 1 d D U P D 1
F2_19 F 0.4764(4) -0.0185(4) 0.2356(2) 0.0307(12) Uani 0.652(4) 1 d D U P D 1
F3_19 F 0.5582(5) 0.0716(5) 0.2005(5) 0.0333(18) Uani 0.652(4) 1 d D U P D 1
C3_19 C 0.3979(3) 0.1450(3) 0.1646(2) 0.0275(11) Uani 0.652(4) 1 d D U P D 1
F4_19 F 0.3251(7) 0.1765(4) 0.1368(6) 0.040(3) Uani 0.652(4) 1 d D U P D 1
F5_19 F 0.4504(3) 0.2000(3) 0.1526(3) 0.0343(11) Uani 0.652(4) 1 d D U P D 1
F6_19 F 0.3795(3) 0.12627(19) 0.22505(13) 0.0431(10) Uani 0.652(4) 1 d D U P D
1
C4_19 C 0.3700(3) 0.0194(3) 0.1388(2) 0.0260(10) Uani 0.652(4) 1 d D U P D 1
F7_19 F 0.3197(4) 0.0507(3) 0.0937(2) 0.0309(11) Uani 0.652(4) 1 d D U P D 1
F8_19 F 0.3180(2) 0.0062(2) 0.19074(14) 0.0414(9) Uani 0.652(4) 1 d D U P D 1
F9_19 F 0.4079(4) -0.0506(4) 0.1306(3) 0.0327(12) Uani 0.652(4) 1 d D U P D 1
O1_18 O 0.52307(14) 0.16029(12) -0.04053(9) 0.0251(5) Uani 1 1 d D U . . .
C1_18 C 0.4689(2) 0.22559(17) -0.06428(13) 0.0246(6) Uani 1 1 d D U . . .
C2_18 C 0.5114(2) 0.26474(18) -0.12737(14) 0.0327(7) Uani 1 1 d D U . . .
F1_18 F 0.57635(15) 0.30309(12) -0.12121(10) 0.0483(6) Uani 1 1 d D U . . .
F2_18 F 0.45410(15) 0.31574(11) -0.16214(8) 0.0446(5) Uani 1 1 d D U . . .
F3_18 F 0.54546(15) 0.21098(11) -0.15831(8) 0.0423(5) Uani 1 1 d D U . . .
C3_18 C 0.3793(2) 0.2028(2) -0.07287(14) 0.0339(8) Uani 1 1 d D U . . .
F4_18 F 0.35269(13) 0.15124(12) -0.02332(9) 0.0394(5) Uani 1 1 d D U . . .
F5_18 F 0.38410(16) 0.16948(14) -0.11998(9) 0.0497(6) Uani 1 1 d D U . . .
F6_18 F 0.31745(15) 0.26435(14) -0.08240(10) 0.0532(6) Uani 1 1 d D U . . .
C4_18 C 0.4562(3) 0.28471(19) -0.02211(15) 0.0366(8) Uani 1 1 d D U . . .
F7_18 F 0.39819(15) 0.26447(12) 0.02480(8) 0.0432(5) Uani 1 1 d D U . . .
F8_18 F 0.42793(18) 0.35742(11) -0.05214(10) 0.0559(7) Uani 1 1 d D U . . .
F9_18 F 0.53087(17) 0.28644(13) 0.00104(11) 0.0529(6) Uani 1 1 d D U . . .
O1_17 O 0.64599(13) 0.04458(12) 0.02387(9) 0.0231(4) Uani 1 1 d D U . . .
C1_17 C 0.7269(2) 0.06440(18) 0.02555(13) 0.0261(7) Uani 1 1 d D U . . .
C2_17 C 0.7546(2) 0.1198(2) -0.03629(15) 0.0377(8) Uani 1 1 d D U . . .
F1_17 F 0.73389(14) 0.09478(13) -0.08342(8) 0.0417(5) Uani 1 1 d D U . . .
F2_17 F 0.84003(14) 0.12418(14) -0.04311(10) 0.0481(6) Uani 1 1 d D U . . .
F3_17 F 0.71194(15) 0.19261(12) -0.03992(10) 0.0469(5) Uani 1 1 d D U . . .
C3_17 C 0.7277(2) 0.1064(2) 0.07823(16) 0.0377(8) Uani 1 1 d D U . . .
F4_17 F 0.72750(14) 0.05593(14) 0.13243(9) 0.0444(5) Uani 1 1 d D U . . .
F5_17 F 0.65608(14) 0.15972(12) 0.07823(10) 0.0424(5) Uani 1 1 d D U . . .
F6_17 F 0.79685(15) 0.14592(16) 0.07229(11) 0.0596(7) Uani 1 1 d D U . . .
C4_17 C 0.7922(2) -0.0113(2) 0.03585(16) 0.0386(8) Uani 1 1 d D U . . .
F7_17 F 0.76194(14) -0.06642(13) 0.08111(10) 0.0452(5) Uani 1 1 d D U . . .
F8_17 F 0.86986(13) 0.00047(14) 0.05139(11) 0.0521(6) Uani 1 1 d D U . . .
F9_17 F 0.80662(14) -0.03881(13) -0.01494(10) 0.0477(5) Uani 1 1 d D U . . .
O1_15 O 0.28369(13) 0.13067(11) 0.43328(10) 0.0247(5) Uani 1 1 d D U . . .
C1_15 C 0.3054(2) 0.05176(16) 0.44583(13) 0.0236(6) Uani 1 1 d D U . . .
C2_15 C 0.3798(2) 0.03184(19) 0.39933(16) 0.0378(8) Uani 1 1 d D U . . .
F1_15 F 0.34751(18) 0.03828(13) 0.34506(9) 0.0562(6) Uani 1 1 d D U . . .
F2_15 F 0.42031(15) -0.04085(11) 0.41550(11) 0.0490(6) Uani 1 1 d D U . . .
F3_15 F 0.43873(15) 0.08046(12) 0.39041(13) 0.0592(7) Uani 1 1 d D U . . .
C3_15 C 0.3357(3) 0.0230(2) 0.51194(16) 0.0409(9) Uani 1 1 d D U . . .
F4_15 F 0.28255(17) 0.05717(14) 0.54984(9) 0.0553(6) Uani 1 1 d D U . . .
F5_15 F 0.41546(17) 0.04142(16) 0.51402(13) 0.0681(7) Uani 1 1 d D U . . .
F6_15 F 0.33919(18) -0.05421(13) 0.53236(10) 0.0576(7) Uani 1 1 d D U . . .
C4_15 C 0.2263(2) 0.0092(2) 0.44202(16) 0.0384(8) Uani 1 1 d D U . . .
F7_15 F 0.17091(14) 0.00581(12) 0.49146(10) 0.0473(6) Uani 1 1 d D U . . .
F8_15 F 0.25188(17) -0.06422(13) 0.43630(12) 0.0567(7) Uani 1 1 d D U . . .
F9_15 F 0.18128(16) 0.04703(16) 0.39438(11) 0.0588(7) Uani 1 1 d D U . . .
O1_14 O 0.11187(13) 0.18163(12) 0.47078(9) 0.0220(4) Uani 1 1 d D U . . .
C1_14 C 0.03368(19) 0.19478(17) 0.50168(13) 0.0229(6) Uani 1 1 d D U . . .
C2_14 C -0.0251(2) 0.1336(2) 0.49498(16) 0.0343(8) Uani 1 1 d D U . . .
F1_14 F -0.01747(13) 0.12362(12) 0.43854(9) 0.0376(5) Uani 1 1 d D U . . .
F2_14 F -0.11009(13) 0.15754(13) 0.50786(10) 0.0439(5) Uani 1 1 d D U . . .
F3_14 F -0.00277(14) 0.06476(11) 0.53396(10) 0.0431(5) Uani 1 1 d D U . . .
C3_14 C 0.0475(2) 0.1866(2) 0.56966(15) 0.0328(7) Uani 1 1 d D U . . .
F4_14 F 0.07706(13) 0.25191(12) 0.57679(8) 0.0355(5) Uani 1 1 d D U . . .
F5_14 F 0.10449(13) 0.12434(12) 0.59003(8) 0.0354(4) Uani 1 1 d D U . . .
F6_14 F -0.02745(13) 0.17741(13) 0.60565(9) 0.0407(5) Uani 1 1 d D U . . .
C4_14 C -0.0121(2) 0.27897(19) 0.47447(15) 0.0334(7) Uani 1 1 d D U . . .
F7_14 F 0.04637(13) 0.33005(11) 0.46215(10) 0.0388(5) Uani 1 1 d D U . . .
F8_14 F -0.07418(14) 0.30340(12) 0.51399(10) 0.0463(5) Uani 1 1 d D U . . .
F9_14 F -0.04961(14) 0.28076(13) 0.42321(9) 0.0428(5) Uani 1 1 d D U . . .
O1_12 O 0.38872(13) 0.31614(12) 0.52522(9) 0.0215(4) Uani 1 1 d D U . . .
C1_12 C 0.46592(18) 0.30841(16) 0.49200(12) 0.0205(6) Uani 1 1 d D U . . .
C2_12 C 0.5174(2) 0.3760(2) 0.49624(16) 0.0357(8) Uani 1 1 d D U . . .
F1_12 F 0.48497(16) 0.44331(12) 0.46104(10) 0.0481(6) Uani 1 1 d D U . . .
F2_12 F 0.60217(14) 0.36149(15) 0.47800(11) 0.0556(6) Uani 1 1 d D U . . .
F3_12 F 0.51432(14) 0.38321(13) 0.55372(9) 0.0415(5) Uani 1 1 d D U . . .
C3_12 C 0.5198(2) 0.22813(19) 0.51789(16) 0.0347(8) Uani 1 1 d D U . . .
F4_12 F 0.46713(15) 0.17253(11) 0.53188(10) 0.0443(5) Uani 1 1 d D U . . .
F5_12 F 0.55797(14) 0.22974(13) 0.56769(10) 0.0461(5) Uani 1 1 d D U . . .
F6_12 F 0.58172(15) 0.20836(14) 0.47660(11) 0.0550(6) Uani 1 1 d D U . . .
C4_12 C 0.4487(2) 0.31519(19) 0.42470(14) 0.0309(7) Uani 1 1 d D U . . .
F7_12 F 0.42442(13) 0.24772(12) 0.41842(8) 0.0359(5) Uani 1 1 d D U . . .
F8_12 F 0.52086(14) 0.32937(13) 0.38637(9) 0.0429(5) Uani 1 1 d D U . . .
F9_12 F 0.38710(14) 0.37361(12) 0.40609(8) 0.0391(5) Uani 1 1 d D U . . .
O1_11 O 0.21560(14) 0.36346(11) 0.56674(9) 0.0233(4) Uani 1 1 d D U . . .
C1_11 C 0.1907(2) 0.44190(17) 0.55686(13) 0.0264(7) Uani 1 1 d D U . . .
C2_11 C 0.1974(3) 0.47972(19) 0.48704(15) 0.0386(8) Uani 1 1 d D U . . .
F1_11 F 0.28144(17) 0.48570(13) 0.46811(11) 0.0629(7) Uani 1 1 d D U . . .
F2_11 F 0.15526(17) 0.55120(12) 0.47318(10) 0.0539(6) Uani 1 1 d D U . . .
F3_11 F 0.1700(2) 0.43559(15) 0.45617(10) 0.0675(8) Uani 1 1 d D U . . .
C3_11 C 0.0946(2) 0.45466(19) 0.58298(15) 0.0321(7) Uani 1 1 d D U . . .
F4_11 F 0.08230(14) 0.40848(12) 0.63763(9) 0.0435(5) Uani 1 1 d D U . . .
F5_11 F 0.04096(14) 0.43653(14) 0.54783(11) 0.0537(6) Uani 1 1 d D U . . .
F6_11 F 0.06971(15) 0.52846(12) 0.58694(11) 0.0503(6) Uani 1 1 d D U . . .
C4_11 C 0.2488(2) 0.4797(2) 0.59040(17) 0.0410(9) Uani 1 1 d D U . . .
F7_11 F 0.22833(17) 0.46216(15) 0.65134(10) 0.0563(6) Uani 1 1 d D U . . .
F8_11 F 0.23911(17) 0.55733(13) 0.57240(12) 0.0552(6) Uani 1 1 d D U . . .
F9_11 F 0.33234(15) 0.45327(15) 0.58303(13) 0.0590(7) Uani 1 1 d D U . . .
O1_8 O -0.03571(14) 0.66003(12) -0.01207(10) 0.0277(5) Uani 1 1 d D U . . .
C1_8 C -0.0350(2) 0.73004(17) -0.05273(13) 0.0253(6) Uani 1 1 d D U . . .
C2_8 C -0.0065(3) 0.7909(2) -0.02110(18) 0.0422(9) Uani 1 1 d D U . . .
F1_8 F 0.06191(16) 0.75967(13) 0.01098(12) 0.0584(7) Uani 1 1 d D U . . .
F2_8 F 0.01542(16) 0.85489(13) -0.06152(13) 0.0681(8) Uani 1 1 d D U . . .
F3_8 F -0.07053(17) 0.81495(14) 0.01687(12) 0.0610(7) Uani 1 1 d D U . . .
C3_8 C -0.1289(2) 0.75901(19) -0.07283(15) 0.0320(7) Uani 1 1 d D U . . .
F4_8 F -0.14837(15) 0.71964(13) -0.11192(10) 0.0479(6) Uani 1 1 d D U . . .
F5_8 F -0.18729(13) 0.74815(13) -0.02583(10) 0.0453(5) Uani 1 1 d D U . . .
F6_8 F -0.13910(14) 0.83530(11) -0.10055(11) 0.0493(6) Uani 1 1 d D U . . .
C4_8 C 0.0275(3) 0.7230(2) -0.10852(17) 0.0494(10) Uani 1 1 d D U . . .
F7_8 F 0.02129(19) 0.65696(17) -0.12516(12) 0.0735(8) Uani 1 1 d D U . . .
F8_8 F 0.0138(2) 0.78236(18) -0.15645(12) 0.0823(9) Uani 1 1 d D U . . .
F9_8 F 0.11105(16) 0.71960(16) -0.09582(12) 0.0681(7) Uani 1 1 d D U . . .
O1_7 O 0.13187(14) 0.57923(13) 0.01795(10) 0.0321(5) Uani 1 1 d D U . . .
C1_7 C 0.21388(19) 0.55249(17) 0.03472(13) 0.0238(6) Uani 1 1 d D U . . .
C2_7 C 0.2356(2) 0.5942(2) 0.08336(14) 0.0335(8) Uani 1 1 d D U . . .
F1_7 F 0.19961(16) 0.56215(13) 0.13820(8) 0.0472(6) Uani 1 1 d D U . . .
F2_7 F 0.32075(16) 0.58951(15) 0.08808(11) 0.0612(7) Uani 1 1 d D U . . .
F3_7 F 0.20477(17) 0.66913(12) 0.06982(9) 0.0497(6) Uani 1 1 d D U . . .
C3_7 C 0.2770(3) 0.5723(2) -0.02270(16) 0.0476(9) Uani 1 1 d D U . . .
F4_7 F 0.2487(2) 0.55687(17) -0.07086(10) 0.0697(8) Uani 1 1 d D U . . .
F5_7 F 0.28552(16) 0.64873(15) -0.03720(10) 0.0563(6) Uani 1 1 d D U . . .
F6_7 F 0.35706(17) 0.53210(19) -0.01452(13) 0.0866(10) Uani 1 1 d D U . . .
C4_7 C 0.2236(2) 0.4619(2) 0.06153(16) 0.0394(8) Uani 1 1 d D U . . .
F7_7 F 0.2270(2) 0.42449(13) 0.01700(11) 0.0666(8) Uani 1 1 d D U . . .
F8_7 F 0.29419(16) 0.43667(14) 0.09188(11) 0.0567(6) Uani 1 1 d D U . . .
F9_7 F 0.15435(15) 0.44345(12) 0.09919(10) 0.0471(5) Uani 1 1 d D U . . .
C1_6 C -0.0386(2) 0.98482(19) 0.21319(15) 0.0329(7) Uani 1 1 d D U . . .
C2_6 C 0.0349(2) 0.98927(19) 0.17264(15) 0.0331(7) Uani 1 1 d D U . . .
C3_6 C 0.1137(2) 1.00130(19) 0.19052(17) 0.0363(8) Uani 1 1 d D U . . .
H3_6 H 0.1641 1.0045 0.1626 0.044 Uiso 1 1 calc R U . . .
C4_6 C 0.1177(2) 1.0086(2) 0.25058(17) 0.0370(8) Uani 1 1 d D U . . .
H4_6 H 0.1612 1.0419 0.2571 0.044 Uiso 1 1 calc R U . . .
C5_6 C 0.0442(2) 1.0031(2) 0.29122(17) 0.0398(8) Uani 1 1 d D U . . .
H5_6 H 0.0474 1.0075 0.3320 0.048 Uiso 1 1 calc R U . . .
C6_6 C -0.0343(2) 0.9912(2) 0.27222(16) 0.0376(8) Uani 1 1 d D U . . .
H6_6 H -0.0848 0.9874 0.3000 0.045 Uiso 1 1 calc R U . . .
F1_6 F -0.11287(14) 0.97320(14) 0.19391(10) 0.0472(5) Uani 1 1 d D U . . .
F2_6 F 0.02996(15) 0.98023(14) 0.11626(9) 0.0476(5) Uani 1 1 d D U . . .
C1_5 C 0.1391(2) 0.65773(18) 0.29019(15) 0.0319(7) Uani 1 1 d D U . . .
C2_5 C 0.2049(2) 0.66759(19) 0.24423(15) 0.0317(7) Uani 1 1 d D U . . .
C3_5 C 0.2012(2) 0.7325(2) 0.19680(14) 0.0312(7) Uani 1 1 d D U . . .
H3_5 H 0.2478 0.7388 0.1658 0.037 Uiso 1 1 calc R U . . .
C4_5 C 0.1279(2) 0.78933(19) 0.19459(14) 0.0285(7) Uani 1 1 d D U . . .
H4_5 H 0.1111 0.8198 0.1532 0.034 Uiso 1 1 calc R U . . .
C5_5 C 0.0608(2) 0.77937(18) 0.24125(14) 0.0286(7) Uani 1 1 d D U . . .
H5_5 H 0.0112 0.8181 0.2401 0.034 Uiso 1 1 calc R U . . .
C6_5 C 0.0661(2) 0.71274(19) 0.28958(15) 0.0306(7) Uani 1 1 d D U . . .
H6_5 H 0.0205 0.7056 0.3212 0.037 Uiso 1 1 calc R U . . .
F1_5 F 0.14536(17) 0.59369(12) 0.33532(10) 0.0494(6) Uani 1 1 d D U . . .
F2_5 F 0.27511(15) 0.61240(14) 0.24652(11) 0.0511(6) Uani 1 1 d D U . . .
C1_4 C 0.3225(2) 0.6880(2) 0.35319(14) 0.0318(7) Uani 1 1 d D U . . .
C2_4 C 0.3784(2) 0.72749(19) 0.30820(14) 0.0299(7) Uani 1 1 d D U . . .
C3_4 C 0.3679(2) 0.8080(2) 0.29035(14) 0.0304(7) Uani 1 1 d D U . . .
H3_4 H 0.4060 0.8344 0.2589 0.036 Uiso 1 1 calc R U . . .
C4_4 C 0.3008(2) 0.8502(2) 0.31906(15) 0.0338(8) Uani 1 1 d D U . . .
H4_4 H 0.3154 0.9001 0.3266 0.041 Uiso 1 1 calc R U . . .
C5_4 C 0.2436(2) 0.8101(2) 0.36401(16) 0.0405(9) Uani 1 1 d D U . . .
H5_4 H 0.1973 0.8390 0.3835 0.049 Uiso 1 1 calc R U . . .
C6_4 C 0.2539(2) 0.7295(2) 0.38011(16) 0.0398(8) Uani 1 1 d D U . . .
H6_4 H 0.2139 0.7025 0.4097 0.048 Uiso 1 1 calc R U . . .
F1_4 F 0.33665(15) 0.60973(13) 0.36905(9) 0.0458(5) Uani 1 1 d D U . . .
F2_4 F 0.44432(14) 0.68469(12) 0.28288(9) 0.0437(5) Uani 1 1 d D U . . .
C1_3 C 0.6409(2) 0.16044(19) 0.28260(15) 0.0314(7) Uani 1 1 d D U . . .
C2_3 C 0.7076(2) 0.17121(19) 0.23721(14) 0.0303(7) Uani 1 1 d D U . . .
C3_3 C 0.7029(2) 0.2365(2) 0.19017(15) 0.0316(7) Uani 1 1 d D U . . .
H3_3 H 0.7496 0.2439 0.1594 0.038 Uiso 1 1 calc R U . . .
C4_3 C 0.6290(2) 0.29176(19) 0.18788(14) 0.0317(7) Uani 1 1 d D U . . .
H4_3 H 0.6130 0.3234 0.1466 0.038 Uiso 1 1 calc R U . . .
C5_3 C 0.5616(2) 0.2810(2) 0.23401(15) 0.0332(7) Uani 1 1 d D U . . .
H5_3 H 0.5114 0.3192 0.2327 0.040 Uiso 1 1 calc R U . . .
C6_3 C 0.5675(2) 0.21430(19) 0.28209(15) 0.0325(7) Uani 1 1 d D U . . .
H6_3 H 0.5219 0.2064 0.3137 0.039 Uiso 1 1 calc R U . . .
F1_3 F 0.64839(17) 0.09615(12) 0.32827(10) 0.0491(6) Uani 1 1 d D U . . .
F2_3 F 0.77840(15) 0.11676(13) 0.24023(10) 0.0493(6) Uani 1 1 d D U . . .
C1_2 C 0.8223(2) 0.1799(2) 0.35206(15) 0.0357(8) Uani 1 1 d D U . . .
C2_2 C 0.8810(2) 0.2175(2) 0.30774(14) 0.0307(7) Uani 1 1 d D U . . .
C3_2 C 0.8727(2) 0.2977(2) 0.28913(15) 0.0328(7) Uani 1 1 d D U . . .
H3_2 H 0.9122 0.3229 0.2582 0.039 Uiso 1 1 calc R U . . .
C4_2 C 0.8048(2) 0.3417(2) 0.31662(17) 0.0414(9) Uani 1 1 d D U . . .
H4_2 H 0.8212 0.3904 0.3253 0.050 Uiso 1 1 calc R U . . .
C5_2 C 0.7461(2) 0.3034(3) 0.36059(18) 0.0471(10) Uani 1 1 d D U . . .
H5_2 H 0.6998 0.3334 0.3792 0.057 Uiso 1 1 calc R U . . .
C6_2 C 0.7543(2) 0.2226(2) 0.37744(17) 0.0444(9) Uani 1 1 d D U . . .
H6_2 H 0.7130 0.1968 0.4065 0.053 Uiso 1 1 calc R U . . .
F1_2 F 0.83471(15) 0.10126(13) 0.36899(9) 0.0466(5) Uani 1 1 d D U . . .
F2_2 F 0.94716(14) 0.17324(12) 0.28459(9) 0.0417(5) Uani 1 1 d D U . . .
C1_1 C 0.5324(3) 0.4925(2) 0.17424(15) 0.0375(8) Uani 1 1 d D U . . .
C2_1 C 0.4611(2) 0.49025(19) 0.21676(16) 0.0376(8) Uani 1 1 d D U . . .
C3_1 C 0.4692(3) 0.4964(2) 0.27501(16) 0.0430(9) Uani 1 1 d D U . . .
H3_1 H 0.4199 0.4949 0.3039 0.052 Uiso 1 1 calc R U . . .
C4_1 C 0.5506(3) 0.5050(2) 0.29154(17) 0.0446(9) Uani 1 1 d D U . . .
H4_1 H 0.5571 0.5091 0.3320 0.054 Uiso 1 1 calc R U . . .
C5_1 C 0.6225(3) 0.5076(2) 0.24923(17) 0.0409(9) Uani 1 1 d D U . . .
H5_1 H 0.6679 0.5401 0.2540 0.049 Uiso 1 1 calc R U . . .
C6_1 C 0.6137(3) 0.5010(2) 0.18986(17) 0.0402(8) Uani 1 1 d D U . . .
H6_1 H 0.6627 0.5024 0.1607 0.048 Uiso 1 1 calc R U . . .
F1_1 F 0.52096(18) 0.48446(15) 0.11882(10) 0.0578(6) Uani 1 1 d D U . . .
F2_1 F 0.38352(15) 0.48159(14) 0.19996(10) 0.0526(6) Uani 1 1 d D U . . .
Ag01 Ag 0.16888(2) 0.86351(2) 0.26361(2) 0.04095(9) Uani 1 1 d . . . . .
Ag02 Ag 0.67215(2) 0.36256(2) 0.25916(2) 0.04319(9) Uani 1 1 d . . . . .
Al03 Al 0.53720(6) 0.08033(5) 0.01936(4) 0.01595(17) Uani 1 1 d . . . . .
Al04 Al 0.02192(6) 0.57864(5) 0.02925(4) 0.01761(18) Uani 1 1 d . . . . .
Al05 Al 0.29015(6) 0.28696(5) 0.55418(4) 0.01617(17) Uani 1 1 d . . . . .
Al06 Al 0.21141(5) 0.20974(5) 0.44229(4) 0.01599(17) Uani 1 1 d . . . . .
F007 F 0.5000 0.0000 0.0000 0.0182(5) Uani 1 2 d S . P D .
F008 F 0.25049(10) 0.24965(8) 0.49753(6) 0.0198(4) Uani 1 1 d . . . . .
F009 F 0.0000 0.5000 0.0000 0.0209(5) Uani 1 2 d S . P C .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1_26 C1_26 1.354(13) . ?
O1_26 Al05 1.68(3) . ?
C1_26 C2_26 1.546(12) . ?
C1_26 C4_26 1.553(12) . ?
C1_26 C3_26 1.553(12) . ?
C2_26 F3_26 1.331(13) . ?
C2_26 F2_26 1.332(13) . ?
C2_26 F1_26 1.335(13) . ?
C3_26 F4_26 1.322(13) . ?
C3_26 F5_26 1.323(13) . ?
C3_26 F6_26 1.325(13) . ?
C4_26 F9_26 1.328(13) . ?
C4_26 F8_26 1.329(13) . ?
C4_26 F7_26 1.330(13) . ?
O1_25 C1_25 1.356(4) . ?
O1_25 Al05 1.716(6) . ?
C1_25 C3_25 1.544(6) . ?
C1_25 C2_25 1.552(5) . ?
C1_25 C4_25 1.555(5) . ?
C2_25 F1_25 1.327(6) . ?
C2_25 F2_25 1.333(5) . ?
C2_25 F3_25 1.334(6) . ?
C3_25 F4_25 1.327(6) . ?
C3_25 F6_25 1.328(5) . ?
C3_25 F5_25 1.338(6) . ?
C4_25 F9_25 1.322(5) . ?
C4_25 F7_25 1.328(5) . ?
C4_25 F8_25 1.330(5) . ?
O1_24 C1_24 1.350(13) . ?
O1_24 Al06 1.70(3) . ?
C1_24 C3_24 1.542(12) . ?
C1_24 C4_24 1.550(12) . ?
C1_24 C2_24 1.566(12) . ?
C2_24 F3_24 1.321(13) . ?
C2_24 F1_24 1.321(13) . ?
C2_24 F2_24 1.343(13) . ?
C3_24 F4_24 1.328(13) . ?
C3_24 F5_24 1.329(13) . ?
C3_24 F6_24 1.330(13) . ?
C4_24 F7_24 1.326(13) . ?
C4_24 F8_24 1.342(13) . ?
C4_24 F9_24 1.346(13) . ?
O1_23 C1_23 1.358(4) . ?
O1_23 Al06 1.702(6) . ?
C1_23 C4_23 1.540(6) . ?
C1_23 C3_23 1.548(5) . ?
C1_23 C2_23 1.559(6) . ?
C2_23 F1_23 1.320(6) . ?
C2_23 F3_23 1.328(6) . ?
C2_23 F2_23 1.339(5) . ?
C3_23 F4_23 1.326(5) . ?
C3_23 F5_23 1.329(5) . ?
C3_23 F6_23 1.331(5) . ?
C4_23 F9_23 1.333(5) . ?
C4_23 F8_23 1.334(5) . ?
C4_23 F7_23 1.342(6) . ?
O1_22 C1_22 1.351(11) . ?
O1_22 Al04 1.631(14) . ?
C1_22 C4_22 1.543(10) . ?
C1_22 C2_22 1.546(10) . ?
C1_22 C3_22 1.560(10) . ?
C2_22 F3_22 1.324(10) . ?
C2_22 F2_22 1.325(8) . ?
C2_22 F1_22 1.326(10) . ?
C3_22 F4_22 1.308(10) . ?
C3_22 F5_22 1.329(11) . ?
C3_22 F6_22 1.345(9) . ?
C4_22 F8_22 1.330(10) . ?
C4_22 F7_22 1.338(10) . ?
C4_22 F9_22 1.341(10) . ?
O1_21 C1_21 1.346(8) . ?
O1_21 Al04 1.747(10) . ?
C1_21 C4_21 1.541(8) . ?
C1_21 C2_21 1.557(8) . ?
C1_21 C3_21 1.559(8) . ?
C2_21 F1_21 1.318(8) . ?
C2_21 F2_21 1.327(6) . ?
C2_21 F3_21 1.341(10) . ?
C3_21 F5_21 1.307(8) . ?
C3_21 F4_21 1.332(8) . ?
C3_21 F6_21 1.344(7) . ?
C4_21 F9_21 1.322(8) . ?
C4_21 F8_21 1.326(7) . ?
C4_21 F7_21 1.327(9) . ?
O1_20 C1_20 1.357(12) . ?
O1_20 Al03 1.687(19) . ?
C1_20 C4_20 1.544(11) . ?
C1_20 C3_20 1.549(10) . ?
C1_20 C2_20 1.551(10) . ?
C2_20 F2_20 1.318(8) . ?
C2_20 F1_20 1.328(11) . ?
C2_20 F3_20 1.328(9) . ?
C3_20 F5_20 1.320(12) . ?
C3_20 F4_20 1.331(9) . ?
C3_20 F6_20 1.338(8) . ?
C4_20 F8_20 1.326(10) . ?
C4_20 F7_20 1.331(11) . ?
C4_20 F9_20 1.344(10) . ?
O1_19 C1_19 1.360(7) . ?
O1_19 Al03 1.697(10) . ?
C1_19 C4_19 1.544(7) . ?
C1_19 C2_19 1.548(7) . ?
C1_19 C3_19 1.551(7) . ?
C2_19 F2_19 1.323(6) . ?
C2_19 F3_19 1.328(8) . ?
C2_19 F1_19 1.331(6) . ?
C3_19 F5_19 1.318(6) . ?
C3_19 F4_19 1.331(9) . ?
C3_19 F6_19 1.336(5) . ?
C4_19 F7_19 1.311(6) . ?
C4_19 F9_19 1.338(7) . ?
C4_19 F8_19 1.343(5) . ?
O1_18 C1_18 1.356(3) . ?
O1_18 Al03 1.711(2) . ?
C1_18 C3_18 1.544(4) . ?
C1_18 C2_18 1.550(4) . ?
C1_18 C4_18 1.555(4) . ?
C2_18 F1_18 1.329(4) . ?
C2_18 F3_18 1.329(4) . ?
C2_18 F2_18 1.337(4) . ?
C3_18 F5_18 1.325(4) . ?
C3_18 F6_18 1.331(4) . ?
C3_18 F4_18 1.333(4) . ?
C4_18 F9_18 1.325(4) . ?
C4_18 F7_18 1.330(4) . ?
C4_18 F8_18 1.335(4) . ?
O1_17 C1_17 1.356(3) . ?
O1_17 Al03 1.715(2) . ?
C1_17 C4_17 1.540(5) . ?
C1_17 C3_17 1.548(4) . ?
C1_17 C2_17 1.559(4) . ?
C2_17 F2_17 1.328(4) . ?
C2_17 F1_17 1.329(4) . ?
C2_17 F3_17 1.347(4) . ?
C3_17 F4_17 1.329(4) . ?
C3_17 F6_17 1.340(4) . ?
C3_17 F5_17 1.348(4) . ?
C4_17 F7_17 1.330(4) . ?
C4_17 F9_17 1.336(4) . ?
C4_17 F8_17 1.345(4) . ?
O1_15 C1_15 1.354(3) . ?
O1_15 Al06 1.698(2) . ?
C1_15 C2_15 1.537(4) . ?
C1_15 C4_15 1.547(4) . ?
C1_15 C3_15 1.554(4) . ?
C2_15 F3_15 1.311(4) . ?
C2_15 F2_15 1.329(4) . ?
C2_15 F1_15 1.344(4) . ?
C3_15 F4_15 1.315(4) . ?
C3_15 F6_15 1.327(4) . ?
C3_15 F5_15 1.331(4) . ?
C4_15 F9_15 1.328(4) . ?
C4_15 F7_15 1.330(4) . ?
C4_15 F8_15 1.335(4) . ?
O1_14 C1_14 1.351(3) . ?
O1_14 Al06 1.703(2) . ?
C1_14 C3_14 1.540(4) . ?
C1_14 C2_14 1.555(4) . ?
C1_14 C4_14 1.562(4) . ?
C2_14 F1_14 1.318(4) . ?
C2_14 F3_14 1.342(4) . ?
C2_14 F2_14 1.346(4) . ?
C3_14 F5_14 1.327(4) . ?
C3_14 F6_14 1.352(4) . ?
C3_14 F4_14 1.352(4) . ?
C4_14 F7_14 1.334(4) . ?
C4_14 F8_14 1.338(4) . ?
C4_14 F9_14 1.339(4) . ?
O1_12 C1_12 1.351(3) . ?
O1_12 Al05 1.698(2) . ?
C1_12 C4_12 1.543(4) . ?
C1_12 C3_12 1.553(4) . ?
C1_12 C2_12 1.557(4) . ?
C2_12 F1_12 1.325(4) . ?
C2_12 F3_12 1.329(4) . ?
C2_12 F2_12 1.340(4) . ?
C3_12 F4_12 1.328(4) . ?
C3_12 F5_12 1.331(4) . ?
C3_12 F6_12 1.335(4) . ?
C4_12 F9_12 1.320(4) . ?
C4_12 F7_12 1.345(4) . ?
C4_12 F8_12 1.355(4) . ?
O1_11 C1_11 1.355(3) . ?
O1_11 Al05 1.704(2) . ?
C1_11 C4_11 1.546(4) . ?
C1_11 C3_11 1.548(4) . ?
C1_11 C2_11 1.556(4) . ?
C2_11 F3_11 1.301(4) . ?
C2_11 F2_11 1.317(4) . ?
C2_11 F1_11 1.338(4) . ?
C3_11 F4_11 1.318(4) . ?
C3_11 F5_11 1.326(4) . ?
C3_11 F6_11 1.328(4) . ?
C4_11 F9_11 1.317(4) . ?
C4_11 F8_11 1.326(4) . ?
C4_11 F7_11 1.350(4) . ?
O1_8 C1_8 1.353(3) . ?
O1_8 Al04 1.700(2) . ?
C1_8 C4_8 1.525(5) . ?
C1_8 C3_8 1.546(4) . ?
C1_8 C2_8 1.561(4) . ?
C2_8 F1_8 1.322(4) . ?
C2_8 F3_8 1.332(5) . ?
C2_8 F2_8 1.333(4) . ?
C3_8 F5_8 1.317(4) . ?
C3_8 F4_8 1.329(4) . ?
C3_8 F6_8 1.338(4) . ?
C4_8 F8_8 1.325(4) . ?
C4_8 F7_8 1.329(5) . ?
C4_8 F9_8 1.343(5) . ?
O1_7 C1_7 1.349(4) . ?
O1_7 Al04 1.696(2) . ?
C1_7 C3_7 1.541(5) . ?
C1_7 C2_7 1.550(4) . ?
C1_7 C4_7 1.562(4) . ?
C2_7 F3_7 1.314(4) . ?
C2_7 F2_7 1.323(4) . ?
C2_7 F1_7 1.332(4) . ?
C3_7 F4_7 1.313(4) . ?
C3_7 F5_7 1.335(5) . ?
C3_7 F6_7 1.343(5) . ?
C4_7 F8_7 1.316(4) . ?
C4_7 F7_7 1.322(4) . ?
C4_7 F9_7 1.325(4) . ?
C1_6 F1_6 1.331(4) . ?
C1_6 C6_6 1.373(5) . ?
C1_6 C2_6 1.383(5) . ?
C2_6 F2_6 1.331(4) . ?
C2_6 C3_6 1.385(5) . ?
C3_6 C4_6 1.401(5) . ?
C3_6 Ag01 2.673(3) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.385(5) . ?
C4_6 Ag01 2.528(3) . ?
C4_6 H4_6 1.0000 . ?
C5_6 C6_6 1.391(5) . ?
C5_6 H5_6 0.9500 . ?
C6_6 H6_6 0.9500 . ?
C1_5 F1_5 1.328(4) . ?
C1_5 C2_5 1.375(5) . ?
C1_5 C6_5 1.378(5) . ?
C2_5 F2_5 1.347(4) . ?
C2_5 C3_5 1.367(5) . ?
C3_5 C4_5 1.399(4) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.399(4) . ?
C4_5 Ag01 2.446(3) . ?
C4_5 H4_5 1.0000 . ?
C5_5 C6_5 1.399(4) . ?
C5_5 Ag01 2.557(3) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C1_4 F1_4 1.335(4) . ?
C1_4 C6_4 1.374(5) . ?
C1_4 C2_4 1.385(4) . ?
C2_4 F2_4 1.343(4) . ?
C2_4 C3_4 1.374(5) . ?
C3_4 C4_4 1.387(5) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.402(5) . ?
C4_4 Ag01 2.458(3) . ?
C4_4 H4_4 1.0000 . ?
C5_4 C6_4 1.375(5) . ?
C5_4 Ag01 2.562(4) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C1_3 F1_3 1.339(4) . ?
C1_3 C6_3 1.371(5) . ?
C1_3 C2_3 1.378(5) . ?
C2_3 F2_3 1.345(4) . ?
C2_3 C3_3 1.366(4) . ?
C3_3 C4_3 1.389(5) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.396(5) . ?
C4_3 Ag02 2.457(3) . ?
C4_3 H4_3 1.0000 . ?
C5_3 C6_3 1.397(4) . ?
C5_3 Ag02 2.579(3) . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C1_2 F1_2 1.342(4) . ?
C1_2 C6_2 1.362(5) . ?
C1_2 C2_2 1.392(5) . ?
C2_2 F2_2 1.336(4) . ?
C2_2 C3_2 1.370(5) . ?
C3_2 C4_2 1.397(5) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.392(5) . ?
C4_2 Ag02 2.478(3) . ?
C4_2 H4_2 1.0000 . ?
C5_2 C6_2 1.379(6) . ?
C5_2 Ag02 2.586(4) . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C1_1 F1_1 1.325(4) . ?
C1_1 C6_1 1.380(5) . ?
C1_1 C2_1 1.384(5) . ?
C2_1 F2_1 1.336(4) . ?
C2_1 C3_1 1.365(5) . ?
C3_1 C4_1 1.390(5) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.387(5) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.395(5) . ?
C5_1 Ag02 2.531(3) . ?
C5_1 H5_1 1.0000 . ?
C6_1 Ag02 2.659(4) . ?
C6_1 H6_1 0.9500 . ?
Al03 F007 1.7693(8) . ?
Al04 F009 1.7639(8) . ?
Al05 F008 1.7705(15) . ?
Al06 F008 1.7672(15) . ?
F007 Al03 1.7694(8) 2_655 ?
F009 Al04 1.7639(8) 2_565 ?

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
C1_26 O1_26 Al05 149(3) . . ?
O1_26 C1_26 C2_26 111.6(18) . . ?
O1_26 C1_26 C4_26 108.8(18) . . ?
C2_26 C1_26 C4_26 109.1(12) . . ?
O1_26 C1_26 C3_26 108.8(18) . . ?
C2_26 C1_26 C3_26 110.0(12) . . ?
C4_26 C1_26 C3_26 108.5(12) . . ?
F3_26 C2_26 F2_26 109.7(16) . . ?
F3_26 C2_26 F1_26 107.2(15) . . ?
F2_26 C2_26 F1_26 105.5(16) . . ?
F3_26 C2_26 C1_26 109.2(13) . . ?
F2_26 C2_26 C1_26 114.1(15) . . ?
F1_26 C2_26 C1_26 110.8(14) . . ?
F4_26 C3_26 F5_26 107.6(14) . . ?
F4_26 C3_26 F6_26 109.2(17) . . ?
F5_26 C3_26 F6_26 107.4(16) . . ?
F4_26 C3_26 C1_26 110.4(13) . . ?
F5_26 C3_26 C1_26 110.3(13) . . ?
F6_26 C3_26 C1_26 111.8(16) . . ?
F9_26 C4_26 F8_26 108.3(16) . . ?
F9_26 C4_26 F7_26 108.4(15) . . ?
F8_26 C4_26 F7_26 109.3(17) . . ?
F9_26 C4_26 C1_26 109.8(14) . . ?
F8_26 C4_26 C1_26 111.4(16) . . ?
F7_26 C4_26 C1_26 109.7(14) . . ?
C1_25 O1_25 Al05 143.5(6) . . ?
O1_25 C1_25 C3_25 111.4(4) . . ?
O1_25 C1_25 C2_25 110.0(4) . . ?
C3_25 C1_25 C2_25 109.1(4) . . ?
O1_25 C1_25 C4_25 106.5(4) . . ?
C3_25 C1_25 C4_25 109.9(4) . . ?
C2_25 C1_25 C4_25 109.8(4) . . ?
F1_25 C2_25 F2_25 107.5(5) . . ?
F1_25 C2_25 F3_25 107.2(5) . . ?
F2_25 C2_25 F3_25 108.0(5) . . ?
F1_25 C2_25 C1_25 111.0(4) . . ?
F2_25 C2_25 C1_25 113.1(4) . . ?
F3_25 C2_25 C1_25 109.8(4) . . ?
F4_25 C3_25 F6_25 107.6(5) . . ?
F4_25 C3_25 F5_25 106.4(5) . . ?
F6_25 C3_25 F5_25 108.3(5) . . ?
F4_25 C3_25 C1_25 110.4(4) . . ?
F6_25 C3_25 C1_25 113.7(4) . . ?
F5_25 C3_25 C1_25 110.1(4) . . ?
F9_25 C4_25 F7_25 107.9(4) . . ?
F9_25 C4_25 F8_25 108.5(4) . . ?
F7_25 C4_25 F8_25 107.6(4) . . ?
F9_25 C4_25 C1_25 110.9(4) . . ?
F7_25 C4_25 C1_25 110.3(4) . . ?
F8_25 C4_25 C1_25 111.5(4) . . ?
C1_24 O1_24 Al06 146(3) . . ?
O1_24 C1_24 C3_24 111.0(17) . . ?
O1_24 C1_24 C4_24 109.8(18) . . ?
C3_24 C1_24 C4_24 111.9(12) . . ?
O1_24 C1_24 C2_24 108.8(17) . . ?
C3_24 C1_24 C2_24 106.8(11) . . ?
C4_24 C1_24 C2_24 108.4(11) . . ?
F3_24 C2_24 F1_24 104.7(14) . . ?
F3_24 C2_24 F2_24 117.9(15) . . ?
F1_24 C2_24 F2_24 108.6(15) . . ?
F3_24 C2_24 C1_24 110.9(13) . . ?
F1_24 C2_24 C1_24 108.0(13) . . ?
F2_24 C2_24 C1_24 106.4(14) . . ?
F4_24 C3_24 F5_24 106.8(15) . . ?
F4_24 C3_24 F6_24 109.0(17) . . ?
F5_24 C3_24 F6_24 108.8(18) . . ?
F4_24 C3_24 C1_24 109.0(13) . . ?
F5_24 C3_24 C1_24 110.5(13) . . ?
F6_24 C3_24 C1_24 112.6(16) . . ?
F7_24 C4_24 F8_24 102.2(15) . . ?
F7_24 C4_24 F9_24 113.9(16) . . ?
F8_24 C4_24 F9_24 109.1(17) . . ?
F7_24 C4_24 C1_24 110.5(12) . . ?
F8_24 C4_24 C1_24 113.2(16) . . ?
F9_24 C4_24 C1_24 108.0(12) . . ?
C1_23 O1_23 Al06 147.2(5) . . ?
O1_23 C1_23 C4_23 111.3(4) . . ?
O1_23 C1_23 C3_23 110.1(4) . . ?
C4_23 C1_23 C3_23 108.9(3) . . ?
O1_23 C1_23 C2_23 106.9(4) . . ?
C4_23 C1_23 C2_23 110.8(4) . . ?
C3_23 C1_23 C2_23 108.7(4) . . ?
F1_23 C2_23 F3_23 107.2(4) . . ?
F1_23 C2_23 F2_23 108.9(5) . . ?
F3_23 C2_23 F2_23 107.7(5) . . ?
F1_23 C2_23 C1_23 110.3(5) . . ?
F3_23 C2_23 C1_23 110.8(4) . . ?
F2_23 C2_23 C1_23 111.8(4) . . ?
F4_23 C3_23 F5_23 105.7(4) . . ?
F4_23 C3_23 F6_23 107.9(4) . . ?
F5_23 C3_23 F6_23 107.8(4) . . ?
F4_23 C3_23 C1_23 110.7(3) . . ?
F5_23 C3_23 C1_23 111.5(3) . . ?
F6_23 C3_23 C1_23 112.9(4) . . ?
F9_23 C4_23 F8_23 107.2(5) . . ?
F9_23 C4_23 F7_23 107.8(4) . . ?
F8_23 C4_23 F7_23 107.5(4) . . ?
F9_23 C4_23 C1_23 110.0(4) . . ?
F8_23 C4_23 C1_23 113.5(4) . . ?
F7_23 C4_23 C1_23 110.6(4) . . ?
C1_22 O1_22 Al04 156.0(16) . . ?
O1_22 C1_22 C4_22 110.6(12) . . ?
O1_22 C1_22 C2_22 107.9(11) . . ?
C4_22 C1_22 C2_22 108.5(7) . . ?
O1_22 C1_22 C3_22 110.2(11) . . ?
C4_22 C1_22 C3_22 109.9(7) . . ?
C2_22 C1_22 C3_22 109.8(7) . . ?
F3_22 C2_22 F2_22 106.1(9) . . ?
F3_22 C2_22 F1_22 105.2(8) . . ?
F2_22 C2_22 F1_22 108.8(9) . . ?
F3_22 C2_22 C1_22 111.6(8) . . ?
F2_22 C2_22 C1_22 112.7(7) . . ?
F1_22 C2_22 C1_22 112.1(7) . . ?
F4_22 C3_22 F5_22 109.4(10) . . ?
F4_22 C3_22 F6_22 106.1(9) . . ?
F5_22 C3_22 F6_22 106.7(9) . . ?
F4_22 C3_22 C1_22 112.1(9) . . ?
F5_22 C3_22 C1_22 110.9(8) . . ?
F6_22 C3_22 C1_22 111.4(7) . . ?
F8_22 C4_22 F7_22 107.6(9) . . ?
F8_22 C4_22 F9_22 108.4(11) . . ?
F7_22 C4_22 F9_22 106.7(10) . . ?
F8_22 C4_22 C1_22 113.5(8) . . ?
F7_22 C4_22 C1_22 110.9(8) . . ?
F9_22 C4_22 C1_22 109.5(10) . . ?
C1_21 O1_21 Al04 146.7(10) . . ?
O1_21 C1_21 C4_21 113.5(8) . . ?
O1_21 C1_21 C2_21 110.6(8) . . ?
C4_21 C1_21 C2_21 109.0(5) . . ?
O1_21 C1_21 C3_21 105.3(7) . . ?
C4_21 C1_21 C3_21 109.8(6) . . ?
C2_21 C1_21 C3_21 108.5(5) . . ?
F1_21 C2_21 F2_21 109.0(6) . . ?
F1_21 C2_21 F3_21 106.7(7) . . ?
F2_21 C2_21 F3_21 107.6(7) . . ?
F1_21 C2_21 C1_21 110.7(6) . . ?
F2_21 C2_21 C1_21 112.3(5) . . ?
F3_21 C2_21 C1_21 110.3(6) . . ?
F5_21 C3_21 F4_21 107.9(6) . . ?
F5_21 C3_21 F6_21 108.4(7) . . ?
F4_21 C3_21 F6_21 105.7(6) . . ?
F5_21 C3_21 C1_21 112.0(7) . . ?
F4_21 C3_21 C1_21 110.6(5) . . ?
F6_21 C3_21 C1_21 112.0(5) . . ?
F9_21 C4_21 F8_21 107.1(7) . . ?
F9_21 C4_21 F7_21 108.8(7) . . ?
F8_21 C4_21 F7_21 106.7(8) . . ?
F9_21 C4_21 C1_21 110.9(5) . . ?
F8_21 C4_21 C1_21 112.7(6) . . ?
F7_21 C4_21 C1_21 110.4(7) . . ?
C1_20 O1_20 Al03 158(2) . . ?
O1_20 C1_20 C4_20 109.3(15) . . ?
O1_20 C1_20 C3_20 108.7(15) . . ?
C4_20 C1_20 C3_20 109.8(8) . . ?
O1_20 C1_20 C2_20 110.5(15) . . ?
C4_20 C1_20 C2_20 109.2(8) . . ?
C3_20 C1_20 C2_20 109.4(8) . . ?
F2_20 C2_20 F1_20 107.0(11) . . ?
F2_20 C2_20 F3_20 108.0(7) . . ?
F1_20 C2_20 F3_20 107.6(9) . . ?
F2_20 C2_20 C1_20 112.3(7) . . ?
F1_20 C2_20 C1_20 111.3(9) . . ?
F3_20 C2_20 C1_20 110.4(8) . . ?
F5_20 C3_20 F4_20 108.9(11) . . ?
F5_20 C3_20 F6_20 105.9(11) . . ?
F4_20 C3_20 F6_20 107.0(8) . . ?
F5_20 C3_20 C1_20 112.8(9) . . ?
F4_20 C3_20 C1_20 110.8(8) . . ?
F6_20 C3_20 C1_20 111.1(8) . . ?
F8_20 C4_20 F7_20 105.7(9) . . ?
F8_20 C4_20 F9_20 107.2(10) . . ?
F7_20 C4_20 F9_20 108.2(10) . . ?
F8_20 C4_20 C1_20 114.1(9) . . ?
F7_20 C4_20 C1_20 110.9(9) . . ?
F9_20 C4_20 C1_20 110.4(9) . . ?
C1_19 O1_19 Al03 151.8(12) . . ?
O1_19 C1_19 C4_19 109.6(8) . . ?
O1_19 C1_19 C2_19 110.8(8) . . ?
C4_19 C1_19 C2_19 109.2(4) . . ?
O1_19 C1_19 C3_19 108.0(8) . . ?
C4_19 C1_19 C3_19 109.8(5) . . ?
C2_19 C1_19 C3_19 109.5(4) . . ?
F2_19 C2_19 F3_19 107.2(6) . . ?
F2_19 C2_19 F1_19 108.4(5) . . ?
F3_19 C2_19 F1_19 106.6(6) . . ?
F2_19 C2_19 C1_19 113.3(5) . . ?
F3_19 C2_19 C1_19 110.9(5) . . ?
F1_19 C2_19 C1_19 110.1(5) . . ?
F5_19 C3_19 F4_19 106.7(6) . . ?
F5_19 C3_19 F6_19 107.9(4) . . ?
F4_19 C3_19 F6_19 109.5(7) . . ?
F5_19 C3_19 C1_19 111.3(4) . . ?
F4_19 C3_19 C1_19 110.5(6) . . ?
F6_19 C3_19 C1_19 110.8(4) . . ?
F7_19 C4_19 F9_19 107.7(4) . . ?
F7_19 C4_19 F8_19 107.5(4) . . ?
F9_19 C4_19 F8_19 107.1(5) . . ?
F7_19 C4_19 C1_19 111.5(4) . . ?
F9_19 C4_19 C1_19 110.1(4) . . ?
F8_19 C4_19 C1_19 112.7(4) . . ?
C1_18 O1_18 Al03 145.2(2) . . ?
O1_18 C1_18 C3_18 109.9(2) . . ?
O1_18 C1_18 C2_18 107.8(2) . . ?
C3_18 C1_18 C2_18 109.4(2) . . ?
O1_18 C1_18 C4_18 111.1(2) . . ?
C3_18 C1_18 C4_18 109.6(3) . . ?
C2_18 C1_18 C4_18 109.0(2) . . ?
F1_18 C2_18 F3_18 106.8(3) . . ?
F1_18 C2_18 F2_18 107.6(3) . . ?
F3_18 C2_18 F2_18 107.6(3) . . ?
F1_18 C2_18 C1_18 111.4(3) . . ?
F3_18 C2_18 C1_18 110.7(2) . . ?
F2_18 C2_18 C1_18 112.5(3) . . ?
F5_18 C3_18 F6_18 107.6(3) . . ?
F5_18 C3_18 F4_18 107.4(3) . . ?
F6_18 C3_18 F4_18 107.7(3) . . ?
F5_18 C3_18 C1_18 111.1(3) . . ?
F6_18 C3_18 C1_18 112.6(3) . . ?
F4_18 C3_18 C1_18 110.2(2) . . ?
F9_18 C4_18 F7_18 107.1(3) . . ?
F9_18 C4_18 F8_18 108.3(3) . . ?
F7_18 C4_18 F8_18 107.3(3) . . ?
F9_18 C4_18 C1_18 110.4(3) . . ?
F7_18 C4_18 C1_18 111.5(3) . . ?
F8_18 C4_18 C1_18 112.0(3) . . ?
C1_17 O1_17 Al03 144.2(2) . . ?
O1_17 C1_17 C4_17 108.3(2) . . ?
O1_17 C1_17 C3_17 110.0(3) . . ?
C4_17 C1_17 C3_17 109.9(3) . . ?
O1_17 C1_17 C2_17 110.4(2) . . ?
C4_17 C1_17 C2_17 108.8(3) . . ?
C3_17 C1_17 C2_17 109.3(3) . . ?
F2_17 C2_17 F1_17 107.4(3) . . ?
F2_17 C2_17 F3_17 108.6(3) . . ?
F1_17 C2_17 F3_17 107.3(3) . . ?
F2_17 C2_17 C1_17 112.4(3) . . ?
F1_17 C2_17 C1_17 110.9(3) . . ?
F3_17 C2_17 C1_17 110.0(3) . . ?
F4_17 C3_17 F6_17 108.4(3) . . ?
F4_17 C3_17 F5_17 108.1(3) . . ?
F6_17 C3_17 F5_17 106.4(3) . . ?
F4_17 C3_17 C1_17 111.5(3) . . ?
F6_17 C3_17 C1_17 112.6(3) . . ?
F5_17 C3_17 C1_17 109.6(3) . . ?
F7_17 C4_17 F9_17 108.7(3) . . ?
F7_17 C4_17 F8_17 106.7(3) . . ?
F9_17 C4_17 F8_17 107.7(3) . . ?
F7_17 C4_17 C1_17 110.9(3) . . ?
F9_17 C4_17 C1_17 110.5(3) . . ?
F8_17 C4_17 C1_17 112.1(3) . . ?
C1_15 O1_15 Al06 149.1(2) . . ?
O1_15 C1_15 C2_15 108.4(2) . . ?
O1_15 C1_15 C4_15 111.4(3) . . ?
C2_15 C1_15 C4_15 109.6(3) . . ?
O1_15 C1_15 C3_15 109.4(2) . . ?
C2_15 C1_15 C3_15 110.2(3) . . ?
C4_15 C1_15 C3_15 107.8(3) . . ?
F3_15 C2_15 F2_15 108.1(3) . . ?
F3_15 C2_15 F1_15 107.3(3) . . ?
F2_15 C2_15 F1_15 106.7(3) . . ?
F3_15 C2_15 C1_15 111.3(3) . . ?
F2_15 C2_15 C1_15 113.5(3) . . ?
F1_15 C2_15 C1_15 109.7(3) . . ?
F4_15 C3_15 F6_15 108.6(3) . . ?
F4_15 C3_15 F5_15 107.6(3) . . ?
F6_15 C3_15 F5_15 107.1(3) . . ?
F4_15 C3_15 C1_15 110.4(3) . . ?
F6_15 C3_15 C1_15 112.7(3) . . ?
F5_15 C3_15 C1_15 110.3(3) . . ?
F9_15 C4_15 F7_15 106.7(3) . . ?
F9_15 C4_15 F8_15 108.2(3) . . ?
F7_15 C4_15 F8_15 107.5(3) . . ?
F9_15 C4_15 C1_15 110.7(3) . . ?
F7_15 C4_15 C1_15 112.0(3) . . ?
F8_15 C4_15 C1_15 111.5(3) . . ?
C1_14 O1_14 Al06 150.06(19) . . ?
O1_14 C1_14 C3_14 109.5(2) . . ?
O1_14 C1_14 C2_14 108.5(2) . . ?
C3_14 C1_14 C2_14 110.2(2) . . ?
O1_14 C1_14 C4_14 110.3(2) . . ?
C3_14 C1_14 C4_14 109.5(2) . . ?
C2_14 C1_14 C4_14 108.8(2) . . ?
F1_14 C2_14 F3_14 109.7(3) . . ?
F1_14 C2_14 F2_14 107.2(3) . . ?
F3_14 C2_14 F2_14 108.3(3) . . ?
F1_14 C2_14 C1_14 111.1(3) . . ?
F3_14 C2_14 C1_14 109.7(3) . . ?
F2_14 C2_14 C1_14 110.9(3) . . ?
F5_14 C3_14 F6_14 106.8(3) . . ?
F5_14 C3_14 F4_14 109.4(3) . . ?
F6_14 C3_14 F4_14 107.7(3) . . ?
F5_14 C3_14 C1_14 110.9(3) . . ?
F6_14 C3_14 C1_14 112.2(3) . . ?
F4_14 C3_14 C1_14 109.7(3) . . ?
F7_14 C4_14 F8_14 107.0(3) . . ?
F7_14 C4_14 F9_14 109.4(3) . . ?
F8_14 C4_14 F9_14 108.0(3) . . ?
F7_14 C4_14 C1_14 109.8(3) . . ?
F8_14 C4_14 C1_14 111.8(3) . . ?
F9_14 C4_14 C1_14 110.8(3) . . ?
C1_12 O1_12 Al05 152.35(19) . . ?
O1_12 C1_12 C4_12 109.3(2) . . ?
O1_12 C1_12 C3_12 110.5(2) . . ?
C4_12 C1_12 C3_12 110.1(2) . . ?
O1_12 C1_12 C2_12 107.8(2) . . ?
C4_12 C1_12 C2_12 109.7(2) . . ?
C3_12 C1_12 C2_12 109.4(3) . . ?
F1_12 C2_12 F3_12 109.6(3) . . ?
F1_12 C2_12 F2_12 108.0(3) . . ?
F3_12 C2_12 F2_12 106.9(3) . . ?
F1_12 C2_12 C1_12 110.6(3) . . ?
F3_12 C2_12 C1_12 110.6(3) . . ?
F2_12 C2_12 C1_12 111.2(3) . . ?
F4_12 C3_12 F5_12 109.2(3) . . ?
F4_12 C3_12 F6_12 107.2(3) . . ?
F5_12 C3_12 F6_12 108.5(3) . . ?
F4_12 C3_12 C1_12 109.3(3) . . ?
F5_12 C3_12 C1_12 111.1(3) . . ?
F6_12 C3_12 C1_12 111.4(3) . . ?
F9_12 C4_12 F7_12 109.4(3) . . ?
F9_12 C4_12 F8_12 106.7(3) . . ?
F7_12 C4_12 F8_12 107.5(3) . . ?
F9_12 C4_12 C1_12 111.1(3) . . ?
F7_12 C4_12 C1_12 109.9(2) . . ?
F8_12 C4_12 C1_12 112.1(3) . . ?
C1_11 O1_11 Al05 149.3(2) . . ?
O1_11 C1_11 C4_11 110.1(3) . . ?
O1_11 C1_11 C3_11 107.7(2) . . ?
C4_11 C1_11 C3_11 109.1(3) . . ?
O1_11 C1_11 C2_11 110.0(2) . . ?
C4_11 C1_11 C2_11 110.1(3) . . ?
C3_11 C1_11 C2_11 109.7(3) . . ?
F3_11 C2_11 F2_11 110.1(3) . . ?
F3_11 C2_11 F1_11 106.8(3) . . ?
F2_11 C2_11 F1_11 106.6(3) . . ?
F3_11 C2_11 C1_11 111.0(3) . . ?
F2_11 C2_11 C1_11 113.0(3) . . ?
F1_11 C2_11 C1_11 109.0(3) . . ?
F4_11 C3_11 F5_11 106.0(3) . . ?
F4_11 C3_11 F6_11 108.5(3) . . ?
F5_11 C3_11 F6_11 107.9(3) . . ?
F4_11 C3_11 C1_11 111.4(3) . . ?
F5_11 C3_11 C1_11 110.6(3) . . ?
F6_11 C3_11 C1_11 112.2(3) . . ?
F9_11 C4_11 F8_11 108.8(3) . . ?
F9_11 C4_11 F7_11 105.8(3) . . ?
F8_11 C4_11 F7_11 106.8(3) . . ?
F9_11 C4_11 C1_11 112.1(3) . . ?
F8_11 C4_11 C1_11 112.2(3) . . ?
F7_11 C4_11 C1_11 110.9(3) . . ?
C1_8 O1_8 Al04 148.3(2) . . ?
O1_8 C1_8 C4_8 111.2(3) . . ?
O1_8 C1_8 C3_8 108.5(2) . . ?
C4_8 C1_8 C3_8 109.8(3) . . ?
O1_8 C1_8 C2_8 109.3(2) . . ?
C4_8 C1_8 C2_8 109.5(3) . . ?
C3_8 C1_8 C2_8 108.5(3) . . ?
F1_8 C2_8 F3_8 107.8(3) . . ?
F1_8 C2_8 F2_8 107.7(3) . . ?
F3_8 C2_8 F2_8 106.9(3) . . ?
F1_8 C2_8 C1_8 110.5(3) . . ?
F3_8 C2_8 C1_8 111.6(3) . . ?
F2_8 C2_8 C1_8 112.1(3) . . ?
F5_8 C3_8 F4_8 107.1(3) . . ?
F5_8 C3_8 F6_8 107.8(3) . . ?
F4_8 C3_8 F6_8 107.3(3) . . ?
F5_8 C3_8 C1_8 111.4(3) . . ?
F4_8 C3_8 C1_8 110.6(3) . . ?
F6_8 C3_8 C1_8 112.3(3) . . ?
F8_8 C4_8 F7_8 108.2(3) . . ?
F8_8 C4_8 F9_8 106.7(3) . . ?
F7_8 C4_8 F9_8 106.6(3) . . ?
F8_8 C4_8 C1_8 113.6(3) . . ?
F7_8 C4_8 C1_8 110.3(3) . . ?
F9_8 C4_8 C1_8 111.1(3) . . ?
C1_7 O1_7 Al04 151.4(2) . . ?
O1_7 C1_7 C3_7 107.6(3) . . ?
O1_7 C1_7 C2_7 109.8(3) . . ?
C3_7 C1_7 C2_7 109.2(3) . . ?
O1_7 C1_7 C4_7 110.6(3) . . ?
C3_7 C1_7 C4_7 110.1(3) . . ?
C2_7 C1_7 C4_7 109.5(2) . . ?
F3_7 C2_7 F2_7 107.4(3) . . ?
F3_7 C2_7 F1_7 108.0(3) . . ?
F2_7 C2_7 F1_7 107.6(3) . . ?
F3_7 C2_7 C1_7 110.9(3) . . ?
F2_7 C2_7 C1_7 112.6(3) . . ?
F1_7 C2_7 C1_7 110.2(3) . . ?
F4_7 C3_7 F5_7 106.4(3) . . ?
F4_7 C3_7 F6_7 107.5(3) . . ?
F5_7 C3_7 F6_7 107.9(3) . . ?
F4_7 C3_7 C1_7 112.2(3) . . ?
F5_7 C3_7 C1_7 110.7(3) . . ?
F6_7 C3_7 C1_7 112.0(3) . . ?
F8_7 C4_7 F7_7 108.6(3) . . ?
F8_7 C4_7 F9_7 108.4(3) . . ?
F7_7 C4_7 F9_7 107.8(3) . . ?
F8_7 C4_7 C1_7 112.3(3) . . ?
F7_7 C4_7 C1_7 110.2(3) . . ?
F9_7 C4_7 C1_7 109.5(3) . . ?
F1_6 C1_6 C6_6 120.9(3) . . ?
F1_6 C1_6 C2_6 118.5(3) . . ?
C6_6 C1_6 C2_6 120.5(3) . . ?
F2_6 C2_6 C1_6 119.4(3) . . ?
F2_6 C2_6 C3_6 119.8(3) . . ?
C1_6 C2_6 C3_6 120.7(3) . . ?
C2_6 C3_6 C4_6 118.7(3) . . ?
C2_6 C3_6 Ag01 103.7(2) . . ?
C4_6 C3_6 Ag01 68.75(19) . . ?
C2_6 C3_6 H3_6 120.7 . . ?
C4_6 C3_6 H3_6 120.7 . . ?
Ag01 C3_6 H3_6 97.1 . . ?
C5_6 C4_6 C3_6 120.4(3) . . ?
C5_6 C4_6 Ag01 98.2(2) . . ?
C3_6 C4_6 Ag01 80.2(2) . . ?
C5_6 C4_6 H4_6 116.7 . . ?
C3_6 C4_6 H4_6 116.7 . . ?
Ag01 C4_6 H4_6 116.7 . . ?
C4_6 C5_6 C6_6 120.0(3) . . ?
C4_6 C5_6 H5_6 120.0 . . ?
C6_6 C5_6 H5_6 120.0 . . ?
C1_6 C6_6 C5_6 119.8(3) . . ?
C1_6 C6_6 H6_6 120.1 . . ?
C5_6 C6_6 H6_6 120.1 . . ?
F1_5 C1_5 C2_5 119.5(3) . . ?
F1_5 C1_5 C6_5 119.6(3) . . ?
C2_5 C1_5 C6_5 120.9(3) . . ?
F2_5 C2_5 C3_5 119.4(3) . . ?
F2_5 C2_5 C1_5 119.1(3) . . ?
C3_5 C2_5 C1_5 121.6(3) . . ?
C2_5 C3_5 C4_5 119.0(3) . . ?
C2_5 C3_5 H3_5 120.5 . . ?
C4_5 C3_5 H3_5 120.5 . . ?
C5_5 C4_5 C3_5 119.6(3) . . ?
C5_5 C4_5 Ag01 78.18(18) . . ?
C3_5 C4_5 Ag01 99.60(19) . . ?
C5_5 C4_5 H4_5 117.0 . . ?
C3_5 C4_5 H4_5 117.0 . . ?
Ag01 C4_5 H4_5 117.0 . . ?
C4_5 C5_5 C6_5 120.5(3) . . ?
C4_5 C5_5 Ag01 69.43(17) . . ?
C6_5 C5_5 Ag01 104.4(2) . . ?
C4_5 C5_5 H5_5 119.8 . . ?
C6_5 C5_5 H5_5 119.8 . . ?
Ag01 C5_5 H5_5 95.9 . . ?
C1_5 C6_5 C5_5 118.5(3) . . ?
C1_5 C6_5 H6_5 120.8 . . ?
C5_5 C6_5 H6_5 120.8 . . ?
F1_4 C1_4 C6_4 121.4(3) . . ?
F1_4 C1_4 C2_4 118.6(3) . . ?
C6_4 C1_4 C2_4 120.0(3) . . ?
F2_4 C2_4 C3_4 120.6(3) . . ?
F2_4 C2_4 C1_4 118.0(3) . . ?
C3_4 C2_4 C1_4 121.4(3) . . ?
C2_4 C3_4 C4_4 118.8(3) . . ?
C2_4 C3_4 H3_4 120.6 . . ?
C4_4 C3_4 H3_4 120.6 . . ?
C3_4 C4_4 C5_4 119.7(3) . . ?
C3_4 C4_4 Ag01 107.8(2) . . ?
C5_4 C4_4 Ag01 77.9(2) . . ?
C3_4 C4_4 H4_4 115.2 . . ?
C5_4 C4_4 H4_4 115.2 . . ?
Ag01 C4_4 H4_4 115.2 . . ?
C6_4 C5_4 C4_4 120.5(3) . . ?
C6_4 C5_4 Ag01 111.9(2) . . ?
C4_4 C5_4 Ag01 69.8(2) . . ?
C6_4 C5_4 H5_4 119.8 . . ?
C4_4 C5_4 H5_4 119.8 . . ?
Ag01 C5_4 H5_4 88.4 . . ?
C1_4 C6_4 C5_4 119.6(3) . . ?
C1_4 C6_4 H6_4 120.2 . . ?
C5_4 C6_4 H6_4 120.2 . . ?
F1_3 C1_3 C6_3 119.6(3) . . ?
F1_3 C1_3 C2_3 119.0(3) . . ?
C6_3 C1_3 C2_3 121.4(3) . . ?
F2_3 C2_3 C3_3 120.3(3) . . ?
F2_3 C2_3 C1_3 118.9(3) . . ?
C3_3 C2_3 C1_3 120.8(3) . . ?
C2_3 C3_3 C4_3 119.3(3) . . ?
C2_3 C3_3 H3_3 120.4 . . ?
C4_3 C3_3 H3_3 120.4 . . ?
C3_3 C4_3 C5_3 119.9(3) . . ?
C3_3 C4_3 Ag02 97.3(2) . . ?
C5_3 C4_3 Ag02 78.76(19) . . ?
C3_3 C4_3 H4_3 117.3 . . ?
C5_3 C4_3 H4_3 117.3 . . ?
Ag02 C4_3 H4_3 117.3 . . ?
C4_3 C5_3 C6_3 120.2(3) . . ?
C4_3 C5_3 Ag02 69.17(19) . . ?
C6_3 C5_3 Ag02 102.7(2) . . ?
C4_3 C5_3 H5_3 119.9 . . ?
C6_3 C5_3 H5_3 119.9 . . ?
Ag02 C5_3 H5_3 97.9 . . ?
C1_3 C6_3 C5_3 118.4(3) . . ?
C1_3 C6_3 H6_3 120.8 . . ?
C5_3 C6_3 H6_3 120.8 . . ?
F1_2 C1_2 C6_2 121.3(3) . . ?
F1_2 C1_2 C2_2 118.4(3) . . ?
C6_2 C1_2 C2_2 120.3(3) . . ?
F2_2 C2_2 C3_2 120.7(3) . . ?
F2_2 C2_2 C1_2 118.1(3) . . ?
C3_2 C2_2 C1_2 121.2(3) . . ?
C2_2 C3_2 C4_2 118.6(3) . . ?
C2_2 C3_2 H3_2 120.7 . . ?
C4_2 C3_2 H3_2 120.7 . . ?
C5_2 C4_2 C3_2 119.7(4) . . ?
C5_2 C4_2 Ag02 78.4(2) . . ?
C3_2 C4_2 Ag02 109.8(2) . . ?
C5_2 C4_2 H4_2 114.5 . . ?
C3_2 C4_2 H4_2 114.5 . . ?
Ag02 C4_2 H4_2 114.5 . . ?
C6_2 C5_2 C4_2 120.7(4) . . ?
C6_2 C5_2 Ag02 113.9(2) . . ?
C4_2 C5_2 Ag02 69.8(2) . . ?
C6_2 C5_2 H5_2 119.7 . . ?
C4_2 C5_2 H5_2 119.7 . . ?
Ag02 C5_2 H5_2 86.5 . . ?
C1_2 C6_2 C5_2 119.5(4) . . ?
C1_2 C6_2 H6_2 120.3 . . ?
C5_2 C6_2 H6_2 120.3 . . ?
F1_1 C1_1 C6_1 121.0(3) . . ?
F1_1 C1_1 C2_1 118.3(3) . . ?
C6_1 C1_1 C2_1 120.6(3) . . ?
F2_1 C2_1 C3_1 120.2(3) . . ?
F2_1 C2_1 C1_1 118.8(3) . . ?
C3_1 C2_1 C1_1 121.0(4) . . ?
C2_1 C3_1 C4_1 119.2(4) . . ?
C2_1 C3_1 H3_1 120.4 . . ?
C4_1 C3_1 H3_1 120.4 . . ?
C5_1 C4_1 C3_1 120.3(4) . . ?
C5_1 C4_1 H4_1 119.8 . . ?
C3_1 C4_1 H4_1 119.8 . . ?
C4_1 C5_1 C6_1 120.2(4) . . ?
C4_1 C5_1 Ag02 100.7(2) . . ?
C6_1 C5_1 Ag02 79.6(2) . . ?
C4_1 C5_1 H5_1 116.3 . . ?
C6_1 C5_1 H5_1 116.3 . . ?
Ag02 C5_1 H5_1 116.3 . . ?
C1_1 C6_1 C5_1 118.7(4) . . ?
C1_1 C6_1 Ag02 105.5(2) . . ?
C5_1 C6_1 Ag02 69.4(2) . . ?
C1_1 C6_1 H6_1 120.6 . . ?
C5_1 C6_1 H6_1 120.6 . . ?
Ag02 C6_1 H6_1 94.8 . . ?
C4_5 Ag01 C4_4 132.02(11) . . ?
C4_5 Ag01 C4_6 121.30(11) . . ?
C4_4 Ag01 C4_6 100.92(12) . . ?
C4_5 Ag01 C5_5 32.39(10) . . ?
C4_4 Ag01 C5_5 140.22(11) . . ?
C4_6 Ag01 C5_5 116.77(11) . . ?
C4_5 Ag01 C5_4 128.00(11) . . ?
C4_4 Ag01 C5_4 32.35(11) . . ?
C4_6 Ag01 C5_4 110.06(12) . . ?
C5_5 Ag01 C5_4 115.77(11) . . ?
C4_5 Ag01 C3_6 92.57(11) . . ?
C4_4 Ag01 C3_6 119.78(11) . . ?
C4_6 Ag01 C3_6 31.09(11) . . ?
C5_5 Ag01 C3_6 99.67(10) . . ?
C5_4 Ag01 C3_6 139.37(11) . . ?
C4_3 Ag02 C4_2 131.26(12) . . ?
C4_3 Ag02 C5_1 121.26(12) . . ?
C4_2 Ag02 C5_1 102.34(13) . . ?
C4_3 Ag02 C5_3 32.06(10) . . ?
C4_2 Ag02 C5_3 138.86(12) . . ?
C5_1 Ag02 C5_3 116.58(12) . . ?
C4_3 Ag02 C5_2 127.63(12) . . ?
C4_2 Ag02 C5_2 31.82(12) . . ?
C5_1 Ag02 C5_2 110.31(12) . . ?
C5_3 Ag02 C5_2 115.37(11) . . ?
C4_3 Ag02 C6_1 92.06(11) . . ?
C4_2 Ag02 C6_1 122.76(12) . . ?
C5_1 Ag02 C6_1 31.05(11) . . ?
C5_3 Ag02 C6_1 98.16(11) . . ?
C5_2 Ag02 C6_1 140.31(12) . . ?
O1_20 Al03 O1_18 112.3(11) . . ?
O1_19 Al03 O1_18 111.1(5) . . ?
O1_20 Al03 O1_17 120.1(11) . . ?
O1_19 Al03 O1_17 118.7(5) . . ?
O1_18 Al03 O1_17 110.59(11) . . ?
O1_20 Al03 F007 104.8(11) . . ?
O1_19 Al03 F007 108.0(6) . . ?
O1_18 Al03 F007 108.53(8) . . ?
O1_17 Al03 F007 98.79(8) . . ?
O1_22 Al04 O1_7 113.7(8) . . ?
O1_22 Al04 O1_8 111.4(7) . . ?
O1_7 Al04 O1_8 113.34(11) . . ?
O1_7 Al04 O1_21 118.1(5) . . ?
O1_8 Al04 O1_21 113.5(4) . . ?
O1_22 Al04 F009 106.8(8) . . ?
O1_7 Al04 F009 105.39(9) . . ?
O1_8 Al04 F009 105.40(8) . . ?
O1_21 Al04 F009 98.6(5) . . ?
O1_26 Al05 O1_12 121.2(14) . . ?
O1_26 Al05 O1_11 106.6(15) . . ?
O1_12 Al05 O1_11 112.10(11) . . ?
O1_12 Al05 O1_25 117.4(3) . . ?
O1_11 Al05 O1_25 112.0(3) . . ?
O1_26 Al05 F008 102.3(13) . . ?
O1_12 Al05 F008 106.46(9) . . ?
O1_11 Al05 F008 106.99(9) . . ?
O1_25 Al05 F008 100.5(3) . . ?
O1_24 Al06 O1_15 113.8(13) . . ?
O1_15 Al06 O1_23 111.0(2) . . ?
O1_24 Al06 O1_14 115.6(14) . . ?
O1_15 Al06 O1_14 110.49(11) . . ?
O1_23 Al06 O1_14 118.3(3) . . ?
O1_24 Al06 F008 101.7(12) . . ?
O1_15 Al06 F008 107.30(10) . . ?
O1_23 Al06 F008 101.7(2) . . ?
O1_14 Al06 F008 107.09(9) . . ?
Al03 F007 Al03 180.0 . 2_655 ?
Al06 F008 Al05 178.40(10) . . ?
Al04 F009 Al04 180.00(5) . 2_565 ?

_refine_diff_density_max         2.616
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.112


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P21c_a_neu
_database_code_depnum_ccdc_archive 'CCDC 1845809'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H6 Al F27 O6'
_chemical_formula_sum            'C15 H6 Al F27 O6'
_chemical_formula_weight         822.18

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.8066(3)
_cell_length_b                   13.9580(4)
_cell_length_c                   17.2977(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.190(2)
_cell_angle_gamma                90
_cell_volume                     2609.15(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9346
_cell_measurement_theta_min      4.710
_cell_measurement_theta_max      60.740

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_F_000             1600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    0.305
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7064
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   SADABS-2014/5
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsouce'
_diffrn_measurement_device_type  'Bruker Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            82953
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.875
_diffrn_reflns_theta_max         30.588
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7987
_reflns_number_gt                5552
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ShelXle-786
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0495P)²+2.5116P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7987
_refine_ls_number_parameters     719
_refine_ls_number_restraints     5038
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.1161
_refine_ls_wR_factor_gt          0.0991
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_restrained_S_all      0.820
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1_6 C 0.2756(3) 0.3399(2) 0.63322(16) 0.0224(5) Uani 0.9401(17) 1 d D U P A 1
O1_6 O 0.34914(13) 0.40018(9) 0.66035(7) 0.0223(3) Uani 0.9401(17) 1 d D U P A
1
O2_6 O 0.16378(13) 0.33576(10) 0.65837(8) 0.0282(3) Uani 0.9401(17) 1 d D U P A
1
C2_6 C 0.0787(3) 0.2651(3) 0.62628(17) 0.0376(7) Uani 0.9401(17) 1 d D U P A 1
H2A_6 H -0.0016 0.2705 0.6520 0.056 Uiso 0.9401(17) 1 calc R U P A 1
H2B_6 H 0.1123 0.2006 0.6345 0.056 Uiso 0.9401(17) 1 calc R U P A 1
H2C_6 H 0.0683 0.2766 0.5707 0.056 Uiso 0.9401(17) 1 calc R U P A 1
C3_6 C 0.4346(5) 0.2889(5) 0.5506(4) 0.0476(8) Uani 0.9401(17) 1 d D U P A 1
H3A_6 H 0.4486 0.2409 0.5103 0.071 Uiso 0.9401(17) 1 calc R U P A 1
H3B_6 H 0.4925 0.2781 0.5935 0.071 Uiso 0.9401(17) 1 calc R U P A 1
H3C_6 H 0.4479 0.3531 0.5292 0.071 Uiso 0.9401(17) 1 calc R U P A 1
O3_6 O 0.30719(16) 0.28108(10) 0.57896(8) 0.0312(3) Uani 0.9401(17) 1 d . U P A
1
C1_1 C 0.292(4) 0.342(5) 0.622(3) 0.0224(5) Uani 0.0599(17) 1 d D U P A 2
O1_1 O 0.267(2) 0.3945(13) 0.6778(11) 0.0223(3) Uani 0.0599(17) 1 d D U P A 2
O2_1 O 0.225(2) 0.2775(15) 0.5913(12) 0.0282(3) Uani 0.0599(17) 1 d D U P A 2
C2_1 C 0.093(3) 0.270(6) 0.610(4) 0.0376(7) Uani 0.0599(17) 1 d D U P A 2
H2A_1 H 0.0577 0.3349 0.6132 0.056 Uiso 0.0599(17) 1 calc R U P A 2
H2B_1 H 0.0831 0.2375 0.6593 0.056 Uiso 0.0599(17) 1 calc R U P A 2
H2C_1 H 0.0506 0.2343 0.5690 0.056 Uiso 0.0599(17) 1 calc R U P A 2
C3_1 C 0.455(9) 0.290(9) 0.545(7) 0.0476(8) Uani 0.0599(17) 1 d D U P A 2
H3A_1 H 0.5332 0.3145 0.5244 0.071 Uiso 0.0599(17) 1 calc R U P A 2
H3B_1 H 0.3939 0.2861 0.5027 0.071 Uiso 0.0599(17) 1 calc R U P A 2
H3C_1 H 0.4680 0.2259 0.5665 0.071 Uiso 0.0599(17) 1 calc R U P A 2
O3_1 O 0.412(2) 0.3499(15) 0.6008(12) 0.0312(3) Uani 0.0599(17) 1 d . U P A 2
O1_4 O 0.228(2) 0.5801(13) 0.6801(9) 0.028(3) Uani 0.425(3) 1 d D U P A 1
C1_4 C 0.1851(7) 0.6229(6) 0.6144(5) 0.0265(16) Uani 0.425(3) 1 d D U P A 1
C2_4 C 0.1112(5) 0.7123(3) 0.6401(3) 0.0397(12) Uani 0.425(3) 1 d D U P A 1
F1_4 F -0.0024(11) 0.6877(11) 0.6635(8) 0.055(2) Uani 0.425(3) 1 d D U P A 1
F2_4 F 0.0950(4) 0.7736(2) 0.58151(19) 0.0442(9) Uani 0.425(3) 1 d D U P A 1
F3_4 F 0.1683(4) 0.7572(4) 0.6959(3) 0.0460(11) Uani 0.425(3) 1 d D U P A 1
C3_4 C 0.2979(5) 0.6549(3) 0.5651(2) 0.0329(10) Uani 0.425(3) 1 d D U P A 1
F4_4 F 0.3762(12) 0.5811(11) 0.5611(11) 0.0351(19) Uani 0.425(3) 1 d D U P A 1
F5_4 F 0.3562(7) 0.7284(6) 0.5966(4) 0.0520(15) Uani 0.425(3) 1 d D U P A 1
F6_4 F 0.2661(11) 0.6792(8) 0.4927(5) 0.0439(18) Uani 0.425(3) 1 d D U P A 1
C4_4 C 0.1029(5) 0.5545(4) 0.5654(3) 0.0418(12) Uani 0.425(3) 1 d D U P A 1
F7_4 F 0.1703(7) 0.4891(4) 0.5306(4) 0.0467(13) Uani 0.425(3) 1 d D U P A 1
F8_4 F 0.0377(4) 0.6020(3) 0.5114(2) 0.0701(14) Uani 0.425(3) 1 d D U P A 1
F9_4 F 0.0213(4) 0.5089(3) 0.6101(3) 0.0477(11) Uani 0.425(3) 1 d D U P A 1
O1_5 O 0.2202(14) 0.5741(10) 0.6794(6) 0.0208(16) Uani 0.575(3) 1 d D U P A 2
C1_5 C 0.1920(6) 0.6365(5) 0.6214(4) 0.0282(12) Uani 0.575(3) 1 d D U P A 2
C2_5 C 0.2460(5) 0.7381(3) 0.6374(2) 0.0498(11) Uani 0.575(3) 1 d D U P A 2
F1_5 F 0.2309(5) 0.7623(2) 0.71087(19) 0.0633(12) Uani 0.575(3) 1 d D U P A 2
F2_5 F 0.1930(5) 0.8049(2) 0.59459(16) 0.0790(13) Uani 0.575(3) 1 d D U P A 2
F3_5 F 0.3664(6) 0.7394(4) 0.6229(3) 0.0650(14) Uani 0.575(3) 1 d D U P A 2
C3_5 C 0.2447(4) 0.5977(3) 0.54425(17) 0.0327(8) Uani 0.575(3) 1 d D U P A 2
F4_5 F 0.1845(5) 0.5202(3) 0.5214(3) 0.0504(11) Uani 0.575(3) 1 d D U P A 2
F5_5 F 0.3629(10) 0.5731(9) 0.5512(9) 0.0415(19) Uani 0.575(3) 1 d D U P A 2
F6_5 F 0.2368(9) 0.6614(6) 0.4873(4) 0.057(2) Uani 0.575(3) 1 d D U P A 2
C4_5 C 0.0509(4) 0.6419(4) 0.6177(2) 0.0518(11) Uani 0.575(3) 1 d D U P A 2
F7_5 F 0.0017(3) 0.5569(3) 0.6227(2) 0.0654(10) Uani 0.575(3) 1 d D U P A 2
F8_5 F 0.0109(3) 0.6801(3) 0.55113(16) 0.0909(15) Uani 0.575(3) 1 d D U P A 2
F9_5 F 0.0078(9) 0.6926(8) 0.6778(6) 0.062(2) Uani 0.575(3) 1 d D U P A 2
O1_3 O 0.4727(2) 0.55637(17) 0.72449(16) 0.0235(5) Uani 0.867(8) 1 d D U P A 1
C1_3 C 0.5965(3) 0.5487(2) 0.73324(19) 0.0346(7) Uani 0.867(8) 1 d D U P A 1
C2_3 C 0.6519(3) 0.6491(3) 0.7172(2) 0.0503(9) Uani 0.867(8) 1 d D U P A 1
F1_3 F 0.6500(4) 0.6686(3) 0.64272(18) 0.0702(11) Uani 0.867(8) 1 d D U P A 1
F2_3 F 0.7695(2) 0.6560(3) 0.7422(2) 0.0772(11) Uani 0.867(8) 1 d D U P A 1
F3_3 F 0.5867(2) 0.71696(14) 0.75382(14) 0.0520(6) Uani 0.867(8) 1 d D U P A 1
C3_3 C 0.6300(3) 0.5166(3) 0.8165(2) 0.0435(9) Uani 0.867(8) 1 d D U P A 1
F4_3 F 0.5604(3) 0.4429(2) 0.8374(2) 0.0467(7) Uani 0.867(8) 1 d D U P A 1
F5_3 F 0.6083(3) 0.5873(2) 0.86638(18) 0.0480(7) Uani 0.867(8) 1 d D U P A 1
F6_3 F 0.7477(3) 0.4897(4) 0.8244(3) 0.0700(12) Uani 0.867(8) 1 d D U P A 1
C4_3 C 0.6516(3) 0.4757(3) 0.6746(2) 0.0509(9) Uani 0.867(8) 1 d D U P A 1
F7_3 F 0.6260(3) 0.38580(19) 0.6958(2) 0.0565(7) Uani 0.867(8) 1 d D U P A 1
F8_3 F 0.7739(2) 0.4826(3) 0.6681(2) 0.0818(12) Uani 0.867(8) 1 d D U P A 1
F9_3 F 0.6018(4) 0.4881(3) 0.60507(18) 0.0563(8) Uani 0.867(8) 1 d D U P A 1
O1_7 O 0.4709(15) 0.5259(19) 0.7154(12) 0.048(5) Uani 0.133(8) 1 d D U P A 2
C1_7 C 0.5909(16) 0.5518(12) 0.7288(9) 0.043(3) Uani 0.133(8) 1 d D U P A 2
C2_7 C 0.6670(19) 0.4963(14) 0.6671(11) 0.058(4) Uani 0.133(8) 1 d D U P A 2
F1_7 F 0.667(2) 0.4043(14) 0.6844(14) 0.074(5) Uani 0.133(8) 1 d D U P A 2
F2_7 F 0.7806(17) 0.5294(18) 0.6625(12) 0.070(5) Uani 0.133(8) 1 d D U P A 2
F3_7 F 0.618(3) 0.511(2) 0.5975(12) 0.068(7) Uani 0.133(8) 1 d D U P A 2
C3_7 C 0.616(2) 0.6601(12) 0.7187(10) 0.059(4) Uani 0.133(8) 1 d D U P A 2
F4_7 F 0.531(3) 0.7056(18) 0.7593(12) 0.103(6) Uani 0.133(8) 1 d D U P A 2
F5_7 F 0.609(2) 0.6880(16) 0.6448(9) 0.053(5) Uani 0.133(8) 1 d D U P A 2
F6_7 F 0.729(2) 0.6868(14) 0.7429(9) 0.063(5) Uani 0.133(8) 1 d D U P A 2
C4_7 C 0.6267(19) 0.5168(16) 0.8108(10) 0.045(4) Uani 0.133(8) 1 d D U P A 2
F7_7 F 0.573(2) 0.5665(19) 0.8671(12) 0.061(5) Uani 0.133(8) 1 d D U P A 2
F8_7 F 0.7473(17) 0.519(2) 0.8233(11) 0.052(5) Uani 0.133(8) 1 d D U P A 2
F9_7 F 0.580(3) 0.4298(15) 0.8228(15) 0.064(6) Uani 0.133(8) 1 d D U P A 2
O1_2 O 0.27841(12) 0.46204(9) 0.80936(7) 0.0241(3) Uani 1 1 d D U . . .
C1_2 C 0.20718(16) 0.48376(12) 0.87148(9) 0.0220(3) Uani 1 1 d D U . . .
C2_2 C 0.2382(2) 0.58419(15) 0.90370(11) 0.0350(4) Uani 1 1 d D U . . .
F1_2 F 0.34328(14) 0.58257(12) 0.94455(8) 0.0547(4) Uani 1 1 d D U . . .
F2_2 F 0.14894(14) 0.61907(9) 0.94870(7) 0.0481(3) Uani 1 1 d D U . . .
F3_2 F 0.25504(14) 0.64593(9) 0.84583(7) 0.0475(3) Uani 1 1 d D U . . .
C3_2 C 0.06765(17) 0.48084(13) 0.84886(10) 0.0264(4) Uani 1 1 d D U . . .
F4_2 F 0.04484(11) 0.40766(9) 0.80230(7) 0.0385(3) Uani 1 1 d D U . . .
F5_2 F 0.03557(11) 0.56043(9) 0.81105(7) 0.0378(3) Uani 1 1 d D U . . .
F6_2 F -0.00562(11) 0.47282(10) 0.91015(7) 0.0387(3) Uani 1 1 d D U . . .
C4_2 C 0.23265(19) 0.40661(15) 0.93407(10) 0.0329(4) Uani 1 1 d D U . . .
F7_2 F 0.18127(13) 0.32378(8) 0.91513(7) 0.0433(3) Uani 1 1 d D U . . .
F8_2 F 0.18911(13) 0.43223(10) 1.00332(6) 0.0451(3) Uani 1 1 d D U . . .
F9_2 F 0.35342(12) 0.39198(11) 0.94158(7) 0.0494(4) Uani 1 1 d D U . . .
Al1 Al 0.32926(5) 0.50349(3) 0.72224(3) 0.01615(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1_6 O1_6 1.248(2) . ?
C1_6 O2_6 1.287(3) . ?
C1_6 O3_6 1.294(2) . ?
O1_6 Al1 1.8091(13) . ?
O2_6 C2_6 1.457(4) . ?
C2_6 H2A_6 0.9800 . ?
C2_6 H2B_6 0.9800 . ?
C2_6 H2C_6 0.9800 . ?
C3_6 O3_6 1.468(4) . ?
C3_6 H3A_6 0.9800 . ?
C3_6 H3B_6 0.9800 . ?
C3_6 H3C_6 0.9800 . ?
C1_1 O1_1 1.234(19) . ?
C1_1 O2_1 1.272(19) . ?
C1_1 O3_1 1.36(4) . ?
O1_1 Al1 1.832(18) . ?
O2_1 C2_1 1.47(2) . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 O3_1 1.36(8) . ?
C3_1 H3A_1 0.9800 . ?
C3_1 H3B_1 0.9800 . ?
C3_1 H3C_1 0.9800 . ?
O1_4 C1_4 1.364(11) . ?
O1_4 Al1 1.694(15) . ?
C1_4 C2_4 1.548(8) . ?
C1_4 C4_4 1.553(9) . ?
C1_4 C3_4 1.555(8) . ?
C2_4 F3_4 1.304(7) . ?
C2_4 F2_4 1.337(5) . ?
C2_4 F1_4 1.338(10) . ?
C3_4 F5_4 1.322(7) . ?
C3_4 F4_4 1.335(10) . ?
C3_4 F6_4 1.342(9) . ?
C4_4 F7_4 1.316(8) . ?
C4_4 F9_4 1.335(6) . ?
C4_4 F8_4 1.344(5) . ?
O1_5 C1_5 1.363(8) . ?
O1_5 Al1 1.704(11) . ?
C1_5 C4_5 1.528(7) . ?
C1_5 C3_5 1.551(6) . ?
C1_5 C2_5 1.557(7) . ?
C2_5 F2_5 1.321(5) . ?
C2_5 F3_5 1.325(7) . ?
C2_5 F1_5 1.326(5) . ?
C3_5 F4_5 1.322(6) . ?
C3_5 F5_5 1.328(9) . ?
C3_5 F6_5 1.330(7) . ?
C4_5 F7_5 1.304(6) . ?
C4_5 F8_5 1.339(4) . ?
C4_5 F9_5 1.342(9) . ?
O1_3 C1_3 1.350(3) . ?
O1_3 Al1 1.717(2) . ?
C1_3 C2_3 1.549(4) . ?
C1_3 C3_3 1.550(4) . ?
C1_3 C4_3 1.557(4) . ?
C2_3 F1_3 1.317(4) . ?
C2_3 F3_3 1.340(4) . ?
C2_3 F2_3 1.344(4) . ?
C3_3 F4_3 1.326(4) . ?
C3_3 F5_3 1.333(4) . ?
C3_3 F6_3 1.333(4) . ?
C4_3 F9_3 1.327(4) . ?
C4_3 F8_3 1.331(3) . ?
C4_3 F7_3 1.337(4) . ?
O1_7 C1_7 1.366(14) . ?
O1_7 Al1 1.567(16) . ?
C1_7 C3_7 1.545(12) . ?
C1_7 C4_7 1.549(12) . ?
C1_7 C2_7 1.555(13) . ?
C2_7 F2_7 1.315(13) . ?
C2_7 F1_7 1.318(13) . ?
C2_7 F3_7 1.330(13) . ?
C3_7 F4_7 1.322(13) . ?
C3_7 F5_7 1.338(12) . ?
C3_7 F6_7 1.342(13) . ?
C4_7 F8_7 1.321(13) . ?
C4_7 F7_7 1.330(13) . ?
C4_7 F9_7 1.333(13) . ?
O1_2 C1_2 1.3582(19) . ?
O1_2 Al1 1.7067(12) . ?
C1_2 C2_2 1.545(3) . ?
C1_2 C4_2 1.551(2) . ?
C1_2 C3_2 1.557(3) . ?
C2_2 F3_2 1.334(2) . ?
C2_2 F2_2 1.334(2) . ?
C2_2 F1_2 1.335(3) . ?
C3_2 F4_2 1.323(2) . ?
C3_2 F6_2 1.330(2) . ?
C3_2 F5_2 1.334(2) . ?
C4_2 F7_2 1.323(3) . ?
C4_2 F9_2 1.327(2) . ?
C4_2 F8_2 1.337(2) . ?

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_6 C1_6 O2_6 120.0(2) . . ?
O1_6 C1_6 O3_6 122.1(2) . . ?
O2_6 C1_6 O3_6 117.85(19) . . ?
C1_6 O1_6 Al1 133.11(17) . . ?
C1_6 O2_6 C2_6 119.6(2) . . ?
O2_6 C2_6 H2A_6 109.5 . . ?
O2_6 C2_6 H2B_6 109.5 . . ?
H2A_6 C2_6 H2B_6 109.5 . . ?
O2_6 C2_6 H2C_6 109.5 . . ?
H2A_6 C2_6 H2C_6 109.5 . . ?
H2B_6 C2_6 H2C_6 109.5 . . ?
O3_6 C3_6 H3A_6 109.5 . . ?
O3_6 C3_6 H3B_6 109.5 . . ?
H3A_6 C3_6 H3B_6 109.5 . . ?
O3_6 C3_6 H3C_6 109.5 . . ?
H3A_6 C3_6 H3C_6 109.5 . . ?
H3B_6 C3_6 H3C_6 109.5 . . ?
C1_6 O3_6 C3_6 116.4(3) . . ?
O1_1 C1_1 O2_1 129(3) . . ?
O1_1 C1_1 O3_1 112(2) . . ?
O2_1 C1_1 O3_1 118(2) . . ?
C1_1 O1_1 Al1 137(2) . . ?
C1_1 O2_1 C2_1 120(3) . . ?
O2_1 C2_1 H2A_1 109.5 . . ?
O2_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
O2_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
O3_1 C3_1 H3A_1 109.5 . . ?
O3_1 C3_1 H3B_1 109.5 . . ?
H3A_1 C3_1 H3B_1 109.5 . . ?
O3_1 C3_1 H3C_1 109.5 . . ?
H3A_1 C3_1 H3C_1 109.5 . . ?
H3B_1 C3_1 H3C_1 109.5 . . ?
C1_1 O3_1 C3_1 118(5) . . ?
C1_4 O1_4 Al1 148.4(16) . . ?
O1_4 C1_4 C2_4 106.7(10) . . ?
O1_4 C1_4 C4_4 112.1(10) . . ?
C2_4 C1_4 C4_4 111.0(6) . . ?
O1_4 C1_4 C3_4 108.6(11) . . ?
C2_4 C1_4 C3_4 109.4(6) . . ?
C4_4 C1_4 C3_4 109.0(6) . . ?
F3_4 C2_4 F2_4 108.3(5) . . ?
F3_4 C2_4 F1_4 109.4(7) . . ?
F2_4 C2_4 F1_4 106.0(8) . . ?
F3_4 C2_4 C1_4 110.9(5) . . ?
F2_4 C2_4 C1_4 111.4(5) . . ?
F1_4 C2_4 C1_4 110.8(8) . . ?
F5_4 C3_4 F4_4 108.6(9) . . ?
F5_4 C3_4 F6_4 108.0(6) . . ?
F4_4 C3_4 F6_4 107.9(10) . . ?
F5_4 C3_4 C1_4 111.8(5) . . ?
F4_4 C3_4 C1_4 107.7(9) . . ?
F6_4 C3_4 C1_4 112.7(7) . . ?
F7_4 C4_4 F9_4 107.6(5) . . ?
F7_4 C4_4 F8_4 108.2(5) . . ?
F9_4 C4_4 F8_4 107.0(5) . . ?
F7_4 C4_4 C1_4 111.1(6) . . ?
F9_4 C4_4 C1_4 110.8(5) . . ?
F8_4 C4_4 C1_4 111.9(5) . . ?
C1_5 O1_5 Al1 147.4(12) . . ?
O1_5 C1_5 C4_5 106.5(8) . . ?
O1_5 C1_5 C3_5 109.1(7) . . ?
C4_5 C1_5 C3_5 110.5(4) . . ?
O1_5 C1_5 C2_5 111.6(8) . . ?
C4_5 C1_5 C2_5 109.7(5) . . ?
C3_5 C1_5 C2_5 109.4(4) . . ?
F2_5 C2_5 F3_5 107.9(4) . . ?
F2_5 C2_5 F1_5 107.6(4) . . ?
F3_5 C2_5 F1_5 107.6(5) . . ?
F2_5 C2_5 C1_5 112.4(5) . . ?
F3_5 C2_5 C1_5 110.3(4) . . ?
F1_5 C2_5 C1_5 110.8(4) . . ?
F4_5 C3_5 F5_5 106.7(7) . . ?
F4_5 C3_5 F6_5 107.1(5) . . ?
F5_5 C3_5 F6_5 107.4(8) . . ?
F4_5 C3_5 C1_5 111.2(4) . . ?
F5_5 C3_5 C1_5 111.6(7) . . ?
F6_5 C3_5 C1_5 112.4(6) . . ?
F7_5 C4_5 F8_5 106.8(4) . . ?
F7_5 C4_5 F9_5 106.6(6) . . ?
F8_5 C4_5 F9_5 110.2(6) . . ?
F7_5 C4_5 C1_5 111.1(4) . . ?
F8_5 C4_5 C1_5 112.0(4) . . ?
F9_5 C4_5 C1_5 110.0(6) . . ?
C1_3 O1_3 Al1 149.6(2) . . ?
O1_3 C1_3 C2_3 107.0(3) . . ?
O1_3 C1_3 C3_3 110.8(3) . . ?
C2_3 C1_3 C3_3 109.8(2) . . ?
O1_3 C1_3 C4_3 111.1(2) . . ?
C2_3 C1_3 C4_3 109.0(3) . . ?
C3_3 C1_3 C4_3 109.1(3) . . ?
F1_3 C2_3 F3_3 108.1(3) . . ?
F1_3 C2_3 F2_3 108.2(3) . . ?
F3_3 C2_3 F2_3 107.1(3) . . ?
F1_3 C2_3 C1_3 110.9(3) . . ?
F3_3 C2_3 C1_3 110.5(2) . . ?
F2_3 C2_3 C1_3 111.9(3) . . ?
F4_3 C3_3 F5_3 107.2(3) . . ?
F4_3 C3_3 F6_3 107.2(3) . . ?
F5_3 C3_3 F6_3 108.2(3) . . ?
F4_3 C3_3 C1_3 110.3(3) . . ?
F5_3 C3_3 C1_3 110.3(3) . . ?
F6_3 C3_3 C1_3 113.4(3) . . ?
F9_3 C4_3 F8_3 108.2(3) . . ?
F9_3 C4_3 F7_3 106.7(3) . . ?
F8_3 C4_3 F7_3 107.3(3) . . ?
F9_3 C4_3 C1_3 110.6(3) . . ?
F8_3 C4_3 C1_3 113.0(3) . . ?
F7_3 C4_3 C1_3 110.9(3) . . ?
C1_7 O1_7 Al1 165.3(17) . . ?
O1_7 C1_7 C3_7 113.9(13) . . ?
O1_7 C1_7 C4_7 107.8(13) . . ?
C3_7 C1_7 C4_7 111.7(12) . . ?
O1_7 C1_7 C2_7 104.8(13) . . ?
C3_7 C1_7 C2_7 108.5(12) . . ?
C4_7 C1_7 C2_7 109.9(12) . . ?
F2_7 C2_7 F1_7 110.7(15) . . ?
F2_7 C2_7 F3_7 105.0(16) . . ?
F1_7 C2_7 F3_7 111.0(17) . . ?
F2_7 C2_7 C1_7 111.3(14) . . ?
F1_7 C2_7 C1_7 109.3(14) . . ?
F3_7 C2_7 C1_7 109.5(16) . . ?
F4_7 C3_7 F5_7 109.5(15) . . ?
F4_7 C3_7 F6_7 109.5(15) . . ?
F5_7 C3_7 F6_7 105.2(14) . . ?
F4_7 C3_7 C1_7 106.8(14) . . ?
F5_7 C3_7 C1_7 112.6(14) . . ?
F6_7 C3_7 C1_7 113.2(13) . . ?
F8_7 C4_7 F7_7 107.4(16) . . ?
F8_7 C4_7 F9_7 112.1(18) . . ?
F7_7 C4_7 F9_7 101.2(15) . . ?
F8_7 C4_7 C1_7 112.6(14) . . ?
F7_7 C4_7 C1_7 113.4(15) . . ?
F9_7 C4_7 C1_7 109.6(16) . . ?
C1_2 O1_2 Al1 143.90(11) . . ?
O1_2 C1_2 C2_2 111.40(15) . . ?
O1_2 C1_2 C4_2 107.32(14) . . ?
C2_2 C1_2 C4_2 109.90(15) . . ?
O1_2 C1_2 C3_2 110.25(14) . . ?
C2_2 C1_2 C3_2 108.86(15) . . ?
C4_2 C1_2 C3_2 109.07(15) . . ?
F3_2 C2_2 F2_2 107.63(18) . . ?
F3_2 C2_2 F1_2 106.88(17) . . ?
F2_2 C2_2 F1_2 108.22(16) . . ?
F3_2 C2_2 C1_2 110.21(15) . . ?
F2_2 C2_2 C1_2 112.65(16) . . ?
F1_2 C2_2 C1_2 111.02(17) . . ?
F4_2 C3_2 F6_2 108.06(15) . . ?
F4_2 C3_2 F5_2 107.26(15) . . ?
F6_2 C3_2 F5_2 107.83(15) . . ?
F4_2 C3_2 C1_2 110.58(14) . . ?
F6_2 C3_2 C1_2 112.36(14) . . ?
F5_2 C3_2 C1_2 110.56(15) . . ?
F7_2 C4_2 F9_2 107.55(17) . . ?
F7_2 C4_2 F8_2 107.87(16) . . ?
F9_2 C4_2 F8_2 107.59(16) . . ?
F7_2 C4_2 C1_2 111.13(16) . . ?
F9_2 C4_2 C1_2 110.33(15) . . ?
F8_2 C4_2 C1_2 112.18(16) . . ?
O1_7 Al1 O1_5 121.7(10) . . ?
O1_7 Al1 O1_2 116.9(8) . . ?
O1_4 Al1 O1_2 112.6(7) . . ?
O1_5 Al1 O1_2 110.8(5) . . ?
O1_4 Al1 O1_3 108.7(8) . . ?
O1_2 Al1 O1_3 114.77(11) . . ?
O1_4 Al1 O1_6 109.1(6) . . ?
O1_2 Al1 O1_6 106.95(6) . . ?
O1_3 Al1 O1_6 104.31(9) . . ?
O1_7 Al1 O1_1 119.5(12) . . ?
O1_5 Al1 O1_1 92.6(8) . . ?
O1_2 Al1 O1_1 88.3(6) . . ?

_refine_diff_density_max         0.390
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.058


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/DMC'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_twin5_a
_database_code_depnum_ccdc_archive 'CCDC 1845813'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 Al F36 O4, C12 H8 Ag F4'
_chemical_formula_sum            'C28 H8 Ag Al F40 O4'
_chemical_formula_weight         1303.19

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'
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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.1565(5)
_cell_length_b                   18.4564(6)
_cell_length_c                   14.6510(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.200(2)
_cell_angle_gamma                90
_cell_volume                     3827.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9655
_cell_measurement_theta_min      2.267
_cell_measurement_theta_max      28.322

_exptl_crystal_description       bloc
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.262
_exptl_crystal_F_000             2512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.785
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.683262
_exptl_absorpt_correction_T_max  0.746333
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsourc e'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9266
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.775
_diffrn_reflns_theta_max         27.100
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9266
_reflns_number_gt                6941
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 V2014.11-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ShelXle-786
_refine_special_details          'Refined as a 2-component twin.,Twin'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+2.9235P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9266
_refine_ls_number_parameters     697
_refine_ls_number_restraints     3079
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1172
_refine_ls_wR_factor_gt          0.1066
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      0.926
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ag1 Ag 0.50936(6) 0.49207(4) 1.02422(4) 0.0483(2) Uani 0.5 1 d . . P A -1
Al03 Al 0.63296(5) 0.24650(4) 0.47310(5) 0.01391(16) Uani 1 1 d . . . . .
Ag2 Ag 1.00996(19) 0.49582(15) 0.51405(15) 0.0446(4) Uani 0.5 1 d . . P B -1
O1_1 O 0.64324(13) 0.19046(9) 0.37941(12) 0.0177(4) Uani 1 1 d D U . . .
C1_1 C 0.67180(18) 0.12623(14) 0.34626(18) 0.0177(5) Uani 1 1 d D U . . .
C2_1 C 0.62942(19) 0.11949(14) 0.24822(19) 0.0217(6) Uani 1 1 d D U . . .
F1_1 F 0.53682(12) 0.13114(10) 0.24706(12) 0.0312(4) Uani 1 1 d D U . . .
F2_1 F 0.64260(14) 0.05362(9) 0.21194(12) 0.0372(5) Uani 1 1 d D U . . .
F3_1 F 0.66753(13) 0.16716(10) 0.19221(11) 0.0336(4) Uani 1 1 d D U . . .
C3_1 C 0.78171(19) 0.12396(15) 0.34235(19) 0.0217(6) Uani 1 1 d D U . . .
F4_1 F 0.8171(19) 0.1405(15) 0.4250(11) 0.0277(5) Uani 0.091(7) 1 d D U P C 1
F5_1 F 0.8201(15) 0.1629(14) 0.2789(15) 0.0296(6) Uani 0.091(7) 1 d D U P C 1
F6_1 F 0.8095(16) 0.0542(8) 0.328(2) 0.0310(6) Uani 0.091(7) 1 d D U P C 1
C4_1 C 0.63725(19) 0.06177(14) 0.4055(2) 0.0230(6) Uani 1 1 d D U . . .
F7_1 F 0.6505(2) 0.07690(14) 0.49391(15) 0.0296(6) Uani 0.912(7) 1 d D U P D 1
F8_1 F 0.6856(2) 0.00062(9) 0.38867(17) 0.0288(6) Uani 0.912(7) 1 d D U P D 1
F9_1 F 0.54702(15) 0.04765(15) 0.39128(19) 0.0321(6) Uani 0.912(7) 1 d D U P D
1
F4 F 0.82046(16) 0.11348(16) 0.42508(14) 0.0277(5) Uani 0.909(7) 1 d D . P C 2
F5 F 0.81547(14) 0.18649(13) 0.31170(19) 0.0296(6) Uani 0.909(7) 1 d D . P C 2
F6 F 0.81407(15) 0.07187(14) 0.2884(2) 0.0310(6) Uani 0.909(7) 1 d D . P C 2
F7 F 0.674(2) 0.0583(16) 0.4832(19) 0.0296(6) Uani 0.088(7) 1 d D . P D 2
F8 F 0.643(2) -0.0006(10) 0.3601(17) 0.0288(6) Uani 0.088(7) 1 d D . P D 2
F9 F 0.5389(16) 0.0717(15) 0.417(2) 0.0321(6) Uani 0.088(7) 1 d D . P D 2
O1_2 O 0.73359(13) 0.23522(10) 0.53990(13) 0.0211(4) Uani 1 1 d D U . . .
C1_2 C 0.77915(19) 0.24497(14) 0.62106(18) 0.0202(5) Uani 1 1 d D U . . .
C2_2 C 0.8863(2) 0.23086(15) 0.60552(19) 0.0237(6) Uani 1 1 d D U . . .
F1_2 F 0.90378(12) 0.15949(9) 0.59825(12) 0.0305(4) Uani 1 1 d D U . . .
F2_2 F 0.94066(12) 0.25588(9) 0.67304(13) 0.0305(4) Uani 1 1 d D U . . .
F3_2 F 0.91329(12) 0.26098(10) 0.52839(12) 0.0337(4) Uani 1 1 d D U . . .
C3_2 C 0.7665(2) 0.32382(15) 0.6568(2) 0.0259(6) Uani 1 1 d D U . . .
F4_2 F 0.67744(13) 0.34483(10) 0.64488(12) 0.0355(4) Uani 1 1 d D U . . .
F5_2 F 0.82070(14) 0.36989(9) 0.61093(13) 0.0355(4) Uani 1 1 d D U . . .
F6_2 F 0.78890(14) 0.33038(10) 0.74522(12) 0.0353(4) Uani 1 1 d D U . . .
C4_2 C 0.7425(2) 0.19071(16) 0.69322(19) 0.0262(6) Uani 1 1 d D U . . .
F7_2 F 0.65916(13) 0.21231(11) 0.72464(12) 0.0382(4) Uani 1 1 d D U . . .
F8_2 F 0.80146(13) 0.18352(10) 0.76460(11) 0.0320(4) Uani 1 1 d D U . . .
F9_2 F 0.72980(14) 0.12562(9) 0.65699(12) 0.0365(4) Uani 1 1 d D U . . .
O1_3 O 0.53670(12) 0.22446(10) 0.53807(12) 0.0175(4) Uani 1 1 d D U . . .
C1_3 C 0.44189(18) 0.23163(14) 0.54413(18) 0.0176(5) Uani 1 1 d D U . . .
C2_3 C 0.4106(2) 0.18539(15) 0.62735(19) 0.0242(6) Uani 1 1 d D U . . .
F1_3 F 0.45183(13) 0.12117(9) 0.62627(12) 0.0315(4) Uani 1 1 d D U . . .
F2_3 F 0.31723(12) 0.17498(10) 0.62712(12) 0.0335(4) Uani 1 1 d D U . . .
F3_3 F 0.43535(13) 0.21752(10) 0.70544(11) 0.0326(4) Uani 1 1 d D U . . .
C3_3 C 0.41460(19) 0.31227(15) 0.5609(2) 0.0243(6) Uani 1 1 d D U . . .
F4_3 F 0.41483(12) 0.35023(9) 0.48330(12) 0.0297(4) Uani 1 1 d D U . . .
F5_3 F 0.47606(13) 0.34354(9) 0.61813(13) 0.0346(4) Uani 1 1 d D U . . .
F6_3 F 0.32876(12) 0.31941(9) 0.59600(12) 0.0314(4) Uani 1 1 d D U . . .
C4_3 C 0.38983(19) 0.20478(16) 0.45663(19) 0.0239(6) Uani 1 1 d D U . . .
F7_3 F 0.43419(11) 0.22732(10) 0.38305(11) 0.0294(4) Uani 1 1 d D U . . .
F8_3 F 0.30030(11) 0.22856(10) 0.45061(12) 0.0316(4) Uani 1 1 d D U . . .
F9_3 F 0.38681(13) 0.13267(10) 0.45372(12) 0.0345(4) Uani 1 1 d D U . . .
O1_4 O 0.61892(13) 0.33456(9) 0.43555(12) 0.0183(4) Uani 1 1 d D U . . .
C1_4 C 0.64303(18) 0.38622(13) 0.37554(17) 0.0169(5) Uani 1 1 d D U . . .
C2_4 C 0.5944(2) 0.37192(16) 0.2816(2) 0.0273(6) Uani 1 1 d D U . . .
F1_4 F 0.63779(14) 0.31884(10) 0.23728(12) 0.0363(4) Uani 1 1 d D U . . .
F2_4 F 0.59450(14) 0.43145(10) 0.22736(12) 0.0374(4) Uani 1 1 d D U . . .
F3_4 F 0.50406(13) 0.35401(10) 0.29229(12) 0.0355(4) Uani 1 1 d D U . . .
C3_4 C 0.6100(2) 0.46003(15) 0.4131(2) 0.0280(6) Uani 1 1 d D U . . .
F4_4 F 0.62783(13) 0.46478(9) 0.50237(11) 0.0295(4) Uani 1 1 d D U . . .
F5_4 F 0.51690(13) 0.46888(10) 0.39850(13) 0.0364(4) Uani 1 1 d D U . . .
F6_4 F 0.65479(14) 0.51616(9) 0.37415(12) 0.0332(4) Uani 1 1 d D U . . .
C4_4 C 0.7521(2) 0.38881(15) 0.36272(19) 0.0246(6) Uani 1 1 d D U . . .
F7_4 F 0.79412(12) 0.42451(10) 0.43285(12) 0.0352(4) Uani 1 1 d D U . . .
F8_4 F 0.77583(12) 0.42188(9) 0.28527(12) 0.0304(4) Uani 1 1 d D U . . .
F9_4 F 0.78768(12) 0.32291(9) 0.36077(13) 0.0317(4) Uani 1 1 d D U . . .
C1_5 C 0.9730(2) 0.60089(17) 0.5893(2) 0.0357(7) Uani 1 1 d . . . . .
H1_5 H 1.0304 0.6227 0.5713 0.043 Uiso 1 1 calc R U . B .
F1_5 F 0.87958(18) 0.49499(11) 0.77408(14) 0.0520(6) Uani 1 1 d . . . . .
C2_5 C 0.9701(2) 0.56127(17) 0.6704(2) 0.0343(7) Uani 1 1 d . . . . .
H2_5 H 1.0255 0.5547 0.7071 0.041 Uiso 1 1 calc R U . B .
F2_5 F 0.72409(14) 0.51279(11) 0.67258(16) 0.0478(5) Uani 1 1 d . . . . .
C3_5 C 0.8858(2) 0.53201(16) 0.6961(2) 0.0327(7) Uani 1 1 d . . . . .
C4_5 C 0.8047(2) 0.54067(16) 0.6432(2) 0.0300(7) Uani 1 1 d . . . . .
C5_5 C 0.8069(2) 0.57803(17) 0.5623(2) 0.0328(7) Uani 1 1 d . . . . .
H5_5 H 0.7513 0.5830 0.5255 0.039 Uiso 1 1 calc R U . . .
C6_5 C 0.8916(3) 0.60848(17) 0.5350(2) 0.0342(7) Uani 1 1 d . . . . .
H6_5 H 0.8940 0.6345 0.4791 0.041 Uiso 1 1 calc R U . B .
C1_6 C 0.6417(2) 0.47096(18) 0.9359(2) 0.0334(7) Uani 1 1 d . . . . .
H1_6 H 0.6701 0.5161 0.9513 0.040 Uiso 1 1 calc R U . A .
F1_6 F 0.52725(15) 0.27392(12) 0.86775(15) 0.0489(6) Uani 1 1 d . . . . .
C2_6 C 0.5936(2) 0.46259(19) 0.8527(2) 0.0365(8) Uani 1 1 d . . . . .
H2_6 H 0.5878 0.5025 0.8120 0.044 Uiso 1 1 calc R U . . .
F2_6 F 0.61440(13) 0.29049(10) 1.02902(14) 0.0390(5) Uani 1 1 d . . . . .
C3_6 C 0.5540(2) 0.3961(2) 0.8289(2) 0.0363(8) Uani 1 1 d . . . . .
H3_6 H 0.5214 0.3900 0.7721 0.044 Uiso 1 1 calc R U . . .
C4_6 C 0.5630(2) 0.33930(17) 0.8893(2) 0.0306(7) Uani 1 1 d . . . . .
C5_6 C 0.6080(2) 0.34740(16) 0.9726(2) 0.0269(6) Uani 1 1 d . . . . .
C6_6 C 0.6482(2) 0.41252(17) 0.9970(2) 0.0293(7) Uani 1 1 d . . . . .
H6_6 H 0.6800 0.4179 1.0543 0.035 Uiso 1 1 calc R U . A .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ag1 Ag1 0.8074(12) 3_667 ?
Ag1 C1_6 2.332(3) . ?
Ag1 C6_6 2.493(3) . ?
Al03 O1_2 1.724(2) . ?
Al03 O1_4 1.7260(19) . ?
Al03 O1_3 1.7270(18) . ?
Al03 O1_1 1.7273(19) . ?
Ag2 C1_5 2.297(4) . ?
Ag2 C2_5 2.661(4) . ?
Ag2 C6_5 2.692(4) . ?
O1_1 C1_1 1.346(3) . ?
C1_1 C2_1 1.550(4) . ?
C1_1 C4_1 1.557(4) . ?
C1_1 C3_1 1.559(4) . ?
C2_1 F3_1 1.326(3) . ?
C2_1 F1_1 1.328(3) . ?
C2_1 F2_1 1.341(3) . ?
C3_1 F5_1 1.302(12) . ?
C3_1 F5 1.331(3) . ?
C3_1 F6 1.332(3) . ?
C3_1 F4 1.334(3) . ?
C3_1 F4_1 1.336(13) . ?
C3_1 F6_1 1.364(12) . ?
C4_1 F7 1.24(2) . ?
C4_1 F9_1 1.316(3) . ?
C4_1 F8 1.332(19) . ?
C4_1 F7_1 1.335(4) . ?
C4_1 F8_1 1.346(3) . ?
C4_1 F9 1.42(2) . ?
O1_2 C1_2 1.353(3) . ?
C1_2 C4_2 1.553(4) . ?
C1_2 C3_2 1.558(4) . ?
C1_2 C2_2 1.561(4) . ?
C2_2 F3_2 1.323(3) . ?
C2_2 F2_2 1.323(3) . ?
C2_2 F1_2 1.345(3) . ?
C3_2 F4_2 1.328(3) . ?
C3_2 F6_2 1.333(3) . ?
C3_2 F5_2 1.335(3) . ?
C4_2 F9_2 1.324(3) . ?
C4_2 F8_2 1.331(3) . ?
C4_2 F7_2 1.336(3) . ?
O1_3 C1_3 1.354(3) . ?
C1_3 C4_3 1.547(4) . ?
C1_3 C3_3 1.559(4) . ?
C1_3 C2_3 1.560(4) . ?
C2_3 F1_3 1.322(3) . ?
C2_3 F3_3 1.329(3) . ?
C2_3 F2_3 1.335(3) . ?
C3_3 F5_3 1.327(3) . ?
C3_3 F6_3 1.336(3) . ?
C3_3 F4_3 1.336(3) . ?
C4_3 F7_3 1.326(3) . ?
C4_3 F9_3 1.332(3) . ?
C4_3 F8_3 1.342(3) . ?
O1_4 C1_4 1.346(3) . ?
C1_4 C3_4 1.545(4) . ?
C1_4 C2_4 1.549(4) . ?
C1_4 C4_4 1.560(4) . ?
C2_4 F1_4 1.332(3) . ?
C2_4 F3_4 1.333(3) . ?
C2_4 F2_4 1.356(3) . ?
C3_4 F4_4 1.330(3) . ?
C3_4 F5_4 1.340(3) . ?
C3_4 F6_4 1.348(3) . ?
C4_4 F9_4 1.317(3) . ?
C4_4 F8_4 1.337(3) . ?
C4_4 F7_4 1.348(3) . ?
C1_5 C6_5 1.394(5) . ?
C1_5 C2_5 1.396(5) . ?
C1_5 H1_5 0.9500 . ?
F1_5 C3_5 1.335(4) . ?
C2_5 C3_5 1.369(5) . ?
C2_5 H2_5 0.9500 . ?
F2_5 C4_5 1.332(4) . ?
C3_5 C4_5 1.381(5) . ?
C4_5 C5_5 1.371(5) . ?
C5_5 C6_5 1.390(5) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C1_6 C2_6 1.393(5) . ?
C1_6 C6_6 1.403(5) . ?
C1_6 Ag1 2.331(3) 3_667 ?
C1_6 H1_6 0.9500 . ?
F1_6 C4_6 1.344(4) . ?
C2_6 C3_6 1.391(5) . ?
C2_6 Ag1 2.487(3) 3_667 ?
C2_6 H2_6 0.9500 . ?
F2_6 C5_6 1.338(4) . ?
C3_6 C4_6 1.377(5) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.373(5) . ?
C5_6 C6_6 1.374(4) . ?
C6_6 H6_6 0.9500 . ?

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
Ag1 Ag1 C1_6 79.96(14) 3_667 . ?
Ag1 Ag1 C6_6 108.55(14) 3_667 . ?
C1_6 Ag1 C6_6 33.60(11) . . ?
O1_2 Al03 O1_4 112.52(10) . . ?
O1_2 Al03 O1_3 108.11(10) . . ?
O1_4 Al03 O1_3 108.09(9) . . ?
O1_2 Al03 O1_1 107.24(9) . . ?
O1_4 Al03 O1_1 108.76(9) . . ?
O1_3 Al03 O1_1 112.18(10) . . ?
C1_5 Ag2 C2_5 31.64(12) . . ?
C1_5 Ag2 C6_5 31.19(12) . . ?
C2_5 Ag2 C6_5 53.67(11) . . ?
C1_1 O1_1 Al03 147.65(17) . . ?
O1_1 C1_1 C2_1 107.0(2) . . ?
O1_1 C1_1 C4_1 111.8(2) . . ?
C2_1 C1_1 C4_1 109.6(2) . . ?
O1_1 C1_1 C3_1 110.2(2) . . ?
C2_1 C1_1 C3_1 109.3(2) . . ?
C4_1 C1_1 C3_1 109.0(2) . . ?
F3_1 C2_1 F1_1 107.4(2) . . ?
F3_1 C2_1 F2_1 107.1(2) . . ?
F1_1 C2_1 F2_1 106.7(2) . . ?
F3_1 C2_1 C1_1 111.5(2) . . ?
F1_1 C2_1 C1_1 111.2(2) . . ?
F2_1 C2_1 C1_1 112.7(2) . . ?
F5 C3_1 F6 107.2(2) . . ?
F5 C3_1 F4 106.8(2) . . ?
F6 C3_1 F4 107.2(2) . . ?
F5_1 C3_1 F4_1 111.5(14) . . ?
F5_1 C3_1 F6_1 106.4(12) . . ?
F4_1 C3_1 F6_1 104.7(12) . . ?
F5_1 C3_1 C1_1 116.3(10) . . ?
F5 C3_1 C1_1 110.8(2) . . ?
F6 C3_1 C1_1 113.4(2) . . ?
F4 C3_1 C1_1 111.2(2) . . ?
F4_1 C3_1 C1_1 108.4(12) . . ?
F6_1 C3_1 C1_1 108.8(10) . . ?
F7 C4_1 F8 112.5(14) . . ?
F9_1 C4_1 F7_1 108.1(2) . . ?
F9_1 C4_1 F8_1 107.5(2) . . ?
F7_1 C4_1 F8_1 106.9(2) . . ?
F7 C4_1 F9 106.7(15) . . ?
F8 C4_1 F9 104.1(13) . . ?
F7 C4_1 C1_1 114.9(15) . . ?
F9_1 C4_1 C1_1 112.2(2) . . ?
F8 C4_1 C1_1 111.0(10) . . ?
F7_1 C4_1 C1_1 110.0(2) . . ?
F8_1 C4_1 C1_1 111.8(2) . . ?
F9 C4_1 C1_1 106.8(11) . . ?
C1_2 O1_2 Al03 148.87(18) . . ?
O1_2 C1_2 C4_2 110.6(2) . . ?
O1_2 C1_2 C3_2 111.3(2) . . ?
C4_2 C1_2 C3_2 109.4(2) . . ?
O1_2 C1_2 C2_2 107.3(2) . . ?
C4_2 C1_2 C2_2 109.3(2) . . ?
C3_2 C1_2 C2_2 108.9(2) . . ?
F3_2 C2_2 F2_2 108.6(2) . . ?
F3_2 C2_2 F1_2 106.7(2) . . ?
F2_2 C2_2 F1_2 107.2(2) . . ?
F3_2 C2_2 C1_2 110.7(2) . . ?
F2_2 C2_2 C1_2 112.6(2) . . ?
F1_2 C2_2 C1_2 110.8(2) . . ?
F4_2 C3_2 F6_2 107.9(2) . . ?
F4_2 C3_2 F5_2 107.6(2) . . ?
F6_2 C3_2 F5_2 107.7(2) . . ?
F4_2 C3_2 C1_2 110.1(2) . . ?
F6_2 C3_2 C1_2 112.6(2) . . ?
F5_2 C3_2 C1_2 110.8(2) . . ?
F9_2 C4_2 F8_2 107.6(2) . . ?
F9_2 C4_2 F7_2 107.2(2) . . ?
F8_2 C4_2 F7_2 107.6(2) . . ?
F9_2 C4_2 C1_2 110.9(2) . . ?
F8_2 C4_2 C1_2 112.7(2) . . ?
F7_2 C4_2 C1_2 110.6(2) . . ?
C1_3 O1_3 Al03 143.91(17) . . ?
O1_3 C1_3 C4_3 111.7(2) . . ?
O1_3 C1_3 C3_3 110.7(2) . . ?
C4_3 C1_3 C3_3 108.8(2) . . ?
O1_3 C1_3 C2_3 107.2(2) . . ?
C4_3 C1_3 C2_3 109.5(2) . . ?
C3_3 C1_3 C2_3 108.9(2) . . ?
F1_3 C2_3 F3_3 107.5(2) . . ?
F1_3 C2_3 F2_3 108.0(2) . . ?
F3_3 C2_3 F2_3 108.1(2) . . ?
F1_3 C2_3 C1_3 110.4(2) . . ?
F3_3 C2_3 C1_3 110.8(2) . . ?
F2_3 C2_3 C1_3 112.0(2) . . ?
F5_3 C3_3 F6_3 107.7(2) . . ?
F5_3 C3_3 F4_3 107.2(2) . . ?
F6_3 C3_3 F4_3 107.1(2) . . ?
F5_3 C3_3 C1_3 110.7(2) . . ?
F6_3 C3_3 C1_3 112.7(2) . . ?
F4_3 C3_3 C1_3 111.2(2) . . ?
F7_3 C4_3 F9_3 107.6(2) . . ?
F7_3 C4_3 F8_3 107.9(2) . . ?
F9_3 C4_3 F8_3 107.2(2) . . ?
F7_3 C4_3 C1_3 110.3(2) . . ?
F9_3 C4_3 C1_3 111.2(2) . . ?
F8_3 C4_3 C1_3 112.5(2) . . ?
C1_4 O1_4 Al03 147.80(17) . . ?
O1_4 C1_4 C3_4 108.0(2) . . ?
O1_4 C1_4 C2_4 110.2(2) . . ?
C3_4 C1_4 C2_4 109.5(2) . . ?
O1_4 C1_4 C4_4 111.4(2) . . ?
C3_4 C1_4 C4_4 108.9(2) . . ?
C2_4 C1_4 C4_4 108.7(2) . . ?
F1_4 C2_4 F3_4 109.2(2) . . ?
F1_4 C2_4 F2_4 107.7(2) . . ?
F3_4 C2_4 F2_4 106.4(2) . . ?
F1_4 C2_4 C1_4 110.9(2) . . ?
F3_4 C2_4 C1_4 110.3(2) . . ?
F2_4 C2_4 C1_4 112.1(2) . . ?
F4_4 C3_4 F5_4 108.4(2) . . ?
F4_4 C3_4 F6_4 106.5(2) . . ?
F5_4 C3_4 F6_4 108.0(2) . . ?
F4_4 C3_4 C1_4 110.8(2) . . ?
F5_4 C3_4 C1_4 110.8(2) . . ?
F6_4 C3_4 C1_4 112.2(2) . . ?
F9_4 C4_4 F8_4 107.5(2) . . ?
F9_4 C4_4 F7_4 107.8(2) . . ?
F8_4 C4_4 F7_4 108.0(2) . . ?
F9_4 C4_4 C1_4 110.7(2) . . ?
F8_4 C4_4 C1_4 112.5(2) . . ?
F7_4 C4_4 C1_4 110.2(2) . . ?
C6_5 C1_5 C2_5 120.0(3) . . ?
C6_5 C1_5 Ag2 90.2(2) . . ?
C2_5 C1_5 Ag2 88.7(2) . . ?
C6_5 C1_5 H1_5 120.0 . . ?
C2_5 C1_5 H1_5 120.0 . . ?
Ag2 C1_5 H1_5 91.1 . . ?
C3_5 C2_5 C1_5 118.8(3) . . ?
C3_5 C2_5 Ag2 105.1(2) . . ?
C1_5 C2_5 Ag2 59.66(18) . . ?
C3_5 C2_5 H2_5 120.6 . . ?
C1_5 C2_5 H2_5 120.6 . . ?
Ag2 C2_5 H2_5 104.0 . . ?
F1_5 C3_5 C2_5 120.7(3) . . ?
F1_5 C3_5 C4_5 118.1(3) . . ?
C2_5 C3_5 C4_5 121.2(3) . . ?
F2_5 C4_5 C5_5 120.6(3) . . ?
F2_5 C4_5 C3_5 118.8(3) . . ?
C5_5 C4_5 C3_5 120.6(3) . . ?
C4_5 C5_5 C6_5 119.2(3) . . ?
C4_5 C5_5 H5_5 120.4 . . ?
C6_5 C5_5 H5_5 120.4 . . ?
C5_5 C6_5 C1_5 120.1(3) . . ?
C5_5 C6_5 Ag2 105.2(2) . . ?
C1_5 C6_5 Ag2 58.56(18) . . ?
C5_5 C6_5 H6_5 119.9 . . ?
C1_5 C6_5 H6_5 119.9 . . ?
Ag2 C6_5 H6_5 105.0 . . ?
C2_6 C1_6 C6_6 119.8(3) . . ?
C2_6 C1_6 Ag1 79.45(19) . 3_667 ?
C6_6 C1_6 Ag1 96.5(2) . 3_667 ?
C2_6 C1_6 Ag1 96.9(2) . . ?
C6_6 C1_6 Ag1 79.50(19) . . ?
Ag1 C1_6 Ag1 19.94(4) 3_667 . ?
C2_6 C1_6 H1_6 120.1 . . ?
C6_6 C1_6 H1_6 120.1 . . ?
Ag1 C1_6 H1_6 94.0 3_667 . ?
Ag1 C1_6 H1_6 93.6 . . ?
C3_6 C2_6 C1_6 120.3(3) . . ?
C3_6 C2_6 Ag1 103.9(2) . 3_667 ?
C1_6 C2_6 Ag1 67.14(18) . 3_667 ?
C3_6 C2_6 H2_6 119.8 . . ?
C1_6 C2_6 H2_6 119.8 . . ?
Ag1 C2_6 H2_6 98.6 3_667 . ?
C4_6 C3_6 C2_6 118.6(3) . . ?
C4_6 C3_6 H3_6 120.7 . . ?
C2_6 C3_6 H3_6 120.7 . . ?
F1_6 C4_6 C5_6 118.2(3) . . ?
F1_6 C4_6 C3_6 120.2(3) . . ?
C5_6 C4_6 C3_6 121.6(3) . . ?
F2_6 C5_6 C4_6 119.2(3) . . ?
F2_6 C5_6 C6_6 120.2(3) . . ?
C4_6 C5_6 C6_6 120.6(3) . . ?
C5_6 C6_6 C1_6 119.1(3) . . ?
C5_6 C6_6 Ag1 103.47(19) . . ?
C1_6 C6_6 Ag1 66.90(18) . . ?
C5_6 C6_6 H6_6 120.5 . . ?
C1_6 C6_6 H6_6 120.5 . . ?
Ag1 C6_6 H6_6 99.0 . . ?

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
O1_2 Al03 O1_1 C1_1 38.0(3) . . . . ?
O1_4 Al03 O1_1 C1_1 159.9(3) . . . . ?
O1_3 Al03 O1_1 C1_1 -80.6(3) . . . . ?
Al03 O1_1 C1_1 C2_1 168.1(3) . . . . ?
Al03 O1_1 C1_1 C4_1 48.1(4) . . . . ?
Al03 O1_1 C1_1 C3_1 -73.2(4) . . . . ?
O1_1 C1_1 C2_1 F3_1 67.7(3) . . . . ?
C4_1 C1_1 C2_1 F3_1 -171.0(2) . . . . ?
C3_1 C1_1 C2_1 F3_1 -51.6(3) . . . . ?
O1_1 C1_1 C2_1 F1_1 -52.2(3) . . . . ?
C4_1 C1_1 C2_1 F1_1 69.2(3) . . . . ?
C3_1 C1_1 C2_1 F1_1 -171.4(2) . . . . ?
O1_1 C1_1 C2_1 F2_1 -171.9(2) . . . . ?
C4_1 C1_1 C2_1 F2_1 -50.5(3) . . . . ?
C3_1 C1_1 C2_1 F2_1 68.9(3) . . . . ?
O1_1 C1_1 C3_1 F5_1 -72.9(15) . . . . ?
C2_1 C1_1 C3_1 F5_1 44.4(15) . . . . ?
C4_1 C1_1 C3_1 F5_1 164.1(15) . . . . ?
O1_1 C1_1 C3_1 F5 -42.1(3) . . . . ?
C2_1 C1_1 C3_1 F5 75.2(3) . . . . ?
C4_1 C1_1 C3_1 F5 -165.1(2) . . . . ?
O1_1 C1_1 C3_1 F6 -162.6(3) . . . . ?
C2_1 C1_1 C3_1 F6 -45.4(3) . . . . ?
C4_1 C1_1 C3_1 F6 74.4(3) . . . . ?
O1_1 C1_1 C3_1 F4 76.5(3) . . . . ?
C2_1 C1_1 C3_1 F4 -166.2(2) . . . . ?
C4_1 C1_1 C3_1 F4 -46.5(3) . . . . ?
O1_1 C1_1 C3_1 F4_1 53.7(13) . . . . ?
C2_1 C1_1 C3_1 F4_1 170.9(13) . . . . ?
C4_1 C1_1 C3_1 F4_1 -69.3(13) . . . . ?
O1_1 C1_1 C3_1 F6_1 167.0(14) . . . . ?
C2_1 C1_1 C3_1 F6_1 -75.7(14) . . . . ?
C4_1 C1_1 C3_1 F6_1 44.0(14) . . . . ?
O1_1 C1_1 C4_1 F7 -67.8(15) . . . . ?
C2_1 C1_1 C4_1 F7 173.8(15) . . . . ?
C3_1 C1_1 C4_1 F7 54.3(15) . . . . ?
O1_1 C1_1 C4_1 F9_1 76.1(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 -42.3(3) . . . . ?
C3_1 C1_1 C4_1 F9_1 -161.9(3) . . . . ?
O1_1 C1_1 C4_1 F8 163.2(15) . . . . ?
C2_1 C1_1 C4_1 F8 44.8(15) . . . . ?
C3_1 C1_1 C4_1 F8 -74.8(15) . . . . ?
O1_1 C1_1 C4_1 F7_1 -44.4(3) . . . . ?
C2_1 C1_1 C4_1 F7_1 -162.8(2) . . . . ?
C3_1 C1_1 C4_1 F7_1 77.6(3) . . . . ?
O1_1 C1_1 C4_1 F8_1 -163.0(2) . . . . ?
C2_1 C1_1 C4_1 F8_1 78.6(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 -41.0(3) . . . . ?
O1_1 C1_1 C4_1 F9 50.3(13) . . . . ?
C2_1 C1_1 C4_1 F9 -68.1(13) . . . . ?
C3_1 C1_1 C4_1 F9 172.3(13) . . . . ?
O1_4 Al03 O1_2 C1_2 75.0(4) . . . . ?
O1_3 Al03 O1_2 C1_2 -44.3(4) . . . . ?
O1_1 Al03 O1_2 C1_2 -165.4(3) . . . . ?
Al03 O1_2 C1_2 C4_2 75.5(4) . . . . ?
Al03 O1_2 C1_2 C3_2 -46.3(4) . . . . ?
Al03 O1_2 C1_2 C2_2 -165.3(3) . . . . ?
O1_2 C1_2 C2_2 F3_2 42.5(3) . . . . ?
C4_2 C1_2 C2_2 F3_2 162.5(2) . . . . ?
C3_2 C1_2 C2_2 F3_2 -78.1(3) . . . . ?
O1_2 C1_2 C2_2 F2_2 164.2(2) . . . . ?
C4_2 C1_2 C2_2 F2_2 -75.8(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 43.6(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 -75.7(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 44.3(3) . . . . ?
C3_2 C1_2 C2_2 F1_2 163.7(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 43.4(3) . . . . ?
C4_2 C1_2 C3_2 F4_2 -79.2(3) . . . . ?
C2_2 C1_2 C3_2 F4_2 161.4(2) . . . . ?
O1_2 C1_2 C3_2 F6_2 163.8(2) . . . . ?
C4_2 C1_2 C3_2 F6_2 41.2(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -78.2(3) . . . . ?
O1_2 C1_2 C3_2 F5_2 -75.5(3) . . . . ?
C4_2 C1_2 C3_2 F5_2 161.9(2) . . . . ?
C2_2 C1_2 C3_2 F5_2 42.5(3) . . . . ?
O1_2 C1_2 C4_2 F9_2 41.3(3) . . . . ?
C3_2 C1_2 C4_2 F9_2 164.2(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -76.6(3) . . . . ?
O1_2 C1_2 C4_2 F8_2 162.0(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -75.1(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 44.1(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 -77.5(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 45.5(3) . . . . ?
C2_2 C1_2 C4_2 F7_2 164.6(2) . . . . ?
O1_2 Al03 O1_3 C1_3 161.9(3) . . . . ?
O1_4 Al03 O1_3 C1_3 39.8(3) . . . . ?
O1_1 Al03 O1_3 C1_3 -80.1(3) . . . . ?
Al03 O1_3 C1_3 C4_3 55.1(4) . . . . ?
Al03 O1_3 C1_3 C3_3 -66.2(4) . . . . ?
Al03 O1_3 C1_3 C2_3 175.2(2) . . . . ?
O1_3 C1_3 C2_3 F1_3 -45.2(3) . . . . ?
C4_3 C1_3 C2_3 F1_3 76.2(3) . . . . ?
C3_3 C1_3 C2_3 F1_3 -165.0(2) . . . . ?
O1_3 C1_3 C2_3 F3_3 73.8(3) . . . . ?
C4_3 C1_3 C2_3 F3_3 -164.8(2) . . . . ?
C3_3 C1_3 C2_3 F3_3 -46.0(3) . . . . ?
O1_3 C1_3 C2_3 F2_3 -165.5(2) . . . . ?
C4_3 C1_3 C2_3 F2_3 -44.1(3) . . . . ?
C3_3 C1_3 C2_3 F2_3 74.7(3) . . . . ?
O1_3 C1_3 C3_3 F5_3 -39.1(3) . . . . ?
C4_3 C1_3 C3_3 F5_3 -162.2(2) . . . . ?
C2_3 C1_3 C3_3 F5_3 78.5(3) . . . . ?
O1_3 C1_3 C3_3 F6_3 -159.8(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 77.1(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -42.2(3) . . . . ?
O1_3 C1_3 C3_3 F4_3 79.9(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -43.2(3) . . . . ?
C2_3 C1_3 C3_3 F4_3 -162.4(2) . . . . ?
O1_3 C1_3 C4_3 F7_3 -42.8(3) . . . . ?
C3_3 C1_3 C4_3 F7_3 79.6(3) . . . . ?
C2_3 C1_3 C4_3 F7_3 -161.5(2) . . . . ?
O1_3 C1_3 C4_3 F9_3 76.5(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 -161.0(2) . . . . ?
C2_3 C1_3 C4_3 F9_3 -42.2(3) . . . . ?
O1_3 C1_3 C4_3 F8_3 -163.3(2) . . . . ?
C3_3 C1_3 C4_3 F8_3 -40.9(3) . . . . ?
C2_3 C1_3 C4_3 F8_3 78.0(3) . . . . ?
O1_2 Al03 O1_4 C1_4 80.0(3) . . . . ?
O1_3 Al03 O1_4 C1_4 -160.7(3) . . . . ?
O1_1 Al03 O1_4 C1_4 -38.7(4) . . . . ?
Al03 O1_4 C1_4 C3_4 -164.7(3) . . . . ?
Al03 O1_4 C1_4 C2_4 75.7(4) . . . . ?
Al03 O1_4 C1_4 C4_4 -45.1(4) . . . . ?
O1_4 C1_4 C2_4 F1_4 -76.8(3) . . . . ?
C3_4 C1_4 C2_4 F1_4 164.5(2) . . . . ?
C4_4 C1_4 C2_4 F1_4 45.6(3) . . . . ?
O1_4 C1_4 C2_4 F3_4 44.3(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -74.4(3) . . . . ?
C4_4 C1_4 C2_4 F3_4 166.7(2) . . . . ?
O1_4 C1_4 C2_4 F2_4 162.7(2) . . . . ?
C3_4 C1_4 C2_4 F2_4 44.0(3) . . . . ?
C4_4 C1_4 C2_4 F2_4 -74.8(3) . . . . ?
O1_4 C1_4 C3_4 F4_4 42.0(3) . . . . ?
C2_4 C1_4 C3_4 F4_4 162.1(2) . . . . ?
C4_4 C1_4 C3_4 F4_4 -79.1(3) . . . . ?
O1_4 C1_4 C3_4 F5_4 -78.2(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 41.8(3) . . . . ?
C4_4 C1_4 C3_4 F5_4 160.6(2) . . . . ?
O1_4 C1_4 C3_4 F6_4 161.0(2) . . . . ?
C2_4 C1_4 C3_4 F6_4 -79.0(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 39.8(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 40.0(3) . . . . ?
C3_4 C1_4 C4_4 F9_4 159.0(2) . . . . ?
C2_4 C1_4 C4_4 F9_4 -81.7(3) . . . . ?
O1_4 C1_4 C4_4 F8_4 160.2(2) . . . . ?
C3_4 C1_4 C4_4 F8_4 -80.7(3) . . . . ?
C2_4 C1_4 C4_4 F8_4 38.5(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -79.2(3) . . . . ?
C3_4 C1_4 C4_4 F7_4 39.9(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 159.1(2) . . . . ?
C6_5 C1_5 C2_5 C3_5 -1.7(5) . . . . ?
Ag2 C1_5 C2_5 C3_5 -91.2(3) . . . . ?
C6_5 C1_5 C2_5 Ag2 89.5(3) . . . . ?
C1_5 C2_5 C3_5 F1_5 -178.6(3) . . . . ?
Ag2 C2_5 C3_5 F1_5 118.0(3) . . . . ?
C1_5 C2_5 C3_5 C4_5 0.5(5) . . . . ?
Ag2 C2_5 C3_5 C4_5 -62.9(3) . . . . ?
F1_5 C3_5 C4_5 F2_5 0.9(4) . . . . ?
C2_5 C3_5 C4_5 F2_5 -178.2(3) . . . . ?
F1_5 C3_5 C4_5 C5_5 -179.8(3) . . . . ?
C2_5 C3_5 C4_5 C5_5 1.0(5) . . . . ?
F2_5 C4_5 C5_5 C6_5 177.9(3) . . . . ?
C3_5 C4_5 C5_5 C6_5 -1.3(5) . . . . ?
C4_5 C5_5 C6_5 C1_5 0.0(5) . . . . ?
C4_5 C5_5 C6_5 Ag2 62.2(3) . . . . ?
C2_5 C1_5 C6_5 C5_5 1.5(5) . . . . ?
Ag2 C1_5 C6_5 C5_5 90.1(3) . . . . ?
C2_5 C1_5 C6_5 Ag2 -88.6(3) . . . . ?
C6_6 C1_6 C2_6 C3_6 -1.6(5) . . . . ?
Ag1 C1_6 C2_6 C3_6 -93.1(3) 3_667 . . . ?
Ag1 C1_6 C2_6 C3_6 -83.4(3) . . . . ?
C6_6 C1_6 C2_6 Ag1 91.5(3) . . . 3_667 ?
Ag1 C1_6 C2_6 Ag1 9.72(7) . . . 3_667 ?
C1_6 C2_6 C3_6 C4_6 0.4(5) . . . . ?
Ag1 C2_6 C3_6 C4_6 -71.0(3) 3_667 . . . ?
C2_6 C3_6 C4_6 F1_6 -178.6(3) . . . . ?
C2_6 C3_6 C4_6 C5_6 1.4(5) . . . . ?
F1_6 C4_6 C5_6 F2_6 -0.3(4) . . . . ?
C3_6 C4_6 C5_6 F2_6 179.7(3) . . . . ?
F1_6 C4_6 C5_6 C6_6 178.1(3) . . . . ?
C3_6 C4_6 C5_6 C6_6 -2.0(5) . . . . ?
F2_6 C5_6 C6_6 C1_6 179.0(3) . . . . ?
C4_6 C5_6 C6_6 C1_6 0.7(4) . . . . ?
F2_6 C5_6 C6_6 Ag1 -110.1(2) . . . . ?
C4_6 C5_6 C6_6 Ag1 71.5(3) . . . . ?
C2_6 C1_6 C6_6 C5_6 1.1(5) . . . . ?
Ag1 C1_6 C6_6 C5_6 82.6(3) 3_667 . . . ?
Ag1 C1_6 C6_6 C5_6 93.0(3) . . . . ?
C2_6 C1_6 C6_6 Ag1 -92.0(3) . . . . ?
Ag1 C1_6 C6_6 Ag1 -10.41(7) 3_667 . . . ?

_refine_diff_density_max         0.687
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.087


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21n_a
_database_code_depnum_ccdc_archive 'CCDC 1845811'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 F28 Al O3, Ag, 3(C6 F2 H4)'
_chemical_formula_sum            'C30 H12 Ag Al F34 O3'
_chemical_formula_weight         1201.25

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'
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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.2659(2)
_cell_length_b                   17.4605(4)
_cell_length_c                   20.9905(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.0980(10)
_cell_angle_gamma                90
_cell_volume                     3715.16(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9628
_cell_measurement_theta_min      2.286
_cell_measurement_theta_max      33.071

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.148
_exptl_crystal_F_000             2328
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.774
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6267
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsoucre'
_diffrn_measurement_device_type  'Bruker Smart ApexII Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            138683
_diffrn_reflns_av_unetI/netI     0.0122
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.525
_diffrn_reflns_theta_max         33.453
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12900
_reflns_number_gt                11443
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.37A'
_computing_data_reduction        'SAINT V8.37A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ShelXle-851
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0327P)²+2.4041P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12900
_refine_ls_number_parameters     813
_refine_ls_number_restraints     2245
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0276
_refine_ls_wR_factor_ref         0.0704
_refine_ls_wR_factor_gt          0.0674
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
C1_9 C 0.2899(14) 0.5549(10) 0.1749(7) 0.0229(13) Uani 0.097(2) 1 d D U P A 3
C2_9 C 0.1596(14) 0.5786(10) 0.1653(7) 0.027(4) Uani 0.097(2) 1 d D U P A 3
C3_9 C 0.1063(14) 0.6220(11) 0.2088(8) 0.0269(18) Uani 0.097(2) 1 d D U P A 3
H3_9 H 0.0171 0.6385 0.2000 0.032 Uiso 0.097(2) 1 calc R U P A 3
C4_9 C 0.1859(19) 0.6411(13) 0.2661(9) 0.032(4) Uani 0.097(2) 1 d D U P A 3
H4_9 H 0.1510 0.6679 0.2990 0.039 Uiso 0.097(2) 1 calc R U P A 3
C5_9 C 0.317(2) 0.6201(19) 0.2744(11) 0.0241(10) Uani 0.097(2) 1 d D U P A 3
H5_9 H 0.3737 0.6378 0.3119 0.029 Uiso 0.097(2) 1 calc R U P A 3
C6_9 C 0.3721(14) 0.5746(10) 0.2310(7) 0.0277(14) Uani 0.097(2) 1 d D U P A 3
H6_9 H 0.4613 0.5580 0.2396 0.033 Uiso 0.097(2) 1 calc R U P A 3
F1_9 F 0.3340(18) 0.5092(8) 0.1318(7) 0.065(4) Uani 0.097(2) 1 d D U P A 3
F2_9 F 0.0916(15) 0.5544(11) 0.1098(6) 0.058(4) Uani 0.097(2) 1 d D U P A 3
C1_5 C 0.29517(19) 0.95395(13) 0.18327(11) 0.0256(4) Uani 0.827(4) 1 d D U P A
1
C2_5 C 0.1630(2) 0.93876(16) 0.16325(13) 0.0229(5) Uani 0.827(4) 1 d D U P A 1
C3_5 C 0.0945(2) 0.89065(16) 0.19796(14) 0.0319(6) Uani 0.827(4) 1 d D U P A 1
H3_5 H 0.0040 0.8796 0.1836 0.038 Uiso 0.827(4) 1 calc R U P A 1
C4_5 C 0.1610(3) 0.85846(13) 0.25461(13) 0.0378(5) Uani 0.827(4) 1 d D U P A 1
H4_5 H 0.1155 0.8250 0.2792 0.045 Uiso 0.827(4) 1 calc R U P A 1
C5_5 C 0.2936(3) 0.87487(17) 0.27545(11) 0.0360(6) Uani 0.827(4) 1 d D U P A 1
H5_5 H 0.3377 0.8537 0.3147 0.043 Uiso 0.827(4) 1 calc R U P A 1
C6_5 C 0.3611(2) 0.92215(16) 0.23894(11) 0.0354(5) Uani 0.827(4) 1 d D U P A 1
H6_5 H 0.4521 0.9325 0.2523 0.043 Uiso 0.827(4) 1 calc R U P A 1
F1_5 F 0.35834(16) 1.00087(9) 0.14767(9) 0.0473(4) Uani 0.827(4) 1 d D U P A 1
F2_5 F 0.10373(17) 0.97307(10) 0.10970(8) 0.0385(4) Uani 0.827(4) 1 d D U P A 1
C1_7 C 0.3118(9) 0.9396(5) 0.2086(6) 0.0267(19) Uani 0.173(4) 1 d D U P A 2
C2_7 C 0.1956(11) 0.9406(7) 0.1666(6) 0.026(2) Uani 0.173(4) 1 d D U P A 2
C3_7 C 0.0940(13) 0.8925(8) 0.1766(5) 0.032(3) Uani 0.173(4) 1 d D U P A 2
H3_7 H 0.0129 0.8929 0.1476 0.038 Uiso 0.173(4) 1 calc R U P A 2
C4_7 C 0.1112(9) 0.8441(6) 0.2290(5) 0.0329(19) Uani 0.173(4) 1 d D U P A 2
H4_7 H 0.0432 0.8096 0.2359 0.039 Uiso 0.173(4) 1 calc R U P A 2
C5_7 C 0.2285(11) 0.8463(6) 0.2715(4) 0.0284(18) Uani 0.173(4) 1 d D U P A 2
H5_7 H 0.2388 0.8146 0.3088 0.034 Uiso 0.173(4) 1 calc R U P A 2
C6_7 C 0.3301(10) 0.8930(6) 0.2611(5) 0.027(2) Uani 0.173(4) 1 d D U P A 2
H6_7 H 0.4114 0.8928 0.2899 0.033 Uiso 0.173(4) 1 calc R U P A 2
F1_7 F 0.4006(9) 0.9887(4) 0.1940(7) 0.071(4) Uani 0.173(4) 1 d D U P A 2
F2_7 F 0.1713(15) 0.9866(6) 0.1162(5) 0.068(3) Uani 0.173(4) 1 d D U P A 2
C1_8 C 0.3086(9) 0.5678(6) 0.1914(4) 0.0229(13) Uani 0.376(3) 1 d D U P A 2
C2_8 C 0.1815(9) 0.5702(7) 0.1594(5) 0.0182(14) Uani 0.376(3) 1 d D U P A 2
C3_8 C 0.0863(11) 0.6114(9) 0.1847(6) 0.0269(18) Uani 0.376(3) 1 d D U P A 2
H3_8 H -0.0023 0.6130 0.1632 0.032 Uiso 0.376(3) 1 calc R U P A 2
C4_8 C 0.1241(11) 0.6506(9) 0.2432(6) 0.037(2) Uani 0.376(3) 1 d D U P A 2
H4_8 H 0.0608 0.6799 0.2612 0.044 Uiso 0.376(3) 1 calc R U P A 2
C5_8 C 0.2529(9) 0.6468(7) 0.2747(5) 0.0331(19) Uani 0.376(3) 1 d D U P A 2
H5_8 H 0.2771 0.6723 0.3148 0.040 Uiso 0.376(3) 1 calc R U P A 2
C6_8 C 0.3455(8) 0.6064(6) 0.2484(4) 0.0277(14) Uani 0.376(3) 1 d D U P A 2
H6_8 H 0.4345 0.6052 0.2694 0.033 Uiso 0.376(3) 1 calc R U P A 2
F1_8 F 0.4017(10) 0.5279(7) 0.1680(4) 0.0535(14) Uani 0.376(3) 1 d D U P A 2
F2_8 F 0.1588(11) 0.5308(7) 0.1043(5) 0.0346(12) Uani 0.376(3) 1 d D U P A 2
C1_6 C 0.3172(6) 0.5709(4) 0.2070(3) 0.0241(10) Uani 0.528(3) 1 d D U P A 1
C2_6 C 0.2000(8) 0.5683(5) 0.1654(4) 0.0282(15) Uani 0.528(3) 1 d D U P A 1
C3_6 C 0.0914(9) 0.6088(6) 0.1773(4) 0.0315(15) Uani 0.528(3) 1 d D U P A 1
H3_6 H 0.0103 0.6061 0.1484 0.038 Uiso 0.528(3) 1 calc R U P A 1
C4_6 C 0.1031(8) 0.6536(7) 0.2323(4) 0.0328(12) Uani 0.528(3) 1 d D U P A 1
H4_6 H 0.0296 0.6824 0.2413 0.039 Uiso 0.528(3) 1 calc R U P A 1
C5_6 C 0.2232(6) 0.6566(5) 0.2750(4) 0.0251(10) Uani 0.528(3) 1 d D U P A 1
H5_6 H 0.2306 0.6877 0.3126 0.030 Uiso 0.528(3) 1 calc R U P A 1
C6_6 C 0.3315(6) 0.6144(3) 0.2626(3) 0.0241(10) Uani 0.528(3) 1 d D U P A 1
H6_6 H 0.4126 0.6154 0.2915 0.029 Uiso 0.528(3) 1 calc R U P A 1
F1_6 F 0.4161(7) 0.5305(5) 0.1907(3) 0.0535(14) Uani 0.528(3) 1 d D U P A 1
F2_6 F 0.1860(9) 0.5267(6) 0.1118(4) 0.057(2) Uani 0.528(3) 1 d D U P A 1
C1_4 C 0.67470(13) 0.72942(9) 0.15505(6) 0.0247(2) Uani 1 1 d D U . . .
C2_4 C 0.65877(12) 0.80753(8) 0.14618(6) 0.0221(2) Uani 1 1 d D U . . .
C3_4 C 0.53667(13) 0.83901(8) 0.12571(6) 0.0227(2) Uani 1 1 d D U . . .
H3_4 H 0.5264 0.8928 0.1204 0.027 Uiso 1 1 calc R U . . .
C4_4 C 0.42768(12) 0.78990(8) 0.11291(6) 0.0214(2) Uani 1 1 d D U . . .
H4_4 H 0.3423 0.8105 0.0989 0.026 Uiso 1 1 calc R U . . .
C5_4 C 0.44393(13) 0.71086(8) 0.12065(6) 0.0225(2) Uani 1 1 d D U . . .
H5_4 H 0.3698 0.6778 0.1112 0.027 Uiso 1 1 calc R U . . .
C6_4 C 0.56911(14) 0.68010(8) 0.14234(7) 0.0263(3) Uani 1 1 d D U . . .
H6_4 H 0.5809 0.6264 0.1481 0.032 Uiso 1 1 calc R U . . .
F1_4 F 0.79662(9) 0.70239(6) 0.17548(5) 0.0381(2) Uani 1 1 d D U . . .
F2_4 F 0.76549(8) 0.85295(6) 0.15743(4) 0.03139(19) Uani 1 1 d D U . . .
O1_3 O 0.73678(8) 0.81720(5) 0.40328(4) 0.01925(16) Uani 1 1 d . . . . .
C1_3 C 0.78353(11) 0.88596(7) 0.38836(6) 0.0181(2) Uani 1 1 d . . . . .
C2_3 C 0.69174(15) 0.95122(8) 0.40495(7) 0.0274(3) Uani 1 1 d . . . . .
F1_3 F 0.56604(9) 0.93314(5) 0.38433(5) 0.0348(2) Uani 1 1 d . . . . .
F2_3 F 0.71530(11) 1.01812(5) 0.37764(6) 0.0414(2) Uani 1 1 d . . . . .
F3_3 F 0.70550(12) 0.96201(6) 0.46832(5) 0.0418(2) Uani 1 1 d . . . . .
C3_3 C 0.92342(13) 0.89640(8) 0.42808(7) 0.0273(3) Uani 1 1 d . . . . .
F4_3 F 1.01120(8) 0.85373(7) 0.40346(5) 0.0402(2) Uani 1 1 d . . . . .
F5_3 F 0.92513(10) 0.87453(6) 0.48870(4) 0.0376(2) Uani 1 1 d . . . . .
F6_3 F 0.96416(10) 0.96906(6) 0.42875(5) 0.0418(2) Uani 1 1 d . . . . .
C4_3 C 0.79404(13) 0.88983(8) 0.31512(6) 0.0243(2) Uani 1 1 d . . . . .
F7_3 F 0.83987(10) 0.82411(6) 0.29556(4) 0.0354(2) Uani 1 1 d . . . . .
F8_3 F 0.87192(10) 0.94607(6) 0.30087(5) 0.0388(2) Uani 1 1 d . . . . .
F9_3 F 0.67519(8) 0.90086(5) 0.27985(4) 0.03006(18) Uani 1 1 d . . . . .
O1_2 O 0.67556(8) 0.66023(5) 0.40672(4) 0.01818(16) Uani 1 1 d . . . . .
C1_2 C 0.77055(11) 0.60714(6) 0.40347(6) 0.01665(19) Uani 1 1 d . . . . .
C2_2 C 0.91060(12) 0.64391(7) 0.41517(6) 0.0216(2) Uani 1 1 d . . . . .
F1_2 F 0.93191(8) 0.68263(5) 0.36289(4) 0.02907(17) Uani 1 1 d . . . . .
F2_2 F 1.00603(8) 0.59183(5) 0.42853(5) 0.0335(2) Uani 1 1 d . . . . .
F3_2 F 0.92196(8) 0.69313(5) 0.46386(4) 0.02632(16) Uani 1 1 d . . . . .
C3_2 C 0.76129(13) 0.54590(7) 0.45680(6) 0.0219(2) Uani 1 1 d . . . . .
F4_2 F 0.63746(9) 0.52659(5) 0.45836(4) 0.02967(17) Uani 1 1 d . . . . .
F5_2 F 0.81106(9) 0.57385(5) 0.51499(4) 0.02908(17) Uani 1 1 d . . . . .
F6_2 F 0.82845(10) 0.48222(5) 0.44790(4) 0.03200(19) Uani 1 1 d . . . . .
C4_2 C 0.74668(13) 0.56759(7) 0.33617(6) 0.0221(2) Uani 1 1 d . . . . .
F7_2 F 0.64176(9) 0.52165(5) 0.33084(4) 0.03035(18) Uani 1 1 d . . . . .
F8_2 F 0.84936(9) 0.52582(5) 0.32468(4) 0.03144(19) Uani 1 1 d . . . . .
F9_2 F 0.72215(9) 0.61963(5) 0.28947(4) 0.02951(17) Uani 1 1 d . . . . .
O1_1 O 0.47545(9) 0.76503(5) 0.41889(4) 0.02027(17) Uani 1 1 d . . . . .
C1_1 C 0.42292(11) 0.75962(7) 0.47407(6) 0.0171(2) Uani 1 1 d . . . . .
C2_1 C 0.52713(15) 0.73650(9) 0.53304(7) 0.0290(3) Uani 1 1 d . . . . .
F1_1 F 0.55390(12) 0.66172(6) 0.53161(5) 0.0436(3) Uani 1 1 d . . . . .
F2_1 F 0.48722(10) 0.75164(6) 0.58921(4) 0.0357(2) Uani 1 1 d . . . . .
F3_1 F 0.63944(9) 0.77383(7) 0.53158(5) 0.0424(2) Uani 1 1 d . . . . .
C3_1 C 0.36359(13) 0.83924(8) 0.48803(7) 0.0237(2) Uani 1 1 d . . . . .
F4_1 F 0.30093(9) 0.86969(5) 0.43416(4) 0.02959(18) Uani 1 1 d . . . . .
F5_1 F 0.45995(10) 0.88700(5) 0.51278(5) 0.0390(2) Uani 1 1 d . . . . .
F6_1 F 0.27815(10) 0.83421(6) 0.52968(5) 0.0351(2) Uani 1 1 d . . . . .
C4_1 C 0.31133(15) 0.69884(8) 0.46446(7) 0.0275(3) Uani 1 1 d . . . . .
F7_1 F 0.20650(9) 0.72658(6) 0.42467(5) 0.0369(2) Uani 1 1 d . . . . .
F8_1 F 0.27237(12) 0.67842(6) 0.51974(5) 0.0429(2) Uani 1 1 d . . . . .
F9_1 F 0.35131(11) 0.63580(5) 0.43743(5) 0.0384(2) Uani 1 1 d . . . . .
Ag1 Ag 0.36170(2) 0.75639(2) 0.22067(2) 0.02203(3) Uani 1 1 d . . . . .
Al1 Al 0.61459(3) 0.74969(2) 0.38351(2) 0.01343(6) Uani 1 1 d . . . . .
F1 F 0.55347(7) 0.75326(4) 0.30409(4) 0.01997(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1_9 F1_9 1.338(12) . ?
C1_9 C6_9 1.379(12) . ?
C1_9 C2_9 1.384(12) . ?
C2_9 F2_9 1.329(12) . ?
C2_9 C3_9 1.367(12) . ?
C3_9 C4_9 1.383(12) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.384(13) . ?
C4_9 Ag1 2.96(2) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.393(13) . ?
C5_9 Ag1 2.70(4) . ?
C5_9 H5_9 0.9500 . ?
C6_9 H6_9 0.9500 . ?
C1_5 F1_5 1.343(3) . ?
C1_5 C6_5 1.372(3) . ?
C1_5 C2_5 1.382(3) . ?
C2_5 F2_5 1.333(3) . ?
C2_5 C3_5 1.376(3) . ?
C3_5 C4_5 1.393(4) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.392(4) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.385(4) . ?
C5_5 Ag1 2.519(2) . ?
C5_5 H5_5 0.9500 . ?
C6_5 Ag1 2.920(3) . ?
C6_5 H6_5 0.9500 . ?
C1_7 F1_7 1.321(9) . ?
C1_7 C6_7 1.360(11) . ?
C1_7 C2_7 1.367(10) . ?
C2_7 F2_7 1.320(10) . ?
C2_7 C3_7 1.381(11) . ?
C3_7 C4_7 1.377(11) . ?
C3_7 H3_7 0.9500 . ?
C4_7 C5_7 1.381(10) . ?
C4_7 Ag1 3.022(9) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.368(10) . ?
C5_7 Ag1 2.436(9) . ?
C5_7 H5_7 0.9500 . ?
C6_7 Ag1 2.569(11) . ?
C6_7 H6_7 0.9500 . ?
C1_8 F1_8 1.337(9) . ?
C1_8 C2_8 1.371(9) . ?
C1_8 C6_8 1.373(8) . ?
C2_8 F2_8 1.334(9) . ?
C2_8 C3_8 1.385(9) . ?
C3_8 C4_8 1.405(10) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.384(9) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.368(8) . ?
C5_8 Ag1 2.569(14) . ?
C5_8 H5_8 0.9500 . ?
C6_8 Ag1 2.693(11) . ?
C6_8 H6_8 0.9500 . ?
C1_6 F1_6 1.325(6) . ?
C1_6 C2_6 1.371(7) . ?
C1_6 C6_6 1.380(6) . ?
C2_6 F2_6 1.327(7) . ?
C2_6 C3_6 1.376(8) . ?
C3_6 C4_6 1.385(8) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.406(7) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.392(6) . ?
C5_6 Ag1 2.621(10) . ?
C5_6 H5_6 0.9500 . ?
C6_6 Ag1 2.666(6) . ?
C6_6 H6_6 0.9500 . ?
C1_4 F1_4 1.3430(15) . ?
C1_4 C6_4 1.377(2) . ?
C1_4 C2_4 1.383(2) . ?
C2_4 F2_4 1.3428(14) . ?
C2_4 C3_4 1.3740(18) . ?
C3_4 C4_4 1.4016(17) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.3965(19) . ?
C4_4 Ag1 2.5302(12) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.4008(19) . ?
C5_4 Ag1 2.5124(13) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
O1_3 C1_3 1.3482(14) . ?
O1_3 Al1 1.7234(9) . ?
C1_3 C2_3 1.5529(19) . ?
C1_3 C3_3 1.5531(17) . ?
C1_3 C4_3 1.5594(18) . ?
C2_3 F3_3 1.3286(18) . ?
C2_3 F1_3 1.3326(17) . ?
C2_3 F2_3 1.3398(16) . ?
C3_3 F5_3 1.3260(16) . ?
C3_3 F4_3 1.3349(19) . ?
C3_3 F6_3 1.3352(16) . ?
C4_3 F7_3 1.3296(17) . ?
C4_3 F8_3 1.3299(16) . ?
C4_3 F9_3 1.3373(15) . ?
O1_2 C1_2 1.3550(13) . ?
O1_2 Al1 1.7242(9) . ?
C1_2 C4_2 1.5565(17) . ?
C1_2 C2_2 1.5581(17) . ?
C1_2 C3_2 1.5616(18) . ?
C2_2 F3_2 1.3263(15) . ?
C2_2 F2_2 1.3335(14) . ?
C2_2 F1_2 1.3362(16) . ?
C3_2 F4_2 1.3205(16) . ?
C3_2 F6_2 1.3370(14) . ?
C3_2 F5_2 1.3394(15) . ?
C4_2 F9_2 1.3312(15) . ?
C4_2 F7_2 1.3334(16) . ?
C4_2 F8_2 1.3349(15) . ?
O1_1 C1_1 1.3561(14) . ?
O1_1 Al1 1.7318(9) . ?
C1_1 C4_1 1.5512(18) . ?
C1_1 C2_1 1.5558(18) . ?
C1_1 C3_1 1.5640(17) . ?
C2_1 F3_1 1.3290(19) . ?
C2_1 F2_1 1.3345(17) . ?
C2_1 F1_1 1.3357(18) . ?
C3_1 F4_1 1.3210(16) . ?
C3_1 F5_1 1.3346(16) . ?
C3_1 F6_1 1.3357(16) . ?
C4_1 F9_1 1.3326(17) . ?
C4_1 F8_1 1.3342(16) . ?
C4_1 F7_1 1.3438(18) . ?
Ag1 F1 2.4197(7) . ?
Al1 F1 1.6871(8) . ?

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
F1_9 C1_9 C6_9 119.9(13) . . ?
F1_9 C1_9 C2_9 120.1(12) . . ?
C6_9 C1_9 C2_9 119.8(11) . . ?
F2_9 C2_9 C3_9 123.5(14) . . ?
F2_9 C2_9 C1_9 113.3(12) . . ?
C3_9 C2_9 C1_9 123.2(12) . . ?
C2_9 C3_9 C4_9 118.1(12) . . ?
C2_9 C3_9 H3_9 120.9 . . ?
C4_9 C3_9 H3_9 120.9 . . ?
C3_9 C4_9 C5_9 118.5(14) . . ?
C3_9 C4_9 Ag1 101.0(13) . . ?
C5_9 C4_9 Ag1 65.6(18) . . ?
C3_9 C4_9 H4_9 120.8 . . ?
C5_9 C4_9 H4_9 120.8 . . ?
Ag1 C4_9 H4_9 102.5 . . ?
C4_9 C5_9 C6_9 123.7(15) . . ?
C4_9 C5_9 Ag1 86.6(18) . . ?
C6_9 C5_9 Ag1 96.7(18) . . ?
C4_9 C5_9 H5_9 118.2 . . ?
C6_9 C5_9 H5_9 118.2 . . ?
Ag1 C5_9 H5_9 86.5 . . ?
C1_9 C6_9 C5_9 116.5(13) . . ?
C1_9 C6_9 H6_9 121.8 . . ?
C5_9 C6_9 H6_9 121.8 . . ?
F1_5 C1_5 C6_5 120.3(2) . . ?
F1_5 C1_5 C2_5 119.0(2) . . ?
C6_5 C1_5 C2_5 120.7(2) . . ?
F2_5 C2_5 C3_5 121.2(2) . . ?
F2_5 C2_5 C1_5 117.8(2) . . ?
C3_5 C2_5 C1_5 121.0(2) . . ?
C2_5 C3_5 C4_5 118.4(2) . . ?
C2_5 C3_5 H3_5 120.8 . . ?
C4_5 C3_5 H3_5 120.8 . . ?
C5_5 C4_5 C3_5 120.6(2) . . ?
C5_5 C4_5 H4_5 119.7 . . ?
C3_5 C4_5 H4_5 119.7 . . ?
C6_5 C5_5 C4_5 119.9(2) . . ?
C6_5 C5_5 Ag1 92.15(15) . . ?
C4_5 C5_5 Ag1 90.90(16) . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
Ag1 C5_5 H5_5 87.0 . . ?
C1_5 C6_5 C5_5 119.4(2) . . ?
C1_5 C6_5 Ag1 107.48(13) . . ?
C5_5 C6_5 Ag1 59.56(13) . . ?
C1_5 C6_5 H6_5 120.3 . . ?
C5_5 C6_5 H6_5 120.3 . . ?
Ag1 C6_5 H6_5 101.8 . . ?
F1_7 C1_7 C6_7 124.3(10) . . ?
F1_7 C1_7 C2_7 114.0(10) . . ?
C6_7 C1_7 C2_7 121.6(8) . . ?
F2_7 C2_7 C1_7 124.0(10) . . ?
F2_7 C2_7 C3_7 116.1(10) . . ?
C1_7 C2_7 C3_7 119.9(9) . . ?
C4_7 C3_7 C2_7 119.4(10) . . ?
C4_7 C3_7 H3_7 120.3 . . ?
C2_7 C3_7 H3_7 120.3 . . ?
C3_7 C4_7 C5_7 119.2(9) . . ?
C3_7 C4_7 Ag1 105.5(7) . . ?
C5_7 C4_7 Ag1 52.3(4) . . ?
C3_7 C4_7 H4_7 120.4 . . ?
C5_7 C4_7 H4_7 120.4 . . ?
Ag1 C4_7 H4_7 109.9 . . ?
C6_7 C5_7 C4_7 121.5(9) . . ?
C6_7 C5_7 Ag1 79.6(7) . . ?
C4_7 C5_7 Ag1 101.1(6) . . ?
C6_7 C5_7 H5_7 119.3 . . ?
C4_7 C5_7 H5_7 119.3 . . ?
Ag1 C5_7 H5_7 89.4 . . ?
C1_7 C6_7 C5_7 118.4(8) . . ?
C1_7 C6_7 Ag1 107.2(7) . . ?
C5_7 C6_7 Ag1 68.8(6) . . ?
C1_7 C6_7 H6_7 120.8 . . ?
C5_7 C6_7 H6_7 120.8 . . ?
Ag1 C6_7 H6_7 93.6 . . ?
F1_8 C1_8 C2_8 121.0(8) . . ?
F1_8 C1_8 C6_8 117.5(7) . . ?
C2_8 C1_8 C6_8 121.5(8) . . ?
F2_8 C2_8 C1_8 115.6(9) . . ?
F2_8 C2_8 C3_8 124.2(9) . . ?
C1_8 C2_8 C3_8 120.2(9) . . ?
C2_8 C3_8 C4_8 118.3(9) . . ?
C2_8 C3_8 H3_8 120.8 . . ?
C4_8 C3_8 H3_8 120.8 . . ?
C5_8 C4_8 C3_8 120.3(9) . . ?
C5_8 C4_8 H4_8 119.8 . . ?
C3_8 C4_8 H4_8 119.8 . . ?
C6_8 C5_8 C4_8 120.3(9) . . ?
C6_8 C5_8 Ag1 80.0(7) . . ?
C4_8 C5_8 Ag1 101.7(8) . . ?
C6_8 C5_8 H5_8 119.9 . . ?
C4_8 C5_8 H5_8 119.9 . . ?
Ag1 C5_8 H5_8 88.3 . . ?
C5_8 C6_8 C1_8 119.4(8) . . ?
C5_8 C6_8 Ag1 70.0(7) . . ?
C1_8 C6_8 Ag1 107.9(6) . . ?
C5_8 C6_8 H6_8 120.3 . . ?
C1_8 C6_8 H6_8 120.3 . . ?
Ag1 C6_8 H6_8 92.0 . . ?
F1_6 C1_6 C2_6 116.7(5) . . ?
F1_6 C1_6 C6_6 121.9(5) . . ?
C2_6 C1_6 C6_6 121.4(6) . . ?
F2_6 C2_6 C1_6 121.6(7) . . ?
F2_6 C2_6 C3_6 116.9(7) . . ?
C1_6 C2_6 C3_6 121.5(7) . . ?
C2_6 C3_6 C4_6 118.4(8) . . ?
C2_6 C3_6 H3_6 120.8 . . ?
C4_6 C3_6 H3_6 120.8 . . ?
C3_6 C4_6 C5_6 120.3(7) . . ?
C3_6 C4_6 H4_6 119.9 . . ?
C5_6 C4_6 H4_6 119.9 . . ?
C6_6 C5_6 C4_6 120.4(6) . . ?
C6_6 C5_6 Ag1 76.5(4) . . ?
C4_6 C5_6 Ag1 103.3(6) . . ?
C6_6 C5_6 H5_6 119.8 . . ?
C4_6 C5_6 H5_6 119.8 . . ?
Ag1 C5_6 H5_6 90.2 . . ?
C1_6 C6_6 C5_6 117.9(6) . . ?
C1_6 C6_6 Ag1 103.6(4) . . ?
C5_6 C6_6 Ag1 73.0(4) . . ?
C1_6 C6_6 H6_6 121.0 . . ?
C5_6 C6_6 H6_6 121.0 . . ?
Ag1 C6_6 H6_6 93.2 . . ?
F1_4 C1_4 C6_4 120.49(13) . . ?
F1_4 C1_4 C2_4 118.30(12) . . ?
C6_4 C1_4 C2_4 121.21(12) . . ?
F2_4 C2_4 C3_4 119.82(12) . . ?
F2_4 C2_4 C1_4 118.89(12) . . ?
C3_4 C2_4 C1_4 121.29(12) . . ?
C2_4 C3_4 C4_4 118.44(12) . . ?
C2_4 C3_4 H3_4 120.8 . . ?
C4_4 C3_4 H3_4 120.8 . . ?
C5_4 C4_4 C3_4 120.35(12) . . ?
C5_4 C4_4 Ag1 73.22(7) . . ?
C3_4 C4_4 Ag1 106.77(8) . . ?
C5_4 C4_4 H4_4 119.8 . . ?
C3_4 C4_4 H4_4 119.8 . . ?
Ag1 C4_4 H4_4 90.0 . . ?
C4_4 C5_4 C6_4 120.23(12) . . ?
C4_4 C5_4 Ag1 74.62(7) . . ?
C6_4 C5_4 Ag1 105.19(9) . . ?
C4_4 C5_4 H5_4 119.9 . . ?
C6_4 C5_4 H5_4 119.9 . . ?
Ag1 C5_4 H5_4 90.2 . . ?
C1_4 C6_4 C5_4 118.47(13) . . ?
C1_4 C6_4 H6_4 120.8 . . ?
C5_4 C6_4 H6_4 120.8 . . ?
C1_3 O1_3 Al1 145.63(8) . . ?
O1_3 C1_3 C2_3 110.51(10) . . ?
O1_3 C1_3 C3_3 108.22(10) . . ?
C2_3 C1_3 C3_3 109.62(11) . . ?
O1_3 C1_3 C4_3 110.50(10) . . ?
C2_3 C1_3 C4_3 109.16(10) . . ?
C3_3 C1_3 C4_3 108.78(10) . . ?
F3_3 C2_3 F1_3 107.64(12) . . ?
F3_3 C2_3 F2_3 107.88(12) . . ?
F1_3 C2_3 F2_3 107.38(12) . . ?
F3_3 C2_3 C1_3 110.87(12) . . ?
F1_3 C2_3 C1_3 110.12(11) . . ?
F2_3 C2_3 C1_3 112.75(12) . . ?
F5_3 C3_3 F4_3 107.67(12) . . ?
F5_3 C3_3 F6_3 107.88(12) . . ?
F4_3 C3_3 F6_3 107.76(12) . . ?
F5_3 C3_3 C1_3 110.62(11) . . ?
F4_3 C3_3 C1_3 110.49(11) . . ?
F6_3 C3_3 C1_3 112.25(11) . . ?
F7_3 C4_3 F8_3 108.24(12) . . ?
F7_3 C4_3 F9_3 106.84(11) . . ?
F8_3 C4_3 F9_3 107.31(11) . . ?
F7_3 C4_3 C1_3 110.49(11) . . ?
F8_3 C4_3 C1_3 113.05(11) . . ?
F9_3 C4_3 C1_3 110.66(10) . . ?
C1_2 O1_2 Al1 146.88(8) . . ?
O1_2 C1_2 C4_2 109.75(9) . . ?
O1_2 C1_2 C2_2 111.33(10) . . ?
C4_2 C1_2 C2_2 109.56(10) . . ?
O1_2 C1_2 C3_2 107.84(10) . . ?
C4_2 C1_2 C3_2 109.15(10) . . ?
C2_2 C1_2 C3_2 109.17(10) . . ?
F3_2 C2_2 F2_2 107.92(10) . . ?
F3_2 C2_2 F1_2 107.40(11) . . ?
F2_2 C2_2 F1_2 107.91(11) . . ?
F3_2 C2_2 C1_2 110.79(10) . . ?
F2_2 C2_2 C1_2 112.40(11) . . ?
F1_2 C2_2 C1_2 110.24(10) . . ?
F4_2 C3_2 F6_2 108.10(11) . . ?
F4_2 C3_2 F5_2 107.47(11) . . ?
F6_2 C3_2 F5_2 107.43(10) . . ?
F4_2 C3_2 C1_2 111.14(10) . . ?
F6_2 C3_2 C1_2 112.22(11) . . ?
F5_2 C3_2 C1_2 110.28(10) . . ?
F9_2 C4_2 F7_2 107.02(10) . . ?
F9_2 C4_2 F8_2 107.62(11) . . ?
F7_2 C4_2 F8_2 107.85(11) . . ?
F9_2 C4_2 C1_2 110.48(10) . . ?
F7_2 C4_2 C1_2 110.63(10) . . ?
F8_2 C4_2 C1_2 113.01(10) . . ?
C1_1 O1_1 Al1 145.27(8) . . ?
O1_1 C1_1 C4_1 108.78(10) . . ?
O1_1 C1_1 C2_1 112.41(10) . . ?
C4_1 C1_1 C2_1 109.07(11) . . ?
O1_1 C1_1 C3_1 108.50(10) . . ?
C4_1 C1_1 C3_1 109.33(10) . . ?
C2_1 C1_1 C3_1 108.71(10) . . ?
F3_1 C2_1 F2_1 108.17(13) . . ?
F3_1 C2_1 F1_1 107.25(13) . . ?
F2_1 C2_1 F1_1 107.85(12) . . ?
F3_1 C2_1 C1_1 110.14(12) . . ?
F2_1 C2_1 C1_1 112.52(11) . . ?
F1_1 C2_1 C1_1 110.72(12) . . ?
F4_1 C3_1 F5_1 108.20(12) . . ?
F4_1 C3_1 F6_1 107.79(11) . . ?
F5_1 C3_1 F6_1 108.02(12) . . ?
F4_1 C3_1 C1_1 110.41(11) . . ?
F5_1 C3_1 C1_1 109.98(10) . . ?
F6_1 C3_1 C1_1 112.31(11) . . ?
F9_1 C4_1 F8_1 107.72(12) . . ?
F9_1 C4_1 F7_1 107.67(12) . . ?
F8_1 C4_1 F7_1 108.43(12) . . ?
F9_1 C4_1 C1_1 110.46(11) . . ?
F8_1 C4_1 C1_1 112.74(11) . . ?
F7_1 C4_1 C1_1 109.67(11) . . ?
F1 Ag1 C5_7 98.4(2) . . ?
F1 Ag1 C5_4 104.78(4) . . ?
C5_7 Ag1 C5_4 148.9(2) . . ?
F1 Ag1 C5_5 86.62(6) . . ?
C5_4 Ag1 C5_5 142.71(7) . . ?
F1 Ag1 C4_4 110.49(3) . . ?
C5_7 Ag1 C4_4 119.4(2) . . ?
C5_4 Ag1 C4_4 32.15(4) . . ?
C5_5 Ag1 C4_4 110.56(7) . . ?
F1 Ag1 C6_7 85.0(2) . . ?
C5_7 Ag1 C6_7 31.6(2) . . ?
C5_4 Ag1 C6_7 130.3(3) . . ?
C4_4 Ag1 C6_7 98.4(3) . . ?
F1 Ag1 C5_8 91.4(2) . . ?
C5_7 Ag1 C5_8 88.4(3) . . ?
C5_4 Ag1 C5_8 111.1(2) . . ?
C4_4 Ag1 C5_8 139.8(2) . . ?
C6_7 Ag1 C5_8 117.3(3) . . ?
F1 Ag1 C5_6 96.05(15) . . ?
C5_4 Ag1 C5_6 115.49(16) . . ?
C5_5 Ag1 C5_6 97.95(16) . . ?
C4_4 Ag1 C5_6 141.54(17) . . ?
F1 Ag1 C6_6 82.18(13) . . ?
C5_4 Ag1 C6_6 93.07(11) . . ?
C5_5 Ag1 C6_6 123.92(12) . . ?
C4_4 Ag1 C6_6 124.87(11) . . ?
C5_6 Ag1 C6_6 30.53(14) . . ?
F1 Ag1 C6_8 83.83(18) . . ?
C5_7 Ag1 C6_8 118.2(3) . . ?
C5_4 Ag1 C6_8 85.05(16) . . ?
C4_4 Ag1 C6_8 116.92(16) . . ?
C6_7 Ag1 C6_8 144.6(3) . . ?
C5_8 Ag1 C6_8 30.0(2) . . ?
F1 Ag1 C5_9 81.3(4) . . ?
C5_4 Ag1 C5_9 99.9(4) . . ?
C4_4 Ag1 C5_9 131.6(4) . . ?
F1 Ag1 C6_5 86.89(4) . . ?
C5_4 Ag1 C6_5 115.56(6) . . ?
C5_5 Ag1 C6_5 28.29(8) . . ?
C4_4 Ag1 C6_5 83.96(6) . . ?
C5_6 Ag1 C6_5 126.09(15) . . ?
C6_6 Ag1 C6_5 151.16(11) . . ?
F1 Al1 O1_3 110.82(4) . . ?
F1 Al1 O1_2 111.98(4) . . ?
O1_3 Al1 O1_2 109.50(4) . . ?
F1 Al1 O1_1 102.41(4) . . ?
O1_3 Al1 O1_1 114.16(5) . . ?
O1_2 Al1 O1_1 107.82(5) . . ?
Al1 F1 Ag1 148.09(4) . . ?

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
F1_9 C1_9 C2_9 F2_9 -3(2) . . . . ?
C6_9 C1_9 C2_9 F2_9 -178.9(18) . . . . ?
F1_9 C1_9 C2_9 C3_9 176.5(17) . . . . ?
C6_9 C1_9 C2_9 C3_9 0.6(17) . . . . ?
F2_9 C2_9 C3_9 C4_9 177(2) . . . . ?
C1_9 C2_9 C3_9 C4_9 -2.0(17) . . . . ?
C2_9 C3_9 C4_9 C5_9 5(3) . . . . ?
C2_9 C3_9 C4_9 Ag1 72.7(14) . . . . ?
C3_9 C4_9 C5_9 C6_9 -6(5) . . . . ?
Ag1 C4_9 C5_9 C6_9 -96(3) . . . . ?
C3_9 C4_9 C5_9 Ag1 90(2) . . . . ?
F1_9 C1_9 C6_9 C5_9 -178(2) . . . . ?
C2_9 C1_9 C6_9 C5_9 -2(3) . . . . ?
C4_9 C5_9 C6_9 C1_9 5(4) . . . . ?
Ag1 C5_9 C6_9 C1_9 -85.5(17) . . . . ?
F1_5 C1_5 C2_5 F2_5 -1.3(3) . . . . ?
C6_5 C1_5 C2_5 F2_5 178.2(2) . . . . ?
F1_5 C1_5 C2_5 C3_5 179.6(2) . . . . ?
C6_5 C1_5 C2_5 C3_5 -0.9(3) . . . . ?
F2_5 C2_5 C3_5 C4_5 -178.0(3) . . . . ?
C1_5 C2_5 C3_5 C4_5 1.1(4) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.1(4) . . . . ?
C3_5 C4_5 C5_5 C6_5 -1.5(4) . . . . ?
C3_5 C4_5 C5_5 Ag1 -94.5(2) . . . . ?
F1_5 C1_5 C6_5 C5_5 179.0(2) . . . . ?
C2_5 C1_5 C6_5 C5_5 -0.5(3) . . . . ?
F1_5 C1_5 C6_5 Ag1 -116.60(18) . . . . ?
C2_5 C1_5 C6_5 Ag1 63.9(2) . . . . ?
C4_5 C5_5 C6_5 C1_5 1.7(3) . . . . ?
Ag1 C5_5 C6_5 C1_5 93.97(19) . . . . ?
C4_5 C5_5 C6_5 Ag1 -92.3(2) . . . . ?
F1_7 C1_7 C2_7 F2_7 -0.9(14) . . . . ?
C6_7 C1_7 C2_7 F2_7 177.6(12) . . . . ?
F1_7 C1_7 C2_7 C3_7 -179.4(10) . . . . ?
C6_7 C1_7 C2_7 C3_7 -1.0(13) . . . . ?
F2_7 C2_7 C3_7 C4_7 -178.6(12) . . . . ?
C1_7 C2_7 C3_7 C4_7 0.0(13) . . . . ?
C2_7 C3_7 C4_7 C5_7 1.9(14) . . . . ?
C2_7 C3_7 C4_7 Ag1 -53.2(10) . . . . ?
C3_7 C4_7 C5_7 C6_7 -3.0(15) . . . . ?
Ag1 C4_7 C5_7 C6_7 84.4(9) . . . . ?
C3_7 C4_7 C5_7 Ag1 -87.4(10) . . . . ?
F1_7 C1_7 C6_7 C5_7 178.2(10) . . . . ?
C2_7 C1_7 C6_7 C5_7 -0.1(16) . . . . ?
F1_7 C1_7 C6_7 Ag1 -107.0(10) . . . . ?
C2_7 C1_7 C6_7 Ag1 74.8(10) . . . . ?
C4_7 C5_7 C6_7 C1_7 2.1(16) . . . . ?
Ag1 C5_7 C6_7 C1_7 98.7(10) . . . . ?
C4_7 C5_7 C6_7 Ag1 -96.7(9) . . . . ?
F1_8 C1_8 C2_8 F2_8 -0.1(15) . . . . ?
C6_8 C1_8 C2_8 F2_8 179.4(11) . . . . ?
F1_8 C1_8 C2_8 C3_8 179.5(11) . . . . ?
C6_8 C1_8 C2_8 C3_8 -1.0(11) . . . . ?
F2_8 C2_8 C3_8 C4_8 -179.8(15) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.7(13) . . . . ?
C2_8 C3_8 C4_8 C5_8 -1.1(19) . . . . ?
C3_8 C4_8 C5_8 C6_8 1.7(19) . . . . ?
C3_8 C4_8 C5_8 Ag1 86.9(13) . . . . ?
C4_8 C5_8 C6_8 C1_8 -2.0(16) . . . . ?
Ag1 C5_8 C6_8 C1_8 -99.8(9) . . . . ?
C4_8 C5_8 C6_8 Ag1 97.8(11) . . . . ?
F1_8 C1_8 C6_8 C5_8 -178.8(11) . . . . ?
C2_8 C1_8 C6_8 C5_8 1.7(14) . . . . ?
F1_8 C1_8 C6_8 Ag1 104.6(10) . . . . ?
C2_8 C1_8 C6_8 Ag1 -75.0(9) . . . . ?
F1_6 C1_6 C2_6 F2_6 0.8(12) . . . . ?
C6_6 C1_6 C2_6 F2_6 179.9(9) . . . . ?
F1_6 C1_6 C2_6 C3_6 -179.3(8) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.1(9) . . . . ?
F2_6 C2_6 C3_6 C4_6 -179.2(11) . . . . ?
C1_6 C2_6 C3_6 C4_6 0.8(10) . . . . ?
C2_6 C3_6 C4_6 C5_6 -0.6(14) . . . . ?
C3_6 C4_6 C5_6 C6_6 -0.3(14) . . . . ?
C3_6 C4_6 C5_6 Ag1 81.7(10) . . . . ?
F1_6 C1_6 C6_6 C5_6 178.3(7) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.8(10) . . . . ?
F1_6 C1_6 C6_6 Ag1 100.6(7) . . . . ?
C2_6 C1_6 C6_6 Ag1 -78.5(7) . . . . ?
C4_6 C5_6 C6_6 C1_6 1.0(11) . . . . ?
Ag1 C5_6 C6_6 C1_6 -96.6(6) . . . . ?
C4_6 C5_6 C6_6 Ag1 97.6(8) . . . . ?
F1_4 C1_4 C2_4 F2_4 0.90(18) . . . . ?
C6_4 C1_4 C2_4 F2_4 -178.03(12) . . . . ?
F1_4 C1_4 C2_4 C3_4 -179.63(12) . . . . ?
C6_4 C1_4 C2_4 C3_4 1.4(2) . . . . ?
F2_4 C2_4 C3_4 C4_4 178.50(11) . . . . ?
C1_4 C2_4 C3_4 C4_4 -0.96(19) . . . . ?
C2_4 C3_4 C4_4 C5_4 -0.28(19) . . . . ?
C2_4 C3_4 C4_4 Ag1 79.77(13) . . . . ?
C3_4 C4_4 C5_4 C6_4 1.07(19) . . . . ?
Ag1 C4_4 C5_4 C6_4 -98.88(12) . . . . ?
C3_4 C4_4 C5_4 Ag1 99.95(11) . . . . ?
F1_4 C1_4 C6_4 C5_4 -179.53(12) . . . . ?
C2_4 C1_4 C6_4 C5_4 -0.6(2) . . . . ?
C4_4 C5_4 C6_4 C1_4 -0.62(19) . . . . ?
Ag1 C5_4 C6_4 C1_4 -81.43(13) . . . . ?
Al1 O1_3 C1_3 C2_3 70.35(18) . . . . ?
Al1 O1_3 C1_3 C3_3 -169.60(12) . . . . ?
Al1 O1_3 C1_3 C4_3 -50.59(18) . . . . ?
O1_3 C1_3 C2_3 F3_3 73.69(14) . . . . ?
C3_3 C1_3 C2_3 F3_3 -45.52(15) . . . . ?
C4_3 C1_3 C2_3 F3_3 -164.58(11) . . . . ?
O1_3 C1_3 C2_3 F1_3 -45.33(14) . . . . ?
C3_3 C1_3 C2_3 F1_3 -164.53(11) . . . . ?
C4_3 C1_3 C2_3 F1_3 76.40(13) . . . . ?
O1_3 C1_3 C2_3 F2_3 -165.24(11) . . . . ?
C3_3 C1_3 C2_3 F2_3 75.56(14) . . . . ?
C4_3 C1_3 C2_3 F2_3 -43.51(15) . . . . ?
O1_3 C1_3 C3_3 F5_3 -44.09(15) . . . . ?
C2_3 C1_3 C3_3 F5_3 76.51(14) . . . . ?
C4_3 C1_3 C3_3 F5_3 -164.19(12) . . . . ?
O1_3 C1_3 C3_3 F4_3 75.04(13) . . . . ?
C2_3 C1_3 C3_3 F4_3 -164.36(11) . . . . ?
C4_3 C1_3 C3_3 F4_3 -45.06(14) . . . . ?
O1_3 C1_3 C3_3 F6_3 -164.65(12) . . . . ?
C2_3 C1_3 C3_3 F6_3 -44.05(16) . . . . ?
C4_3 C1_3 C3_3 F6_3 75.25(15) . . . . ?
O1_3 C1_3 C4_3 F7_3 -40.91(14) . . . . ?
C2_3 C1_3 C4_3 F7_3 -162.65(11) . . . . ?
C3_3 C1_3 C4_3 F7_3 77.77(13) . . . . ?
O1_3 C1_3 C4_3 F8_3 -162.39(11) . . . . ?
C2_3 C1_3 C4_3 F8_3 75.87(13) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.71(15) . . . . ?
O1_3 C1_3 C4_3 F9_3 77.22(13) . . . . ?
C2_3 C1_3 C4_3 F9_3 -44.52(14) . . . . ?
C3_3 C1_3 C4_3 F9_3 -164.11(11) . . . . ?
Al1 O1_2 C1_2 C4_2 -74.72(17) . . . . ?
Al1 O1_2 C1_2 C2_2 46.75(19) . . . . ?
Al1 O1_2 C1_2 C3_2 166.48(11) . . . . ?
O1_2 C1_2 C2_2 F3_2 43.20(14) . . . . ?
C4_2 C1_2 C2_2 F3_2 164.77(10) . . . . ?
C3_2 C1_2 C2_2 F3_2 -75.75(12) . . . . ?
O1_2 C1_2 C2_2 F2_2 164.02(10) . . . . ?
C4_2 C1_2 C2_2 F2_2 -74.41(13) . . . . ?
C3_2 C1_2 C2_2 F2_2 45.07(14) . . . . ?
O1_2 C1_2 C2_2 F1_2 -75.55(13) . . . . ?
C4_2 C1_2 C2_2 F1_2 46.02(13) . . . . ?
C3_2 C1_2 C2_2 F1_2 165.50(10) . . . . ?
O1_2 C1_2 C3_2 F4_2 43.85(13) . . . . ?
C4_2 C1_2 C3_2 F4_2 -75.33(12) . . . . ?
C2_2 C1_2 C3_2 F4_2 164.94(10) . . . . ?
O1_2 C1_2 C3_2 F6_2 165.03(10) . . . . ?
C4_2 C1_2 C3_2 F6_2 45.86(13) . . . . ?
C2_2 C1_2 C3_2 F6_2 -73.87(13) . . . . ?
O1_2 C1_2 C3_2 F5_2 -75.23(12) . . . . ?
C4_2 C1_2 C3_2 F5_2 165.59(10) . . . . ?
C2_2 C1_2 C3_2 F5_2 45.86(13) . . . . ?
O1_2 C1_2 C4_2 F9_2 46.95(14) . . . . ?
C2_2 C1_2 C4_2 F9_2 -75.57(12) . . . . ?
C3_2 C1_2 C4_2 F9_2 164.94(10) . . . . ?
O1_2 C1_2 C4_2 F7_2 -71.37(13) . . . . ?
C2_2 C1_2 C4_2 F7_2 166.11(10) . . . . ?
C3_2 C1_2 C4_2 F7_2 46.62(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 167.59(11) . . . . ?
C2_2 C1_2 C4_2 F8_2 45.07(14) . . . . ?
C3_2 C1_2 C4_2 F8_2 -74.42(13) . . . . ?
Al1 O1_1 C1_1 C4_1 -113.63(15) . . . . ?
Al1 O1_1 C1_1 C2_1 7.3(2) . . . . ?
Al1 O1_1 C1_1 C3_1 127.53(14) . . . . ?
O1_1 C1_1 C2_1 F3_1 41.62(16) . . . . ?
C4_1 C1_1 C2_1 F3_1 162.35(12) . . . . ?
C3_1 C1_1 C2_1 F3_1 -78.51(14) . . . . ?
O1_1 C1_1 C2_1 F2_1 162.40(12) . . . . ?
C4_1 C1_1 C2_1 F2_1 -76.87(15) . . . . ?
C3_1 C1_1 C2_1 F2_1 42.26(16) . . . . ?
O1_1 C1_1 C2_1 F1_1 -76.83(15) . . . . ?
C4_1 C1_1 C2_1 F1_1 43.90(15) . . . . ?
C3_1 C1_1 C2_1 F1_1 163.04(11) . . . . ?
O1_1 C1_1 C3_1 F4_1 41.64(14) . . . . ?
C4_1 C1_1 C3_1 F4_1 -76.85(13) . . . . ?
C2_1 C1_1 C3_1 F4_1 164.17(11) . . . . ?
O1_1 C1_1 C3_1 F5_1 -77.70(13) . . . . ?
C4_1 C1_1 C3_1 F5_1 163.81(11) . . . . ?
C2_1 C1_1 C3_1 F5_1 44.83(14) . . . . ?
O1_1 C1_1 C3_1 F6_1 161.97(11) . . . . ?
C4_1 C1_1 C3_1 F6_1 43.48(14) . . . . ?
C2_1 C1_1 C3_1 F6_1 -75.50(14) . . . . ?
O1_1 C1_1 C4_1 F9_1 46.60(14) . . . . ?
C2_1 C1_1 C4_1 F9_1 -76.33(14) . . . . ?
C3_1 C1_1 C4_1 F9_1 164.92(11) . . . . ?
O1_1 C1_1 C4_1 F8_1 167.17(12) . . . . ?
C2_1 C1_1 C4_1 F8_1 44.24(16) . . . . ?
C3_1 C1_1 C4_1 F8_1 -74.51(15) . . . . ?
O1_1 C1_1 C4_1 F7_1 -71.92(13) . . . . ?
C2_1 C1_1 C4_1 F7_1 165.15(11) . . . . ?
C3_1 C1_1 C4_1 F7_1 46.40(14) . . . . ?
C1_3 O1_3 Al1 F1 28.10(16) . . . . ?
C1_3 O1_3 Al1 O1_2 152.12(14) . . . . ?
C1_3 O1_3 Al1 O1_1 -86.90(15) . . . . ?
C1_2 O1_2 Al1 F1 69.21(15) . . . . ?
C1_2 O1_2 Al1 O1_3 -54.13(16) . . . . ?
C1_2 O1_2 Al1 O1_1 -178.87(14) . . . . ?
C1_1 O1_1 Al1 F1 163.70(15) . . . . ?
C1_1 O1_1 Al1 O1_3 -76.46(16) . . . . ?
C1_1 O1_1 Al1 O1_2 45.44(16) . . . . ?
O1_3 Al1 F1 Ag1 -132.68(8) . . . . ?
O1_2 Al1 F1 Ag1 104.73(8) . . . . ?
O1_1 Al1 F1 Ag1 -10.53(9) . . . . ?

_refine_diff_density_max         0.858
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.065


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p-1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1845816'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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, -z'

_cell_length_a                   15.4760(18)
_cell_length_b                   16.615(2)
_cell_length_c                   18.2967(19)
_cell_angle_alpha                89.488(4)
_cell_angle_beta                 67.742(4)
_cell_angle_gamma                70.537(4)
_cell_volume                     4068.0(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9494
_cell_measurement_theta_min      4.487
_cell_measurement_theta_max      52.103

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_F_000             2280.0
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.27
_exptl_absorpt_coefficient_mu    1.582
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6110
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            85154
_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.214
_diffrn_reflns_theta_max         26.099
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16093
_reflns_number_gt                14316
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0311P)²+4.7751P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16093
_refine_ls_number_parameters     1117
_refine_ls_number_restraints     5916
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0272
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      0.910
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
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 . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
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 . ?

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
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 . . ?

_refine_diff_density_max         0.753
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.062


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c_a
_database_code_depnum_ccdc_archive 'CCDC 1845810'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H18 Al F28 Li O12'
_chemical_formula_sum            'C21 H18 Al F28 Li O12'
_chemical_formula_weight         1028.27

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'
Li Li -0.0003 0.0001 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   35.9221(16)
_cell_length_b                   10.7468(5)
_cell_length_c                   19.3985(9)
_cell_angle_alpha                90
_cell_angle_beta                 102.381(2)
_cell_angle_gamma                90
_cell_volume                     7314.6(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9021
_cell_measurement_theta_min      4.644
_cell_measurement_theta_max      48.987

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_F_000             4064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.253
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6989
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsouce'
_diffrn_measurement_device_type  'Bruker Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            256191
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.161
_diffrn_reflns_theta_max         25.408
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13451
_reflns_number_gt                10618
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX3 v2016.5-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²+11.4394P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13451
_refine_ls_number_parameters     1458
_refine_ls_number_restraints     11779
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_ref         0.1132
_refine_ls_wR_factor_gt          0.1036
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      0.883
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
O1_17 O 0.3753(5) 0.3302(13) 0.9152(8) 0.032(4) Uani 0.137(5) 1 d D U P A 2
C1_17 C 0.3986(7) 0.255(2) 0.913(3) 0.0392(7) Uani 0.137(5) 1 d D U P A 2
O2_17 O 0.4346(4) 0.2778(13) 0.9108(9) 0.047(5) Uani 0.137(5) 1 d D U P A 2
C2_17 C 0.4540(11) 0.167(3) 0.892(2) 0.0609(16) Uani 0.137(5) 1 d D U P A 2
H2A_17 H 0.4662 0.1873 0.8524 0.091 Uiso 0.137(5) 1 calc R U P A 2
H2B_17 H 0.4353 0.1005 0.8771 0.091 Uiso 0.137(5) 1 calc R U P A 2
H2C_17 H 0.4733 0.1395 0.9323 0.091 Uiso 0.137(5) 1 calc R U P A 2
O3_17 O 0.3929(8) 0.1314(19) 0.9152(19) 0.047(7) Uani 0.137(5) 1 d D U P A 2
C3_17 C 0.3531(9) 0.103(4) 0.911(3) 0.0467(9) Uani 0.137(5) 1 d D U P A 2
H3A_17 H 0.3504 0.0151 0.9221 0.070 Uiso 0.137(5) 1 calc R U P A 2
H3B_17 H 0.3385 0.1207 0.8633 0.070 Uiso 0.137(5) 1 calc R U P A 2
H3C_17 H 0.3434 0.1547 0.9451 0.070 Uiso 0.137(5) 1 calc R U P A 2
O1_16 O 0.3353(4) 0.5601(17) 0.9234(9) 0.0381(6) Uani 0.140(3) 1 d D U P A 2
C1_16 C 0.3050(7) 0.5882(16) 0.9388(19) 0.0348(9) Uani 0.140(3) 1 d D U P A 2
O2_16 O 0.2796(5) 0.5137(16) 0.9589(10) 0.0449(7) Uani 0.140(3) 1 d D U P A 2
C2_16 C 0.2908(7) 0.3845(16) 0.9654(16) 0.0605(12) Uani 0.140(3) 1 d D U P A 2
H2A_16 H 0.3103 0.3727 1.0086 0.091 Uiso 0.140(3) 1 calc R U P A 2
H2B_16 H 0.3011 0.3601 0.9245 0.091 Uiso 0.140(3) 1 calc R U P A 2
H2C_16 H 0.2685 0.3329 0.9674 0.091 Uiso 0.140(3) 1 calc R U P A 2
O3_16 O 0.2869(4) 0.6949(13) 0.9396(9) 0.0495(7) Uani 0.140(3) 1 d D U P A 2
C3_16 C 0.3126(9) 0.798(3) 0.931(3) 0.0581(14) Uani 0.140(3) 1 d D U P A 2
H3A_16 H 0.3097 0.8660 0.9635 0.087 Uiso 0.140(3) 1 calc R U P A 2
H3B_16 H 0.3061 0.8290 0.8824 0.087 Uiso 0.140(3) 1 calc R U P A 2
H3C_16 H 0.3390 0.7691 0.9418 0.087 Uiso 0.140(3) 1 calc R U P A 2
O1_15 O 0.4077(6) 0.473(3) 0.7015(15) 0.034(5) Uani 0.178(4) 1 d D U P B 2
C1_15 C 0.4376(5) 0.4650(12) 0.6706(7) 0.0278(6) Uani 0.178(4) 1 d D U P B 2
C2_15 C 0.4367(4) 0.5550(11) 0.6071(7) 0.038(3) Uani 0.178(4) 1 d D U P B 2
F1_15 F 0.4009(4) 0.555(2) 0.5705(11) 0.045(4) Uani 0.178(4) 1 d D U P B 2
F2_15 F 0.4603(5) 0.5196(13) 0.5686(8) 0.047(4) Uani 0.178(4) 1 d D U P B 2
F3_15 F 0.4447(4) 0.6716(11) 0.6271(8) 0.044(3) Uani 0.178(4) 1 d D U P B 2
C3_15 C 0.4723(4) 0.4979(13) 0.7297(7) 0.042(3) Uani 0.178(4) 1 d D U P B 2
F4_15 F 0.4809(5) 0.4050(14) 0.7757(9) 0.047(4) Uani 0.178(4) 1 d D U P B 2
F5_15 F 0.4665(8) 0.600(2) 0.7651(15) 0.054(6) Uani 0.178(4) 1 d D U P B 2
F6_15 F 0.5030(6) 0.521(2) 0.7043(15) 0.048(5) Uani 0.178(4) 1 d D U P B 2
C4_15 C 0.4411(3) 0.3298(11) 0.6439(8) 0.042(3) Uani 0.178(4) 1 d D U P B 2
F7_15 F 0.4298(8) 0.250(2) 0.6875(11) 0.0612(10) Uani 0.178(4) 1 d D U P B 2
F8_15 F 0.4762(3) 0.3067(12) 0.6361(9) 0.062(4) Uani 0.178(4) 1 d D U P B 2
F9_15 F 0.4179(6) 0.311(2) 0.5821(10) 0.043(4) Uani 0.178(4) 1 d D U P B 2
O1_14 O 0.3794(7) 0.7181(14) 0.7112(10) 0.0312(16) Uani 0.379(7) 1 d D U P B 2
C1_14 C 0.3650(3) 0.8336(12) 0.6980(6) 0.0289(7) Uani 0.379(7) 1 d D U P B 2
C2_14 C 0.3531(3) 0.8449(11) 0.6168(6) 0.0447(9) Uani 0.379(7) 1 d D U P B 2
F1_14 F 0.38281(19) 0.8582(8) 0.5884(3) 0.060(2) Uani 0.379(7) 1 d D U P B 2
F2_14 F 0.3297(2) 0.9399(8) 0.5984(4) 0.067(2) Uani 0.379(7) 1 d D U P B 2
F3_14 F 0.3346(3) 0.7421(8) 0.5905(4) 0.069(3) Uani 0.379(7) 1 d D U P B 2
C3_14 C 0.3298(4) 0.8558(11) 0.7315(6) 0.0534(13) Uani 0.379(7) 1 d D U P B 2
F4_14 F 0.3386(3) 0.8154(9) 0.7987(4) 0.097(3) Uani 0.379(7) 1 d D U P B 2
F5_14 F 0.29989(19) 0.7941(6) 0.6963(5) 0.064(2) Uani 0.379(7) 1 d D U P B 2
F6_14 F 0.3228(5) 0.9765(10) 0.7373(6) 0.073(3) Uani 0.379(7) 1 d D U P B 2
C4_14 C 0.3953(3) 0.9331(12) 0.7259(6) 0.0457(11) Uani 0.379(7) 1 d D U P B 2
F7_14 F 0.4001(3) 0.9460(7) 0.7952(4) 0.079(3) Uani 0.379(7) 1 d D U P B 2
F8_14 F 0.3868(4) 1.0443(10) 0.6944(5) 0.053(3) Uani 0.379(7) 1 d D U P B 2
F9_14 F 0.4292(2) 0.9032(9) 0.7148(5) 0.062(2) Uani 0.379(7) 1 d D U P B 2
O1_13 O 0.14067(14) 0.6875(5) 0.0753(2) 0.0238(14) Uani 0.364(4) 1 d D U P C 2
C1_13 C 0.1744(4) 0.7024(14) 0.079(4) 0.0217(10) Uani 0.364(4) 1 d D U P C 2
O2_13 O 0.19807(13) 0.6058(4) 0.0882(3) 0.0264(13) Uani 0.364(4) 1 d D U P C 2
C2_13 C 0.2388(4) 0.629(2) 0.0954(10) 0.045(2) Uani 0.364(4) 1 d D U P C 2
H2A_13 H 0.2528 0.5502 0.1046 0.067 Uiso 0.364(4) 1 calc R U P C 2
H2B_13 H 0.2477 0.6863 0.1348 0.067 Uiso 0.364(4) 1 calc R U P C 2
H2C_13 H 0.2433 0.6657 0.0517 0.067 Uiso 0.364(4) 1 calc R U P C 2
O3_13 O 0.19236(15) 0.8108(5) 0.0817(3) 0.0221(12) Uani 0.364(4) 1 d D U P C 2
C3_13 C 0.1685(6) 0.9206(16) 0.0744(17) 0.0273(18) Uani 0.364(4) 1 d D U P C 2
H3A_13 H 0.1842 0.9948 0.0732 0.041 Uiso 0.364(4) 1 calc R U P C 2
H3B_13 H 0.1560 0.9261 0.1145 0.041 Uiso 0.364(4) 1 calc R U P C 2
H3C_13 H 0.1491 0.9152 0.0305 0.041 Uiso 0.364(4) 1 calc R U P C 2
O1_12 O 0.15726(8) 0.6054(3) 0.07491(14) 0.0241(8) Uani 0.636(4) 1 d D U P C 1
C1_12 C 0.1689(3) 0.7113(8) 0.077(2) 0.0217(10) Uani 0.636(4) 1 d D U P C 1
O2_12 O 0.14608(7) 0.8065(2) 0.07790(14) 0.0230(7) Uani 0.636(4) 1 d D U P C 1
C2_12 C 0.1618(3) 0.9316(9) 0.0816(8) 0.0273(18) Uani 0.636(4) 1 d D U P C 1
H2A_12 H 0.1416 0.9921 0.0831 0.041 Uiso 0.636(4) 1 calc R U P C 1
H2B_12 H 0.1724 0.9471 0.0399 0.041 Uiso 0.636(4) 1 calc R U P C 1
H2C_12 H 0.1820 0.9397 0.1242 0.041 Uiso 0.636(4) 1 calc R U P C 1
O3_12 O 0.20410(9) 0.7438(4) 0.07533(17) 0.0284(8) Uani 0.636(4) 1 d D U P C 1
C3_12 C 0.22968(19) 0.6414(10) 0.0708(5) 0.045(2) Uani 0.636(4) 1 d D U P C 1
H3A_12 H 0.2548 0.6742 0.0682 0.067 Uiso 0.636(4) 1 calc R U P C 1
H3B_12 H 0.2195 0.5922 0.0285 0.067 Uiso 0.636(4) 1 calc R U P C 1
H3C_12 H 0.2321 0.5886 0.1127 0.067 Uiso 0.636(4) 1 calc R U P C 1
O1_11 O 0.33346(7) 0.4835(3) 0.92519(13) 0.0381(6) Uani 0.860(3) 1 d D U P A 1
C1_11 C 0.31378(13) 0.5700(4) 0.9264(2) 0.0348(9) Uani 0.860(3) 1 d D U P A 1
O2_11 O 0.32538(8) 0.6854(2) 0.92221(15) 0.0495(7) Uani 0.860(3) 1 d D U P A 1
C2_11 C 0.29859(13) 0.7855(5) 0.9204(3) 0.0581(14) Uani 0.860(3) 1 d D U P A 1
H2A_11 H 0.3119 0.8653 0.9216 0.087 Uiso 0.860(3) 1 calc R U P A 1
H2B_11 H 0.2868 0.7794 0.9613 0.087 Uiso 0.860(3) 1 calc R U P A 1
H2C_11 H 0.2788 0.7800 0.8769 0.087 Uiso 0.860(3) 1 calc R U P A 1
O3_11 O 0.27706(7) 0.5666(3) 0.93291(15) 0.0449(7) Uani 0.860(3) 1 d D U P A 1
C3_11 C 0.26325(12) 0.4401(4) 0.9381(3) 0.0605(12) Uani 0.860(3) 1 d D U P A 1
H3A_11 H 0.2359 0.4421 0.9370 0.091 Uiso 0.860(3) 1 calc R U P A 1
H3B_11 H 0.2767 0.4026 0.9825 0.091 Uiso 0.860(3) 1 calc R U P A 1
H3C_11 H 0.2679 0.3907 0.8983 0.091 Uiso 0.860(3) 1 calc R U P A 1
O1_10 O 0.11373(6) 0.3707(2) 0.06679(11) 0.0447(6) Uani 1 1 d D U . . .
C1_10 C 0.12322(8) 0.2643(3) 0.07337(13) 0.0293(6) Uani 1 1 d D U . . .
O2_10 O 0.15474(5) 0.21773(16) 0.05864(10) 0.0280(4) Uani 1 1 d D U . . .
C2_10 C 0.17817(9) 0.3041(3) 0.03009(16) 0.0359(7) Uani 1 1 d D U . . .
H2A_10 H 0.2024 0.2643 0.0279 0.054 Uiso 1 1 calc R U . . .
H2B_10 H 0.1830 0.3778 0.0604 0.054 Uiso 1 1 calc R U . . .
H2C_10 H 0.1650 0.3290 -0.0175 0.054 Uiso 1 1 calc R U . . .
O3_10 O 0.10399(5) 0.1737(2) 0.09552(10) 0.0357(5) Uani 1 1 d D U . . .
C3_10 C 0.06894(9) 0.2104(4) 0.11538(19) 0.0573(10) Uani 1 1 d D U . . .
H3A_10 H 0.0583 0.1391 0.1360 0.086 Uiso 1 1 calc R U . . .
H3B_10 H 0.0506 0.2391 0.0735 0.086 Uiso 1 1 calc R U . . .
H3C_10 H 0.0742 0.2780 0.1501 0.086 Uiso 1 1 calc R U . . .
O1_9 O 0.06366(5) 0.59554(18) 0.02104(9) 0.0314(4) Uani 1 1 d D U . . .
C1_9 C 0.03556(7) 0.6471(2) -0.01046(13) 0.0239(5) Uani 1 1 d D U . . .
O2_9 O 0.02343(5) 0.75747(18) 0.00469(10) 0.0317(4) Uani 1 1 d D U . . .
C2_9 C 0.04786(8) 0.8196(3) 0.06388(16) 0.0357(7) Uani 1 1 d D U . . .
H2A_9 H 0.0366 0.8998 0.0721 0.054 Uiso 1 1 calc R U . . .
H2B_9 H 0.0730 0.8331 0.0534 0.054 Uiso 1 1 calc R U . . .
H2C_9 H 0.0504 0.7677 0.1062 0.054 Uiso 1 1 calc R U . . .
O3_9 O 0.01117(5) 0.60212(18) -0.06540(10) 0.0328(4) Uani 1 1 d D U . . .
C3_9 C 0.02094(9) 0.4820(3) -0.09037(16) 0.0380(7) Uani 1 1 d D U . . .
H3A_9 H -0.0015 0.4460 -0.1218 0.057 Uiso 1 1 calc R U . . .
H3B_9 H 0.0296 0.4265 -0.0500 0.057 Uiso 1 1 calc R U . . .
H3C_9 H 0.0414 0.4922 -0.1162 0.057 Uiso 1 1 calc R U . . .
O1_8 O 0.42264(6) 0.5442(2) 0.97336(11) 0.0447(5) Uani 1 1 d D U . . .
C1_8 C 0.44806(8) 0.6080(3) 1.00366(15) 0.0358(7) Uani 1 1 d D U . . .
O2_8 O 0.45423(7) 0.7237(2) 0.98908(13) 0.0560(7) Uani 1 1 d D U . . .
C2_8 C 0.42718(14) 0.7765(4) 0.9300(2) 0.0765(14) Uani 1 1 d D U . . .
H2A_8 H 0.4329 0.8650 0.9256 0.115 Uiso 1 1 calc R U . . .
H2B_8 H 0.4013 0.7674 0.9381 0.115 Uiso 1 1 calc R U . . .
H2C_8 H 0.4291 0.7329 0.8866 0.115 Uiso 1 1 calc R U . . .
O3_8 O 0.47461(6) 0.5726(2) 1.05796(12) 0.0500(6) Uani 1 1 d D U . . .
C3_8 C 0.47094(12) 0.4469(3) 1.0812(2) 0.0613(10) Uani 1 1 d D U . . .
H3A_8 H 0.4913 0.4294 1.1225 0.092 Uiso 1 1 calc R U . . .
H3B_8 H 0.4728 0.3890 1.0431 0.092 Uiso 1 1 calc R U . . .
H3C_8 H 0.4461 0.4367 1.0940 0.092 Uiso 1 1 calc R U . . .
O1_7 O 0.39313(9) 0.2898(3) 0.9069(2) 0.0392(7) Uani 0.863(5) 1 d D U P A 1
C1_7 C 0.39441(15) 0.1796(5) 0.9116(4) 0.0324(12) Uani 0.863(5) 1 d D U P A 1
O2_7 O 0.42545(8) 0.1103(2) 0.91746(14) 0.0471(8) Uani 0.863(5) 1 d D U P A 1
C2_7 C 0.46077(14) 0.1789(6) 0.9189(3) 0.0609(16) Uani 0.863(5) 1 d D U P A 1
H2A_7 H 0.4820 0.1202 0.9233 0.091 Uiso 0.863(5) 1 calc R U P A 1
H2B_7 H 0.4655 0.2360 0.9592 0.091 Uiso 0.863(5) 1 calc R U P A 1
H2C_7 H 0.4584 0.2266 0.8751 0.091 Uiso 0.863(5) 1 calc R U P A 1
O3_7 O 0.36551(8) 0.1055(4) 0.9148(3) 0.0467(9) Uani 0.863(5) 1 d D U P A 1
C3_7 C 0.32995(11) 0.1690(4) 0.9111(3) 0.0656(15) Uani 0.863(5) 1 d D U P A 1
H3A_7 H 0.3099 0.1080 0.9128 0.098 Uiso 0.863(5) 1 calc R U P A 1
H3B_7 H 0.3234 0.2161 0.8669 0.098 Uiso 0.863(5) 1 calc R U P A 1
H3C_7 H 0.3323 0.2262 0.9512 0.098 Uiso 0.863(5) 1 calc R U P A 1
O1_6 O 0.09151(5) 0.46260(15) 0.30344(9) 0.0239(4) Uani 1 1 d D U . . .
C1_6 C 0.06071(6) 0.4492(2) 0.33216(12) 0.0183(5) Uani 1 1 d D U . . .
C2_6 C 0.03487(7) 0.5663(2) 0.32015(15) 0.0296(6) Uani 1 1 d D U . . .
F1_6 F 0.04904(5) 0.65686(15) 0.36531(9) 0.0391(4) Uani 1 1 d D U . . .
F2_6 F -0.00064(4) 0.54176(17) 0.32731(11) 0.0479(5) Uani 1 1 d D U . . .
F3_6 F 0.03245(5) 0.61000(15) 0.25498(9) 0.0374(4) Uani 1 1 d D U . . .
C3_6 C 0.03762(7) 0.3350(2) 0.29733(14) 0.0270(6) Uani 1 1 d D U . . .
F4_6 F 0.06064(4) 0.24022(13) 0.29243(8) 0.0318(4) Uani 1 1 d D U . . .
F5_6 F 0.01849(5) 0.36307(16) 0.23248(8) 0.0388(4) Uani 1 1 d D U . . .
F6_6 F 0.01266(5) 0.29500(15) 0.33462(9) 0.0396(4) Uani 1 1 d D U . . .
C4_6 C 0.07386(8) 0.4257(3) 0.41224(15) 0.0358(7) Uani 1 1 d D U . . .
F7_6 F 0.08818(5) 0.31042(17) 0.42435(9) 0.0460(5) Uani 1 1 d D U . . .
F8_6 F 0.04549(6) 0.43878(19) 0.44654(9) 0.0499(5) Uani 1 1 d D U . . .
F9_6 F 0.10092(5) 0.50620(19) 0.44056(9) 0.0499(5) Uani 1 1 d D U . . .
O1_5 O 0.16529(5) 0.50721(17) 0.28273(12) 0.0380(5) Uani 1 1 d D U . . .
C1_5 C 0.19129(6) 0.4184(2) 0.30472(12) 0.0188(5) Uani 1 1 d D U . . .
C2_5 C 0.17371(7) 0.2866(2) 0.29330(13) 0.0266(6) Uani 1 1 d D U . . .
F1_5 F 0.15457(4) 0.25815(14) 0.34268(8) 0.0318(4) Uani 1 1 d D U . . .
F2_5 F 0.19941(6) 0.19897(15) 0.29349(11) 0.0506(5) Uani 1 1 d D U . . .
F3_5 F 0.14861(6) 0.28240(19) 0.23206(9) 0.0556(6) Uani 1 1 d D U . . .
C3_5 C 0.22312(7) 0.4327(3) 0.26250(14) 0.0294(6) Uani 1 1 d D U . . .
F4_5 F 0.23254(4) 0.55119(15) 0.25768(9) 0.0387(4) Uani 1 1 d D U . . .
F5_5 F 0.21123(6) 0.38961(19) 0.19722(9) 0.0544(5) Uani 1 1 d D U . . .
F6_5 F 0.25449(5) 0.37049(17) 0.29129(11) 0.0499(5) Uani 1 1 d D U . . .
C4_5 C 0.20869(8) 0.4354(3) 0.38428(14) 0.0355(7) Uani 1 1 d D U . . .
F7_5 F 0.23307(6) 0.53063(19) 0.39508(10) 0.0579(6) Uani 1 1 d D U . . .
F8_5 F 0.22814(5) 0.33475(19) 0.41218(9) 0.0538(5) Uani 1 1 d D U . . .
F9_5 F 0.18182(6) 0.45664(19) 0.41960(10) 0.0604(6) Uani 1 1 d D U . . .
O1_4 O 0.11805(5) 0.70709(16) 0.29733(11) 0.0307(4) Uani 1 1 d D U . . .
C1_4 C 0.13367(7) 0.8211(2) 0.30850(12) 0.0190(5) Uani 1 1 d D U . . .
C2_4 C 0.13982(8) 0.8521(3) 0.38810(14) 0.0371(7) Uani 1 1 d D U . . .
F1_4 F 0.10683(5) 0.87550(18) 0.40597(9) 0.0493(5) Uani 1 1 d D U . . .
F2_4 F 0.16228(6) 0.9511(2) 0.40582(10) 0.0583(6) Uani 1 1 d D U . . .
F3_4 F 0.15576(7) 0.7569(2) 0.42638(9) 0.0653(7) Uani 1 1 d D U . . .
C3_4 C 0.17291(7) 0.8284(2) 0.28636(13) 0.0238(5) Uani 1 1 d D U . . .
F4_4 F 0.17143(4) 0.76631(14) 0.22675(8) 0.0293(3) Uani 1 1 d D U . . .
F5_4 F 0.20040(4) 0.77736(16) 0.33484(9) 0.0372(4) Uani 1 1 d D U . . .
F6_4 F 0.18283(5) 0.94467(15) 0.27592(11) 0.0469(5) Uani 1 1 d D U . . .
C4_4 C 0.10587(8) 0.9167(2) 0.26561(14) 0.0300(6) Uani 1 1 d D U . . .
F7_4 F 0.10704(5) 0.90966(19) 0.19720(9) 0.0512(5) Uani 1 1 d D U . . .
F8_4 F 0.11349(5) 1.03300(14) 0.28652(11) 0.0477(5) Uani 1 1 d D U . . .
F9_4 F 0.07035(4) 0.89379(17) 0.27026(10) 0.0431(4) Uani 1 1 d D U . . .
O1_3 O 0.32838(5) 0.52568(17) 0.69354(11) 0.0332(5) Uani 1 1 d D U . . .
C1_3 C 0.30290(7) 0.4367(2) 0.66670(14) 0.0251(5) Uani 1 1 d D U . . .
C2_3 C 0.28833(8) 0.4616(3) 0.58723(16) 0.0381(7) Uani 1 1 d D U . . .
F1_3 F 0.26466(5) 0.55754(18) 0.57552(10) 0.0501(5) Uani 1 1 d D U . . .
F2_3 F 0.26985(6) 0.3630(2) 0.55351(10) 0.0592(6) Uani 1 1 d D U . . .
F3_3 F 0.31701(6) 0.48653(19) 0.55621(10) 0.0515(5) Uani 1 1 d D U . . .
C3_3 C 0.32064(8) 0.3044(3) 0.67684(16) 0.0353(7) Uani 1 1 d D U . . .
F4_3 F 0.34335(5) 0.29396(17) 0.74041(10) 0.0488(5) Uani 1 1 d D U . . .
F5_3 F 0.34199(5) 0.28145(16) 0.63001(10) 0.0456(4) Uani 1 1 d D U . . .
F6_3 F 0.29432(5) 0.21555(16) 0.67042(11) 0.0520(5) Uani 1 1 d D U . . .
C4_3 C 0.26928(8) 0.4449(3) 0.70489(16) 0.0370(7) Uani 1 1 d D U . . .
F7_3 F 0.27939(6) 0.3978(2) 0.76980(10) 0.0530(5) Uani 1 1 d D U . . .
F8_3 F 0.23856(5) 0.38273(18) 0.67083(11) 0.0497(5) Uani 1 1 d D U . . .
F9_3 F 0.25879(5) 0.56175(17) 0.71067(10) 0.0469(5) Uani 1 1 d D U . . .
O1_2 O 0.40336(13) 0.4832(7) 0.6880(3) 0.0326(12) Uani 0.822(4) 1 d D U P B 1
C1_2 C 0.43852(12) 0.4669(4) 0.6756(2) 0.0278(6) Uani 0.822(4) 1 d D U P B 1
C2_2 C 0.46488(9) 0.5808(3) 0.70061(18) 0.0305(8) Uani 0.822(4) 1 d D U P B 1
F1_2 F 0.45675(9) 0.6758(2) 0.65616(17) 0.0397(7) Uani 0.822(4) 1 d D U P B 1
F2_2 F 0.50143(13) 0.5556(5) 0.7081(3) 0.0448(11) Uani 0.822(4) 1 d D U P B 1
F3_2 F 0.45938(15) 0.6200(4) 0.7629(3) 0.0377(9) Uani 0.822(4) 1 d D U P B 1
C3_2 C 0.45778(11) 0.3496(3) 0.7132(2) 0.0488(11) Uani 0.822(4) 1 d D U P B 1
F4_2 F 0.43353(15) 0.2569(4) 0.70778(19) 0.0612(10) Uani 0.822(4) 1 d D U P B 1
F5_2 F 0.47077(13) 0.3719(4) 0.7812(2) 0.0748(14) Uani 0.822(4) 1 d D U P B 1
F6_2 F 0.48680(8) 0.3100(3) 0.6858(2) 0.0762(10) Uani 0.822(4) 1 d D U P B 1
C4_2 C 0.43344(10) 0.4515(4) 0.59518(19) 0.0393(9) Uani 0.822(4) 1 d D U P B 1
F7_2 F 0.41926(17) 0.3398(5) 0.5747(2) 0.0532(14) Uani 0.822(4) 1 d D U P B 1
F8_2 F 0.46644(12) 0.4629(4) 0.5739(2) 0.0723(12) Uani 0.822(4) 1 d D U P B 1
F9_2 F 0.40990(12) 0.5348(5) 0.5595(2) 0.0587(12) Uani 0.822(4) 1 d D U P B 1
O1_1 O 0.3822(4) 0.7244(8) 0.7276(5) 0.0312(16) Uani 0.621(7) 1 d D U P B 1
C1_1 C 0.3688(2) 0.8366(8) 0.7034(4) 0.0289(7) Uani 0.621(7) 1 d D U P B 1
C2_1 C 0.3367(2) 0.8753(7) 0.7408(4) 0.0534(13) Uani 0.621(7) 1 d D U P B 1
F1_1 F 0.35179(16) 0.9020(6) 0.8085(2) 0.0995(19) Uani 0.621(7) 1 d D U P B 1
F2_1 F 0.3153(2) 0.9680(6) 0.7076(5) 0.085(2) Uani 0.621(7) 1 d D U P B 1
F3_1 F 0.31259(14) 0.7806(4) 0.7408(3) 0.0605(14) Uani 0.621(7) 1 d D U P B 1
C3_1 C 0.3547(2) 0.8383(8) 0.6234(4) 0.0447(9) Uani 0.621(7) 1 d D U P B 1
F4_1 F 0.37764(13) 0.7769(6) 0.5908(2) 0.0723(15) Uani 0.621(7) 1 d D U P B 1
F5_1 F 0.32053(12) 0.7809(5) 0.6052(3) 0.0617(14) Uani 0.621(7) 1 d D U P B 1
F6_1 F 0.35029(19) 0.9504(5) 0.5955(3) 0.0824(17) Uani 0.621(7) 1 d D U P B 1
C4_1 C 0.4026(2) 0.9302(8) 0.7244(4) 0.0457(11) Uani 0.621(7) 1 d D U P B 1
F7_1 F 0.42627(15) 0.9197(6) 0.6818(3) 0.0567(14) Uani 0.621(7) 1 d D U P B 1
F8_1 F 0.3892(3) 1.0468(6) 0.7237(4) 0.076(2) Uani 0.621(7) 1 d D U P B 1
F9_1 F 0.42225(15) 0.9090(5) 0.7880(2) 0.0677(14) Uani 0.621(7) 1 d D U P B 1
Al1 Al 0.11940(2) 0.55957(6) 0.26533(3) 0.01385(14) Uani 1 1 d . U . . .
Al2 Al 0.37455(2) 0.56545(7) 0.73054(4) 0.01850(16) Uani 1 1 d . U . . .
F1 F 0.10289(4) 0.55946(16) 0.17769(7) 0.0332(4) Uani 1 1 d . U . . .
F2 F 0.38388(5) 0.53385(16) 0.81694(8) 0.0391(4) Uani 1 1 d . U . . .
Li1 Li 0.10848(12) 0.5436(4) 0.0856(2) 0.0248(9) Uani 1 1 d . U . . .
Li2 Li 0.38291(14) 0.4693(5) 0.9040(3) 0.0392(12) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O1_17 C1_17 1.172(15) . ?
O1_17 Li2 1.543(15) . ?
C1_17 O2_17 1.323(17) . ?
C1_17 O3_17 1.349(16) . ?
C1_17 Li2 2.37(2) . ?
O2_17 C2_17 1.465(17) . ?
C2_17 H2A_17 0.9800 . ?
C2_17 H2B_17 0.9800 . ?
C2_17 H2C_17 0.9800 . ?
O3_17 C3_17 1.446(17) . ?
C3_17 H3A_17 0.9800 . ?
C3_17 H3B_17 0.9800 . ?
C3_17 H3C_17 0.9800 . ?
O1_16 C1_16 1.228(14) . ?
O1_16 Li2 2.072(12) . ?
C1_16 O3_16 1.319(13) . ?
C1_16 O2_16 1.332(14) . ?
O2_16 C2_16 1.444(14) . ?
C2_16 H2A_16 0.9800 . ?
C2_16 H2B_16 0.9800 . ?
C2_16 H2C_16 0.9800 . ?
O3_16 C3_16 1.476(15) . ?
C3_16 H3A_16 0.9800 . ?
C3_16 H3B_16 0.9800 . ?
C3_16 H3C_16 0.9800 . ?
O1_15 C1_15 1.342(13) . ?
O1_15 Al2 1.73(2) . ?
C1_15 C3_15 1.542(12) . ?
C1_15 C4_15 1.556(12) . ?
C1_15 C2_15 1.559(12) . ?
C2_15 F2_15 1.304(12) . ?
C2_15 F3_15 1.326(12) . ?
C2_15 F1_15 1.330(12) . ?
C3_15 F6_15 1.323(13) . ?
C3_15 F4_15 1.331(12) . ?
C3_15 F5_15 1.336(13) . ?
C4_15 F9_15 1.321(13) . ?
C4_15 F8_15 1.323(11) . ?
C4_15 F7_15 1.332(13) . ?
O1_14 C1_14 1.348(11) . ?
O1_14 Al2 1.699(17) . ?
C1_14 C4_14 1.539(11) . ?
C1_14 C2_14 1.546(11) . ?
C1_14 C3_14 1.560(11) . ?
C2_14 F1_14 1.310(11) . ?
C2_14 F2_14 1.321(11) . ?
C2_14 F3_14 1.334(11) . ?
C3_14 F5_14 1.320(11) . ?
C3_14 F6_14 1.331(12) . ?
C3_14 F4_14 1.346(11) . ?
C4_14 F9_14 1.323(11) . ?
C4_14 F7_14 1.325(11) . ?
C4_14 F8_14 1.347(11) . ?
O1_13 C1_13 1.208(13) . ?
O1_13 Li1 1.966(6) . ?
C1_13 O3_13 1.328(12) . ?
C1_13 O2_13 1.330(16) . ?
O2_13 C2_13 1.461(13) . ?
C2_13 H2A_13 0.9800 . ?
C2_13 H2B_13 0.9800 . ?
C2_13 H2C_13 0.9800 . ?
O3_13 C3_13 1.448(15) . ?
C3_13 H3A_13 0.9800 . ?
C3_13 H3B_13 0.9800 . ?
C3_13 H3C_13 0.9800 . ?
O1_12 C1_12 1.210(8) . ?
O1_12 Li1 1.926(5) . ?
C1_12 O2_12 1.312(11) . ?
C1_12 O3_12 1.322(8) . ?
O2_12 C2_12 1.453(11) . ?
C2_12 H2A_12 0.9800 . ?
C2_12 H2B_12 0.9800 . ?
C2_12 H2C_12 0.9800 . ?
O3_12 C3_12 1.448(9) . ?
C3_12 H3A_12 0.9800 . ?
C3_12 H3B_12 0.9800 . ?
C3_12 H3C_12 0.9800 . ?
O1_11 C1_11 1.171(5) . ?
O1_11 Li2 1.913(6) . ?
C1_11 O2_11 1.316(5) . ?
C1_11 O3_11 1.352(5) . ?
O2_11 C2_11 1.439(5) . ?
C2_11 H2A_11 0.9800 . ?
C2_11 H2B_11 0.9800 . ?
C2_11 H2C_11 0.9800 . ?
O3_11 C3_11 1.457(5) . ?
C3_11 H3A_11 0.9800 . ?
C3_11 H3B_11 0.9800 . ?
C3_11 H3C_11 0.9800 . ?
O1_10 C1_10 1.192(3) . ?
O1_10 Li1 1.910(5) . ?
C1_10 O3_10 1.318(3) . ?
C1_10 O2_10 1.324(3) . ?
O2_10 C2_10 1.441(3) . ?
C2_10 H2A_10 0.9800 . ?
C2_10 H2B_10 0.9800 . ?
C2_10 H2C_10 0.9800 . ?
O3_10 C3_10 1.448(3) . ?
C3_10 H3A_10 0.9800 . ?
C3_10 H3B_10 0.9800 . ?
C3_10 H3C_10 0.9800 . ?
O1_9 C1_9 1.197(3) . ?
O1_9 Li1 1.899(4) . ?
C1_9 O3_9 1.318(3) . ?
C1_9 O2_9 1.319(3) . ?
O2_9 C2_9 1.450(3) . ?
C2_9 H2A_9 0.9800 . ?
C2_9 H2B_9 0.9800 . ?
C2_9 H2C_9 0.9800 . ?
O3_9 C3_9 1.448(3) . ?
C3_9 H3A_9 0.9800 . ?
C3_9 H3B_9 0.9800 . ?
C3_9 H3C_9 0.9800 . ?
O1_8 C1_8 1.192(3) . ?
O1_8 Li2 1.916(5) . ?
C1_8 O2_8 1.304(4) . ?
C1_8 O3_8 1.316(3) . ?
O2_8 C2_8 1.449(4) . ?
C2_8 H2A_8 0.9800 . ?
C2_8 H2B_8 0.9800 . ?
C2_8 H2C_8 0.9800 . ?
O3_8 C3_8 1.440(4) . ?
C3_8 H3A_8 0.9800 . ?
C3_8 H3B_8 0.9800 . ?
C3_8 H3C_8 0.9800 . ?
O1_7 C1_7 1.188(6) . ?
O1_7 Li2 1.961(6) . ?
C1_7 O3_7 1.321(6) . ?
C1_7 O2_7 1.325(6) . ?
O2_7 C2_7 1.463(6) . ?
C2_7 H2A_7 0.9800 . ?
C2_7 H2B_7 0.9800 . ?
C2_7 H2C_7 0.9800 . ?
O3_7 C3_7 1.436(6) . ?
C3_7 H3A_7 0.9800 . ?
C3_7 H3B_7 0.9800 . ?
C3_7 H3C_7 0.9800 . ?
O1_6 C1_6 1.349(3) . ?
O1_6 Al1 1.7186(17) . ?
C1_6 C4_6 1.544(3) . ?
C1_6 C2_6 1.551(3) . ?
C1_6 C3_6 1.552(3) . ?
C2_6 F3_6 1.334(3) . ?
C2_6 F1_6 1.335(3) . ?
C2_6 F2_6 1.339(3) . ?
C3_6 F4_6 1.328(3) . ?
C3_6 F5_6 1.332(3) . ?
C3_6 F6_6 1.338(3) . ?
C4_6 F9_6 1.329(3) . ?
C4_6 F8_6 1.339(3) . ?
C4_6 F7_6 1.343(3) . ?
O1_5 C1_5 1.339(3) . ?
O1_5 Al1 1.7056(18) . ?
C1_5 C4_5 1.547(3) . ?
C1_5 C2_5 1.548(3) . ?
C1_5 C3_5 1.550(3) . ?
C2_5 F2_5 1.318(3) . ?
C2_5 F1_5 1.329(3) . ?
C2_5 F3_5 1.329(3) . ?
C3_5 F6_5 1.326(3) . ?
C3_5 F4_5 1.326(3) . ?
C3_5 F5_5 1.330(3) . ?
C4_5 F9_5 1.318(3) . ?
C4_5 F7_5 1.334(3) . ?
C4_5 F8_5 1.337(4) . ?
O1_4 C1_4 1.345(3) . ?
O1_4 Al1 1.7071(18) . ?
C1_4 C4_4 1.546(3) . ?
C1_4 C2_4 1.548(3) . ?
C1_4 C3_4 1.561(3) . ?
C2_4 F3_4 1.321(3) . ?
C2_4 F1_4 1.328(3) . ?
C2_4 F2_4 1.335(4) . ?
C3_4 F4_4 1.326(3) . ?
C3_4 F6_4 1.327(3) . ?
C3_4 F5_4 1.327(3) . ?
C4_4 F9_4 1.321(3) . ?
C4_4 F8_4 1.325(3) . ?
C4_4 F7_4 1.339(3) . ?
O1_3 C1_3 1.348(3) . ?
O1_3 Al2 1.7139(19) . ?
C1_3 C2_3 1.541(4) . ?
C1_3 C4_3 1.549(4) . ?
C1_3 C3_3 1.554(4) . ?
C2_3 F1_3 1.325(3) . ?
C2_3 F3_3 1.327(3) . ?
C2_3 F2_3 1.344(3) . ?
C3_3 F4_3 1.329(3) . ?
C3_3 F6_3 1.331(3) . ?
C3_3 F5_3 1.331(3) . ?
C4_3 F9_3 1.323(3) . ?
C4_3 F7_3 1.333(3) . ?
C4_3 F8_3 1.337(3) . ?
O1_2 C1_2 1.347(5) . ?
O1_2 Al2 1.702(5) . ?
C1_2 C4_2 1.541(5) . ?
C1_2 C3_2 1.544(5) . ?
C1_2 C2_2 1.561(5) . ?
C2_2 F2_2 1.318(5) . ?
C2_2 F1_2 1.328(4) . ?
C2_2 F3_2 1.333(5) . ?
C3_2 F4_2 1.312(5) . ?
C3_2 F5_2 1.323(6) . ?
C3_2 F6_2 1.337(5) . ?
C4_2 F9_2 1.320(6) . ?
C4_2 F7_2 1.331(6) . ?
C4_2 F8_2 1.342(5) . ?
O1_1 C1_1 1.345(7) . ?
O1_1 Al2 1.732(10) . ?
C1_1 C3_1 1.526(8) . ?
C1_1 C2_1 1.547(8) . ?
C1_1 C4_1 1.563(7) . ?
C2_1 F2_1 1.336(9) . ?
C2_1 F3_1 1.336(7) . ?
C2_1 F1_1 1.339(8) . ?
C3_1 F6_1 1.316(8) . ?
C3_1 F4_1 1.318(8) . ?
C3_1 F5_1 1.351(8) . ?
C4_1 F9_1 1.302(8) . ?
C4_1 F7_1 1.311(8) . ?
C4_1 F8_1 1.342(8) . ?
Al1 F1 1.6762(15) . ?
Al2 F2 1.6721(16) . ?
F1 Li1 1.848(4) . ?
F2 Li2 1.834(5) . ?

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
C1_17 O1_17 Li2 120.6(17) . . ?
O1_17 C1_17 O2_17 126(2) . . ?
O1_17 C1_17 O3_17 124.0(19) . . ?
O2_17 C1_17 O3_17 109.9(18) . . ?
O1_17 C1_17 Li2 34.1(10) . . ?
O2_17 C1_17 Li2 92.3(13) . . ?
O3_17 C1_17 Li2 157.7(16) . . ?
C1_17 O2_17 C2_17 112(2) . . ?
O2_17 C2_17 H2A_17 109.5 . . ?
O2_17 C2_17 H2B_17 109.5 . . ?
H2A_17 C2_17 H2B_17 109.5 . . ?
O2_17 C2_17 H2C_17 109.5 . . ?
H2A_17 C2_17 H2C_17 109.5 . . ?
H2B_17 C2_17 H2C_17 109.5 . . ?
C1_17 O3_17 C3_17 111(2) . . ?
O3_17 C3_17 H3A_17 109.5 . . ?
O3_17 C3_17 H3B_17 109.5 . . ?
H3A_17 C3_17 H3B_17 109.5 . . ?
O3_17 C3_17 H3C_17 109.5 . . ?
H3A_17 C3_17 H3C_17 109.5 . . ?
H3B_17 C3_17 H3C_17 109.5 . . ?
C1_16 O1_16 Li2 165.9(16) . . ?
O1_16 C1_16 O3_16 132.9(17) . . ?
O1_16 C1_16 O2_16 128.5(16) . . ?
O3_16 C1_16 O2_16 98.7(13) . . ?
C1_16 O2_16 C2_16 114.1(15) . . ?
O2_16 C2_16 H2A_16 109.5 . . ?
O2_16 C2_16 H2B_16 109.5 . . ?
H2A_16 C2_16 H2B_16 109.5 . . ?
O2_16 C2_16 H2C_16 109.5 . . ?
H2A_16 C2_16 H2C_16 109.5 . . ?
H2B_16 C2_16 H2C_16 109.5 . . ?
C1_16 O3_16 C3_16 109.5(18) . . ?
O3_16 C3_16 H3A_16 109.5 . . ?
O3_16 C3_16 H3B_16 109.5 . . ?
H3A_16 C3_16 H3B_16 109.5 . . ?
O3_16 C3_16 H3C_16 109.5 . . ?
H3A_16 C3_16 H3C_16 109.5 . . ?
H3B_16 C3_16 H3C_16 109.5 . . ?
C1_15 O1_15 Al2 149(2) . . ?
O1_15 C1_15 C3_15 104.4(15) . . ?
O1_15 C1_15 C4_15 109.9(16) . . ?
C3_15 C1_15 C4_15 110.6(11) . . ?
O1_15 C1_15 C2_15 115.3(16) . . ?
C3_15 C1_15 C2_15 108.8(10) . . ?
C4_15 C1_15 C2_15 107.8(10) . . ?
F2_15 C2_15 F3_15 108.4(12) . . ?
F2_15 C2_15 F1_15 111.6(14) . . ?
F3_15 C2_15 F1_15 106.2(13) . . ?
F2_15 C2_15 C1_15 111.4(11) . . ?
F3_15 C2_15 C1_15 112.9(11) . . ?
F1_15 C2_15 C1_15 106.2(13) . . ?
F6_15 C3_15 F4_15 107.2(15) . . ?
F6_15 C3_15 F5_15 105.8(16) . . ?
F4_15 C3_15 F5_15 108.2(16) . . ?
F6_15 C3_15 C1_15 111.8(15) . . ?
F4_15 C3_15 C1_15 111.1(11) . . ?
F5_15 C3_15 C1_15 112.4(15) . . ?
F9_15 C4_15 F8_15 107.2(14) . . ?
F9_15 C4_15 F7_15 104.9(15) . . ?
F8_15 C4_15 F7_15 112.3(16) . . ?
F9_15 C4_15 C1_15 111.5(13) . . ?
F8_15 C4_15 C1_15 111.1(11) . . ?
F7_15 C4_15 C1_15 109.6(14) . . ?
C1_14 O1_14 Al2 151.3(18) . . ?
O1_14 C1_14 C4_14 111.1(12) . . ?
O1_14 C1_14 C2_14 106.1(10) . . ?
C4_14 C1_14 C2_14 108.9(9) . . ?
O1_14 C1_14 C3_14 112.0(13) . . ?
C4_14 C1_14 C3_14 108.8(9) . . ?
C2_14 C1_14 C3_14 109.9(9) . . ?
F1_14 C2_14 F2_14 109.3(10) . . ?
F1_14 C2_14 F3_14 108.3(10) . . ?
F2_14 C2_14 F3_14 107.5(10) . . ?
F1_14 C2_14 C1_14 111.4(9) . . ?
F2_14 C2_14 C1_14 110.9(10) . . ?
F3_14 C2_14 C1_14 109.3(9) . . ?
F5_14 C3_14 F6_14 112.7(12) . . ?
F5_14 C3_14 F4_14 109.7(10) . . ?
F6_14 C3_14 F4_14 104.1(10) . . ?
F5_14 C3_14 C1_14 110.5(9) . . ?
F6_14 C3_14 C1_14 111.6(11) . . ?
F4_14 C3_14 C1_14 108.0(9) . . ?
F9_14 C4_14 F7_14 105.4(10) . . ?
F9_14 C4_14 F8_14 105.5(11) . . ?
F7_14 C4_14 F8_14 109.6(10) . . ?
F9_14 C4_14 C1_14 112.4(10) . . ?
F7_14 C4_14 C1_14 111.0(9) . . ?
F8_14 C4_14 C1_14 112.6(10) . . ?
C1_13 O1_13 Li1 134.6(9) . . ?
O1_13 C1_13 O3_13 126.3(15) . . ?
O1_13 C1_13 O2_13 120.6(11) . . ?
O3_13 C1_13 O2_13 112.8(10) . . ?
C1_13 O2_13 C2_13 118.7(10) . . ?
O2_13 C2_13 H2A_13 109.5 . . ?
O2_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2B_13 109.5 . . ?
O2_13 C2_13 H2C_13 109.5 . . ?
H2A_13 C2_13 H2C_13 109.5 . . ?
H2B_13 C2_13 H2C_13 109.5 . . ?
C1_13 O3_13 C3_13 115.9(12) . . ?
O3_13 C3_13 H3A_13 109.5 . . ?
O3_13 C3_13 H3B_13 109.5 . . ?
H3A_13 C3_13 H3B_13 109.5 . . ?
O3_13 C3_13 H3C_13 109.5 . . ?
H3A_13 C3_13 H3C_13 109.5 . . ?
H3B_13 C3_13 H3C_13 109.5 . . ?
C1_12 O1_12 Li1 129.3(7) . . ?
O1_12 C1_12 O2_12 121.6(6) . . ?
O1_12 C1_12 O3_12 124.8(10) . . ?
O2_12 C1_12 O3_12 113.4(6) . . ?
C1_12 O2_12 C2_12 119.1(5) . . ?
O2_12 C2_12 H2A_12 109.5 . . ?
O2_12 C2_12 H2B_12 109.5 . . ?
H2A_12 C2_12 H2B_12 109.5 . . ?
O2_12 C2_12 H2C_12 109.5 . . ?
H2A_12 C2_12 H2C_12 109.5 . . ?
H2B_12 C2_12 H2C_12 109.5 . . ?
C1_12 O3_12 C3_12 115.2(6) . . ?
O3_12 C3_12 H3A_12 109.5 . . ?
O3_12 C3_12 H3B_12 109.5 . . ?
H3A_12 C3_12 H3B_12 109.5 . . ?
O3_12 C3_12 H3C_12 109.5 . . ?
H3A_12 C3_12 H3C_12 109.5 . . ?
H3B_12 C3_12 H3C_12 109.5 . . ?
C1_11 O1_11 Li2 131.3(3) . . ?
O1_11 C1_11 O2_11 123.1(4) . . ?
O1_11 C1_11 O3_11 125.8(4) . . ?
O2_11 C1_11 O3_11 111.1(3) . . ?
C1_11 O2_11 C2_11 119.2(4) . . ?
O2_11 C2_11 H2A_11 109.5 . . ?
O2_11 C2_11 H2B_11 109.5 . . ?
H2A_11 C2_11 H2B_11 109.5 . . ?
O2_11 C2_11 H2C_11 109.5 . . ?
H2A_11 C2_11 H2C_11 109.5 . . ?
H2B_11 C2_11 H2C_11 109.5 . . ?
C1_11 O3_11 C3_11 112.7(3) . . ?
O3_11 C3_11 H3A_11 109.5 . . ?
O3_11 C3_11 H3B_11 109.5 . . ?
H3A_11 C3_11 H3B_11 109.5 . . ?
O3_11 C3_11 H3C_11 109.5 . . ?
H3A_11 C3_11 H3C_11 109.5 . . ?
H3B_11 C3_11 H3C_11 109.5 . . ?
C1_10 O1_10 Li1 161.8(2) . . ?
O1_10 C1_10 O3_10 125.9(3) . . ?
O1_10 C1_10 O2_10 125.3(3) . . ?
O3_10 C1_10 O2_10 108.8(2) . . ?
C1_10 O2_10 C2_10 115.9(2) . . ?
O2_10 C2_10 H2A_10 109.5 . . ?
O2_10 C2_10 H2B_10 109.5 . . ?
H2A_10 C2_10 H2B_10 109.5 . . ?
O2_10 C2_10 H2C_10 109.5 . . ?
H2A_10 C2_10 H2C_10 109.5 . . ?
H2B_10 C2_10 H2C_10 109.5 . . ?
C1_10 O3_10 C3_10 115.6(3) . . ?
O3_10 C3_10 H3A_10 109.5 . . ?
O3_10 C3_10 H3B_10 109.5 . . ?
H3A_10 C3_10 H3B_10 109.5 . . ?
O3_10 C3_10 H3C_10 109.5 . . ?
H3A_10 C3_10 H3C_10 109.5 . . ?
H3B_10 C3_10 H3C_10 109.5 . . ?
C1_9 O1_9 Li1 167.1(2) . . ?
O1_9 C1_9 O3_9 125.8(3) . . ?
O1_9 C1_9 O2_9 125.8(2) . . ?
O3_9 C1_9 O2_9 108.4(2) . . ?
C1_9 O2_9 C2_9 114.7(2) . . ?
O2_9 C2_9 H2A_9 109.5 . . ?
O2_9 C2_9 H2B_9 109.5 . . ?
H2A_9 C2_9 H2B_9 109.5 . . ?
O2_9 C2_9 H2C_9 109.5 . . ?
H2A_9 C2_9 H2C_9 109.5 . . ?
H2B_9 C2_9 H2C_9 109.5 . . ?
C1_9 O3_9 C3_9 115.5(2) . . ?
O3_9 C3_9 H3A_9 109.5 . . ?
O3_9 C3_9 H3B_9 109.5 . . ?
H3A_9 C3_9 H3B_9 109.5 . . ?
O3_9 C3_9 H3C_9 109.5 . . ?
H3A_9 C3_9 H3C_9 109.5 . . ?
H3B_9 C3_9 H3C_9 109.5 . . ?
C1_8 O1_8 Li2 164.8(3) . . ?
O1_8 C1_8 O2_8 126.1(3) . . ?
O1_8 C1_8 O3_8 125.1(3) . . ?
O2_8 C1_8 O3_8 108.8(3) . . ?
C1_8 O2_8 C2_8 115.4(3) . . ?
O2_8 C2_8 H2A_8 109.5 . . ?
O2_8 C2_8 H2B_8 109.5 . . ?
H2A_8 C2_8 H2B_8 109.5 . . ?
O2_8 C2_8 H2C_8 109.5 . . ?
H2A_8 C2_8 H2C_8 109.5 . . ?
H2B_8 C2_8 H2C_8 109.5 . . ?
C1_8 O3_8 C3_8 115.0(3) . . ?
O3_8 C3_8 H3A_8 109.5 . . ?
O3_8 C3_8 H3B_8 109.5 . . ?
H3A_8 C3_8 H3B_8 109.5 . . ?
O3_8 C3_8 H3C_8 109.5 . . ?
H3A_8 C3_8 H3C_8 109.5 . . ?
H3B_8 C3_8 H3C_8 109.5 . . ?
C1_7 O1_7 Li2 170.5(4) . . ?
O1_7 C1_7 O3_7 125.9(4) . . ?
O1_7 C1_7 O2_7 125.8(5) . . ?
O3_7 C1_7 O2_7 108.2(4) . . ?
C1_7 O2_7 C2_7 115.4(3) . . ?
O2_7 C2_7 H2A_7 109.5 . . ?
O2_7 C2_7 H2B_7 109.5 . . ?
H2A_7 C2_7 H2B_7 109.5 . . ?
O2_7 C2_7 H2C_7 109.5 . . ?
H2A_7 C2_7 H2C_7 109.5 . . ?
H2B_7 C2_7 H2C_7 109.5 . . ?
C1_7 O3_7 C3_7 114.2(4) . . ?
O3_7 C3_7 H3A_7 109.5 . . ?
O3_7 C3_7 H3B_7 109.5 . . ?
H3A_7 C3_7 H3B_7 109.5 . . ?
O3_7 C3_7 H3C_7 109.5 . . ?
H3A_7 C3_7 H3C_7 109.5 . . ?
H3B_7 C3_7 H3C_7 109.5 . . ?
C1_6 O1_6 Al1 147.97(16) . . ?
O1_6 C1_6 C4_6 109.4(2) . . ?
O1_6 C1_6 C2_6 111.6(2) . . ?
C4_6 C1_6 C2_6 109.1(2) . . ?
O1_6 C1_6 C3_6 108.27(19) . . ?
C4_6 C1_6 C3_6 109.2(2) . . ?
C2_6 C1_6 C3_6 109.21(19) . . ?
F3_6 C2_6 F1_6 107.6(2) . . ?
F3_6 C2_6 F2_6 107.3(2) . . ?
F1_6 C2_6 F2_6 108.3(2) . . ?
F3_6 C2_6 C1_6 110.1(2) . . ?
F1_6 C2_6 C1_6 111.2(2) . . ?
F2_6 C2_6 C1_6 112.2(2) . . ?
F4_6 C3_6 F5_6 108.0(2) . . ?
F4_6 C3_6 F6_6 106.9(2) . . ?
F5_6 C3_6 F6_6 108.3(2) . . ?
F4_6 C3_6 C1_6 110.8(2) . . ?
F5_6 C3_6 C1_6 110.6(2) . . ?
F6_6 C3_6 C1_6 112.1(2) . . ?
F9_6 C4_6 F8_6 107.1(2) . . ?
F9_6 C4_6 F7_6 108.0(2) . . ?
F8_6 C4_6 F7_6 108.3(2) . . ?
F9_6 C4_6 C1_6 110.4(2) . . ?
F8_6 C4_6 C1_6 112.4(2) . . ?
F7_6 C4_6 C1_6 110.5(2) . . ?
C1_5 O1_5 Al1 151.22(17) . . ?
O1_5 C1_5 C4_5 109.8(2) . . ?
O1_5 C1_5 C2_5 111.79(19) . . ?
C4_5 C1_5 C2_5 108.4(2) . . ?
O1_5 C1_5 C3_5 107.7(2) . . ?
C4_5 C1_5 C3_5 109.2(2) . . ?
C2_5 C1_5 C3_5 109.8(2) . . ?
F2_5 C2_5 F1_5 107.7(2) . . ?
F2_5 C2_5 F3_5 108.6(2) . . ?
F1_5 C2_5 F3_5 106.2(2) . . ?
F2_5 C2_5 C1_5 112.9(2) . . ?
F1_5 C2_5 C1_5 111.4(2) . . ?
F3_5 C2_5 C1_5 109.7(2) . . ?
F6_5 C3_5 F4_5 107.9(2) . . ?
F6_5 C3_5 F5_5 107.2(2) . . ?
F4_5 C3_5 F5_5 107.6(2) . . ?
F6_5 C3_5 C1_5 112.6(2) . . ?
F4_5 C3_5 C1_5 111.1(2) . . ?
F5_5 C3_5 C1_5 110.3(2) . . ?
F9_5 C4_5 F7_5 108.3(2) . . ?
F9_5 C4_5 F8_5 107.9(2) . . ?
F7_5 C4_5 F8_5 106.8(2) . . ?
F9_5 C4_5 C1_5 110.8(2) . . ?
F7_5 C4_5 C1_5 111.0(2) . . ?
F8_5 C4_5 C1_5 111.9(2) . . ?
C1_4 O1_4 Al1 149.41(17) . . ?
O1_4 C1_4 C4_4 108.6(2) . . ?
O1_4 C1_4 C2_4 108.8(2) . . ?
C4_4 C1_4 C2_4 109.3(2) . . ?
O1_4 C1_4 C3_4 111.80(19) . . ?
C4_4 C1_4 C3_4 109.6(2) . . ?
C2_4 C1_4 C3_4 108.6(2) . . ?
F3_4 C2_4 F1_4 107.7(3) . . ?
F3_4 C2_4 F2_4 107.9(2) . . ?
F1_4 C2_4 F2_4 107.8(2) . . ?
F3_4 C2_4 C1_4 110.2(2) . . ?
F1_4 C2_4 C1_4 110.9(2) . . ?
F2_4 C2_4 C1_4 112.2(2) . . ?
F4_4 C3_4 F6_4 107.6(2) . . ?
F4_4 C3_4 F5_4 107.1(2) . . ?
F6_4 C3_4 F5_4 108.3(2) . . ?
F4_4 C3_4 C1_4 110.17(19) . . ?
F6_4 C3_4 C1_4 112.2(2) . . ?
F5_4 C3_4 C1_4 111.3(2) . . ?
F9_4 C4_4 F8_4 107.1(2) . . ?
F9_4 C4_4 F7_4 107.1(2) . . ?
F8_4 C4_4 F7_4 108.0(2) . . ?
F9_4 C4_4 C1_4 111.2(2) . . ?
F8_4 C4_4 C1_4 113.3(2) . . ?
F7_4 C4_4 C1_4 110.0(2) . . ?
C1_3 O1_3 Al2 148.68(18) . . ?
O1_3 C1_3 C2_3 108.7(2) . . ?
O1_3 C1_3 C4_3 108.0(2) . . ?
C2_3 C1_3 C4_3 109.6(2) . . ?
O1_3 C1_3 C3_3 112.0(2) . . ?
C2_3 C1_3 C3_3 109.1(2) . . ?
C4_3 C1_3 C3_3 109.4(2) . . ?
F1_3 C2_3 F3_3 107.3(2) . . ?
F1_3 C2_3 F2_3 107.4(2) . . ?
F3_3 C2_3 F2_3 106.8(3) . . ?
F1_3 C2_3 C1_3 112.0(2) . . ?
F3_3 C2_3 C1_3 111.0(2) . . ?
F2_3 C2_3 C1_3 112.1(2) . . ?
F4_3 C3_3 F6_3 108.0(2) . . ?
F4_3 C3_3 F5_3 106.8(2) . . ?
F6_3 C3_3 F5_3 107.8(2) . . ?
F4_3 C3_3 C1_3 110.4(2) . . ?
F6_3 C3_3 C1_3 112.4(2) . . ?
F5_3 C3_3 C1_3 111.3(2) . . ?
F9_3 C4_3 F7_3 107.8(3) . . ?
F9_3 C4_3 F8_3 107.2(2) . . ?
F7_3 C4_3 F8_3 107.8(2) . . ?
F9_3 C4_3 C1_3 111.1(2) . . ?
F7_3 C4_3 C1_3 110.4(2) . . ?
F8_3 C4_3 C1_3 112.4(2) . . ?
C1_2 O1_2 Al2 147.7(5) . . ?
O1_2 C1_2 C4_2 106.5(4) . . ?
O1_2 C1_2 C3_2 111.4(4) . . ?
C4_2 C1_2 C3_2 109.5(3) . . ?
O1_2 C1_2 C2_2 111.9(4) . . ?
C4_2 C1_2 C2_2 109.3(3) . . ?
C3_2 C1_2 C2_2 108.3(3) . . ?
F2_2 C2_2 F1_2 107.7(4) . . ?
F2_2 C2_2 F3_2 107.7(4) . . ?
F1_2 C2_2 F3_2 106.9(4) . . ?
F2_2 C2_2 C1_2 113.4(3) . . ?
F1_2 C2_2 C1_2 111.5(3) . . ?
F3_2 C2_2 C1_2 109.3(3) . . ?
F4_2 C3_2 F5_2 107.7(4) . . ?
F4_2 C3_2 F6_2 106.7(4) . . ?
F5_2 C3_2 F6_2 108.3(4) . . ?
F4_2 C3_2 C1_2 111.1(4) . . ?
F5_2 C3_2 C1_2 110.4(4) . . ?
F6_2 C3_2 C1_2 112.4(4) . . ?
F9_2 C4_2 F7_2 107.1(4) . . ?
F9_2 C4_2 F8_2 106.6(4) . . ?
F7_2 C4_2 F8_2 107.2(4) . . ?
F9_2 C4_2 C1_2 112.4(4) . . ?
F7_2 C4_2 C1_2 110.7(4) . . ?
F8_2 C4_2 C1_2 112.4(3) . . ?
C1_1 O1_1 Al2 148.0(9) . . ?
O1_1 C1_1 C3_1 112.5(6) . . ?
O1_1 C1_1 C2_1 108.8(8) . . ?
C3_1 C1_1 C2_1 110.8(6) . . ?
O1_1 C1_1 C4_1 106.7(7) . . ?
C3_1 C1_1 C4_1 109.2(6) . . ?
C2_1 C1_1 C4_1 108.7(6) . . ?
F2_1 C2_1 F3_1 105.2(7) . . ?
F2_1 C2_1 F1_1 112.6(7) . . ?
F3_1 C2_1 F1_1 106.8(6) . . ?
F2_1 C2_1 C1_1 112.6(7) . . ?
F3_1 C2_1 C1_1 110.1(6) . . ?
F1_1 C2_1 C1_1 109.3(6) . . ?
F6_1 C3_1 F4_1 107.1(6) . . ?
F6_1 C3_1 F5_1 106.7(6) . . ?
F4_1 C3_1 F5_1 105.8(6) . . ?
F6_1 C3_1 C1_1 114.4(7) . . ?
F4_1 C3_1 C1_1 112.1(6) . . ?
F5_1 C3_1 C1_1 110.2(6) . . ?
F9_1 C4_1 F7_1 106.8(6) . . ?
F9_1 C4_1 F8_1 107.1(7) . . ?
F7_1 C4_1 F8_1 110.8(7) . . ?
F9_1 C4_1 C1_1 111.6(6) . . ?
F7_1 C4_1 C1_1 110.6(6) . . ?
F8_1 C4_1 C1_1 109.8(7) . . ?
F1 Al1 O1_5 108.49(10) . . ?
F1 Al1 O1_4 109.76(10) . . ?
O1_5 Al1 O1_4 109.63(10) . . ?
F1 Al1 O1_6 108.89(9) . . ?
O1_5 Al1 O1_6 110.04(9) . . ?
O1_4 Al1 O1_6 110.01(9) . . ?
F2 Al2 O1_14 114.1(6) . . ?
F2 Al2 O1_2 111.6(2) . . ?
F2 Al2 O1_3 109.70(10) . . ?
O1_14 Al2 O1_3 106.5(7) . . ?
O1_2 Al2 O1_3 107.6(2) . . ?
F2 Al2 O1_15 101.9(10) . . ?
O1_14 Al2 O1_15 111.7(13) . . ?
O1_3 Al2 O1_15 113.1(10) . . ?
F2 Al2 O1_1 103.5(3) . . ?
O1_2 Al2 O1_1 112.3(5) . . ?
O1_3 Al2 O1_1 112.2(4) . . ?
Al1 F1 Li1 153.19(17) . . ?
Al2 F2 Li2 163.95(18) . . ?
F1 Li1 O1_9 111.0(2) . . ?
F1 Li1 O1_10 108.1(2) . . ?
O1_9 Li1 O1_10 105.3(2) . . ?
F1 Li1 O1_12 111.2(2) . . ?
O1_9 Li1 O1_12 119.3(2) . . ?
O1_10 Li1 O1_12 100.7(2) . . ?
F1 Li1 O1_13 102.3(2) . . ?
O1_9 Li1 O1_13 97.8(3) . . ?
O1_10 Li1 O1_13 131.4(3) . . ?
O1_17 Li2 F2 122.3(7) . . ?
F2 Li2 O1_11 111.7(3) . . ?
O1_17 Li2 O1_8 115.9(7) . . ?
F2 Li2 O1_8 109.2(3) . . ?
O1_11 Li2 O1_8 113.7(3) . . ?
F2 Li2 O1_7 111.0(3) . . ?
O1_11 Li2 O1_7 104.4(3) . . ?
O1_8 Li2 O1_7 106.6(3) . . ?
O1_17 Li2 O1_16 104.6(9) . . ?
F2 Li2 O1_16 99.7(5) . . ?
O1_8 Li2 O1_16 101.2(6) . . ?
O1_17 Li2 C1_17 25.2(7) . . ?
F2 Li2 C1_17 112.4(15) . . ?
O1_8 Li2 C1_17 103.2(12) . . ?
O1_16 Li2 C1_17 129.7(8) . . ?

_refine_diff_density_max         0.644
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.055


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Difluorobenzen2/CH2Cl2/Cl3CCN'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c_ende_a
_database_code_depnum_ccdc_archive 'CCDC 1845815'
_audit_update_record             
;
2018-05-28 deposited with the CCDC.
2018-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H10 Ag B F22 O2'
_chemical_formula_sum            'C20 H10 Ag B F22 O2'
_chemical_formula_weight         818.96

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'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   34.3712(10)
_cell_length_b                   10.6465(3)
_cell_length_c                   13.7845(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.4520(10)
_cell_angle_gamma                90
_cell_volume                     4960.5(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9041
_cell_measurement_theta_min      2.410
_cell_measurement_theta_max      31.676

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.193
_exptl_crystal_F_000             3168
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    1.000
_shelx_estimated_absorpt_T_min   0.690
_shelx_estimated_absorpt_T_max   0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6502
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'INCOATEC Mo Microsource'
_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            123649
_diffrn_reflns_av_unetI/netI     0.0132
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.205
_diffrn_reflns_theta_max         32.351
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.855
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.855
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             15178
_reflns_number_gt                13787
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 v2014.11-0'
_computing_cell_refinement       'SAINT V8.37A'
_computing_data_reduction        'SAINT V8.37A'
_computing_structure_solution    'SHELXT-2014/5, Sheldrick, 2014'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ShelXle-850
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0150P)²+5.4606P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15178
_refine_ls_number_parameters     893
_refine_ls_number_restraints     3333
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0265
_refine_ls_wR_factor_ref         0.0581
_refine_ls_wR_factor_gt          0.0568
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
F1_10 F 0.96867(9) -0.0861(4) 0.9515(3) 0.0485(12) Uani 0.389(4) 1 d D U P A 2
C1_10 C 0.9299(4) -0.1178(13) 0.9204(14) 0.028(2) Uani 0.389(4) 1 d D U P A 2
C2_10 C 0.9064(6) -0.015(2) 0.919(2) 0.021(3) Uani 0.389(4) 1 d D U P A 2
H2_10 H 0.9176 0.0648 0.9370 0.026 Uiso 0.389(4) 1 calc R U P A 2
C3_10 C 0.8668(6) -0.0288(17) 0.892(2) 0.018(2) Uani 0.389(4) 1 d . U P A 2
H3_10 H 0.8502 0.0423 0.8934 0.022 Uiso 0.389(4) 1 calc R U P A 2
C4_10 C 0.8496(6) -0.1463(14) 0.8619(18) 0.021(2) Uani 0.389(4) 1 d . U P A 2
H4_10 H 0.8219 -0.1565 0.8409 0.025 Uiso 0.389(4) 1 calc R U P A 2
C5_10 C 0.8755(4) -0.2445(15) 0.8651(14) 0.026(2) Uani 0.389(4) 1 d . U P A 2
H5_10 H 0.8653 -0.3257 0.8463 0.031 Uiso 0.389(4) 1 calc R U P A 2
C6_10 C 0.9152(4) -0.2306(14) 0.8940(13) 0.027(2) Uani 0.389(4) 1 d D U P A 2
H6_10 H 0.9323 -0.3009 0.8954 0.033 Uiso 0.389(4) 1 calc R U P A 2
F1_9 F 0.94960(6) -0.31231(18) 0.91869(14) 0.0318(6) Uani 0.611(4) 1 d D U P A
1
C1_9 C 0.9228(2) -0.2216(8) 0.9080(7) 0.0158(11) Uani 0.611(4) 1 d D U P A 1
C2_9 C 0.9326(2) -0.0970(7) 0.9297(8) 0.0166(12) Uani 0.611(4) 1 d D U P A 1
H2_9 H 0.9595 -0.0736 0.9507 0.020 Uiso 0.611(4) 1 calc R U P A 1
C3_9 C 0.9027(4) -0.0057(14) 0.9205(14) 0.0182(16) Uani 0.611(4) 1 d . U P A 1
H3_9 H 0.9091 0.0797 0.9357 0.022 Uiso 0.611(4) 1 calc R U P A 1
C4_9 C 0.8624(3) -0.0426(12) 0.8881(13) 0.0210(18) Uani 0.611(4) 1 d . U P A 1
H4_9 H 0.8416 0.0170 0.8829 0.025 Uiso 0.611(4) 1 calc R U P A 1
C5_9 C 0.8545(3) -0.1696(9) 0.8639(11) 0.0214(15) Uani 0.611(4) 1 d . U P A 1
H5_9 H 0.8280 -0.1943 0.8400 0.026 Uiso 0.611(4) 1 calc R U P A 1
C6_9 C 0.8840(2) -0.2602(9) 0.8734(8) 0.0172(11) Uani 0.611(4) 1 d D U P A 1
H6_9 H 0.8779 -0.3455 0.8570 0.021 Uiso 0.611(4) 1 calc R U P A 1
F1_8 F 0.54947(3) 0.21245(10) 0.56224(8) 0.0229(2) Uani 1 1 d D U . . .
C1_8 C 0.58319(5) 0.27991(15) 0.58332(11) 0.0144(3) Uani 1 1 d D U . . .
C2_8 C 0.58246(5) 0.40339(15) 0.55359(11) 0.0175(3) Uani 1 1 d D U . . .
H2_8 H 0.5586 0.4409 0.5208 0.021 Uiso 1 1 calc R U . . .
C3_8 C 0.61772(5) 0.47257(15) 0.57274(12) 0.0189(3) Uani 1 1 d . U . . .
H3_8 H 0.6181 0.5576 0.5520 0.023 Uiso 1 1 calc R U . . .
C4_8 C 0.65241(5) 0.41573(16) 0.62263(12) 0.0183(3) Uani 1 1 d . U . . .
H4_8 H 0.6764 0.4620 0.6357 0.022 Uiso 1 1 calc R U . . .
C5_8 C 0.65154(5) 0.29050(15) 0.65311(12) 0.0170(3) Uani 1 1 d . U . . .
H5_8 H 0.6750 0.2525 0.6881 0.020 Uiso 1 1 calc R U . . .
C6_8 C 0.61689(5) 0.22146(14) 0.63282(11) 0.0146(3) Uani 1 1 d D U . . .
H6_8 H 0.6163 0.1360 0.6524 0.018 Uiso 1 1 calc R U . . .
F1_7 F 0.70249(3) 0.23622(12) 0.95118(8) 0.0317(3) Uani 1 1 d D U . . .
C1_7 C 0.66795(5) 0.29845(16) 0.92764(11) 0.0169(3) Uani 1 1 d D U . . .
C2_7 C 0.66726(6) 0.42436(17) 0.94951(12) 0.0234(3) Uani 1 1 d D U . . .
H2_7 H 0.6907 0.4670 0.9789 0.028 Uiso 1 1 calc R U . . .
C3_7 C 0.63118(7) 0.48797(16) 0.92745(12) 0.0274(4) Uani 1 1 d . U . . .
H3_7 H 0.6298 0.5746 0.9430 0.033 Uiso 1 1 calc R U . . .
C4_7 C 0.59727(6) 0.42410(19) 0.88259(13) 0.0260(4) Uani 1 1 d . U . . .
H4_7 H 0.5727 0.4671 0.8672 0.031 Uiso 1 1 calc R U . . .
C5_7 C 0.59947(5) 0.29688(18) 0.86034(12) 0.0211(3) Uani 1 1 d . U . . .
H5_7 H 0.5764 0.2537 0.8289 0.025 Uiso 1 1 calc R U . . .
C6_7 C 0.63490(5) 0.23329(15) 0.88364(11) 0.0166(3) Uani 1 1 d D U . . .
H6_7 H 0.6364 0.1463 0.8696 0.020 Uiso 1 1 calc R U . . .
F1_5 F 0.79702(3) -0.29198(10) 0.56458(9) 0.0279(2) Uani 1 1 d D U . . .
C1_5 C 0.83036(5) -0.22292(15) 0.57678(12) 0.0171(3) Uani 1 1 d D U . . .
C2_5 C 0.82780(5) -0.10053(15) 0.54350(12) 0.0175(3) Uani 1 1 d D U . . .
H2_5 H 0.8031 -0.0653 0.5140 0.021 Uiso 1 1 calc R U . . .
C3_5 C 0.86259(5) -0.02953(15) 0.55427(11) 0.0171(3) Uani 1 1 d . U . . .
H3_5 H 0.8618 0.0547 0.5313 0.020 Uiso 1 1 calc R U . . .
C4_5 C 0.89869(5) -0.08309(15) 0.59908(12) 0.0173(3) Uani 1 1 d . U . . .
H4_5 H 0.9224 -0.0353 0.6064 0.021 Uiso 1 1 calc R U . . .
C5_5 C 0.89966(5) -0.20768(16) 0.63307(12) 0.0181(3) Uani 1 1 d . U . . .
H5_5 H 0.9241 -0.2436 0.6641 0.022 Uiso 1 1 calc R U . . .
C6_5 C 0.86542(5) -0.27857(15) 0.62182(12) 0.0179(3) Uani 1 1 d D U . . .
H6_5 H 0.8659 -0.3630 0.6443 0.022 Uiso 1 1 calc R U . . .
O1_4 O 0.58978(3) 0.75168(10) 0.75010(8) 0.0124(2) Uani 1 1 d D U . . .
C1_4 C 0.55076(4) 0.78853(13) 0.72334(10) 0.0111(3) Uani 1 1 d D U . . .
C2_4 C 0.53106(5) 0.67932(14) 0.65641(11) 0.0152(3) Uani 1 1 d D U . . .
F1_4 F 0.54386(3) 0.68012(10) 0.57094(7) 0.0218(2) Uani 1 1 d D U . . .
F2_4 F 0.49169(3) 0.68406(10) 0.63698(8) 0.0231(2) Uani 1 1 d D U . . .
F3_4 F 0.54083(3) 0.56846(9) 0.69935(7) 0.01825(19) Uani 1 1 d D U . . .
C3_4 C 0.52968(5) 0.80160(14) 0.81359(11) 0.0154(3) Uani 1 1 d D U . . .
F4_4 F 0.54655(3) 0.88867(10) 0.87625(7) 0.0217(2) Uani 1 1 d D U . . .
F5_4 F 0.53075(3) 0.69333(9) 0.86197(7) 0.0222(2) Uani 1 1 d D U . . .
F6_4 F 0.49171(3) 0.83481(10) 0.78526(8) 0.0233(2) Uani 1 1 d D U . . .
C4_4 C 0.54562(5) 0.91235(15) 0.66097(12) 0.0168(3) Uani 1 1 d D U . . .
F7_4 F 0.54855(3) 1.01481(9) 0.71735(8) 0.0219(2) Uani 1 1 d D U . . .
F8_4 F 0.51021(3) 0.91628(10) 0.60205(8) 0.0261(2) Uani 1 1 d D U . . .
F9_4 F 0.57302(3) 0.91909(10) 0.60451(8) 0.0232(2) Uani 1 1 d D U . . .
O1_3 O 0.65759(3) 0.75039(10) 0.79597(9) 0.0161(2) Uani 1 1 d D U . . .
C1_3 C 0.69415(4) 0.79551(14) 0.78590(11) 0.0137(3) Uani 1 1 d D U . . .
C2_3 C 0.72379(5) 0.68980(16) 0.82750(14) 0.0216(3) Uani 1 1 d D U . . .
F1_3 F 0.72889(4) 0.68667(11) 0.92511(9) 0.0337(3) Uani 1 1 d D U . . .
F2_3 F 0.75893(3) 0.70397(11) 0.80099(11) 0.0402(3) Uani 1 1 d D U . . .
F3_3 F 0.71004(3) 0.57728(9) 0.79461(8) 0.0238(2) Uani 1 1 d D U . . .
C3_3 C 0.69421(6) 0.81647(17) 0.67463(13) 0.0262(4) Uani 1 1 d D U . . .
F4_3 F 0.66311(4) 0.88516(12) 0.63433(9) 0.0384(3) Uani 1 1 d D U . . .
F5_3 F 0.69185(4) 0.70620(11) 0.62730(8) 0.0373(3) Uani 1 1 d D U . . .
F6_3 F 0.72685(4) 0.87424(12) 0.65880(9) 0.0403(3) Uani 1 1 d D U . . .
C4_3 C 0.70756(5) 0.91949(15) 0.84409(12) 0.0174(3) Uani 1 1 d D U . . .
F7_3 F 0.69508(3) 1.02184(9) 0.79220(8) 0.0242(2) Uani 1 1 d D U . . .
F8_3 F 0.74709(3) 0.92647(10) 0.86584(9) 0.0266(2) Uani 1 1 d D U . . .
F9_3 F 0.69414(3) 0.92279(10) 0.92827(8) 0.0233(2) Uani 1 1 d D U . . .
O1_2 O 0.90666(3) 0.25312(10) 0.77783(8) 0.0128(2) Uani 1 1 d D U . . .
C1_2 C 0.94230(4) 0.30799(14) 0.77127(11) 0.0132(3) Uani 1 1 d D U . . .
C2_2 C 0.96578(5) 0.20422(16) 0.72662(13) 0.0195(3) Uani 1 1 d D U . . .
F1_2 F 0.96286(3) 0.09402(10) 0.77055(8) 0.0244(2) Uani 1 1 d D U . . .
F2_2 F 1.00407(3) 0.23081(11) 0.73490(9) 0.0302(3) Uani 1 1 d D U . . .
F3_2 F 0.95058(3) 0.18848(10) 0.63114(8) 0.0255(2) Uani 1 1 d D U . . .
C3_2 C 0.93789(5) 0.42347(15) 0.70017(12) 0.0181(3) Uani 1 1 d D U . . .
F4_2 F 0.93453(3) 0.53139(9) 0.74697(8) 0.0236(2) Uani 1 1 d D U . . .
F5_2 F 0.90597(3) 0.40980(10) 0.63050(7) 0.0226(2) Uani 1 1 d D U . . .
F6_2 F 0.96922(3) 0.43555(11) 0.65528(8) 0.0272(2) Uani 1 1 d D U . . .
C4_2 C 0.96601(5) 0.34639(17) 0.87396(12) 0.0203(3) Uani 1 1 d D U . . .
F7_2 F 0.94429(3) 0.41601(10) 0.92364(7) 0.0237(2) Uani 1 1 d D U . . .
F8_2 F 0.99839(3) 0.41207(12) 0.86587(9) 0.0306(3) Uani 1 1 d D U . . .
F9_2 F 0.97723(4) 0.24439(12) 0.92802(8) 0.0323(3) Uani 1 1 d D U . . .
O1_1 O 0.83898(3) 0.24288(10) 0.74927(8) 0.01182(19) Uani 1 1 d D U . . .
C1_1 C 0.79967(4) 0.27742(13) 0.72572(11) 0.0113(3) Uani 1 1 d D U . . .
C2_1 C 0.77917(4) 0.16470(14) 0.66489(11) 0.0139(3) Uani 1 1 d D U . . .
F1_1 F 0.78887(3) 0.16275(10) 0.57567(7) 0.01967(19) Uani 1 1 d D U . . .
F2_1 F 0.73990(3) 0.16717(10) 0.65353(8) 0.0206(2) Uani 1 1 d D U . . .
F3_1 F 0.79121(3) 0.05591(8) 0.70882(7) 0.01755(19) Uani 1 1 d D U . . .
C3_1 C 0.78055(4) 0.29692(14) 0.81853(11) 0.0142(3) Uani 1 1 d D U . . .
F4_1 F 0.80008(3) 0.38153(9) 0.87942(7) 0.01917(19) Uani 1 1 d D U . . .
F5_1 F 0.78050(3) 0.18960(9) 0.86811(7) 0.0202(2) Uani 1 1 d D U . . .
F6_1 F 0.74320(3) 0.33647(10) 0.79372(7) 0.0203(2) Uani 1 1 d D U . . .
C4_1 C 0.79327(5) 0.39817(15) 0.65929(12) 0.0158(3) Uani 1 1 d D U . . .
F7_1 F 0.79632(3) 0.50304(9) 0.71241(8) 0.0210(2) Uani 1 1 d D U . . .
F8_1 F 0.75719(3) 0.39830(10) 0.60288(8) 0.0239(2) Uani 1 1 d D U . . .
F9_1 F 0.81969(3) 0.40277(10) 0.60028(7) 0.0220(2) Uani 1 1 d D U . . .
Ag01 Ag 0.62509(2) 0.53648(2) 0.74811(2) 0.01389(3) Uani 1 1 d . . . . .
B1 B 0.87209(5) 0.31063(15) 0.81291(12) 0.0120(3) Uani 1 1 d . . . . .
Ag02 Ag 0.87675(2) 0.03641(2) 0.73060(2) 0.01458(3) Uani 1 1 d . . . . .
B2 B 0.62206(5) 0.81776(16) 0.81821(13) 0.0138(3) Uani 1 1 d . . . . .
F005 F 0.87354(3) 0.27740(9) 0.91039(7) 0.01662(18) Uani 1 1 d . . . . .
F007 F 0.86996(3) 0.43835(8) 0.80018(7) 0.01574(18) Uani 1 1 d . . . . .
F009 F 0.62240(3) 0.94426(8) 0.79927(8) 0.01928(19) Uani 1 1 d . . . . .
F00M F 0.61931(3) 0.79358(9) 0.91508(7) 0.0200(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
F1_10 C1_10 1.365(12) . ?
C1_10 C6_10 1.327(15) . ?
C1_10 C2_10 1.36(2) . ?
C2_10 C3_10 1.35(3) . ?
C2_10 Ag02 2.67(3) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.41(2) . ?
C3_10 Ag02 2.41(3) . ?
C3_10 H3_10 0.9500 . ?
C4_10 C5_10 1.370(13) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.359(15) . ?
C5_10 H5_10 0.9500 . ?
C6_10 H6_10 0.9500 . ?
F1_9 C1_9 1.325(9) . ?
C1_9 C2_9 1.388(8) . ?
C1_9 C6_9 1.394(8) . ?
C2_9 C3_9 1.405(12) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.430(16) . ?
C3_9 Ag02 2.646(18) . ?
C3_9 H3_9 0.9500 . ?
C4_9 C5_9 1.407(13) . ?
C4_9 Ag02 2.459(18) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.387(8) . ?
C5_9 H5_9 0.9500 . ?
C6_9 H6_9 0.9500 . ?
F1_8 C1_8 1.3495(18) . ?
C1_8 C2_8 1.376(2) . ?
C1_8 C6_8 1.381(2) . ?
C2_8 C3_8 1.402(2) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.401(2) . ?
C3_8 Ag01 2.4796(15) . ?
C3_8 H3_8 0.9500 . ?
C4_8 C5_8 1.400(2) . ?
C4_8 Ag01 2.4731(15) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.384(2) . ?
C5_8 H5_8 0.9500 . ?
C6_8 H6_8 0.9500 . ?
F1_7 C1_7 1.3468(19) . ?
C1_7 C6_7 1.374(2) . ?
C1_7 C2_7 1.375(2) . ?
C2_7 C3_7 1.397(3) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.394(3) . ?
C3_7 Ag01 2.4967(16) . ?
C3_7 H3_7 0.9500 . ?
C4_7 C5_7 1.394(3) . ?
C4_7 Ag01 2.5348(17) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.379(2) . ?
C5_7 H5_7 0.9500 . ?
C6_7 H6_7 0.9500 . ?
F1_5 C1_5 1.3462(19) . ?
C1_5 C2_5 1.379(2) . ?
C1_5 C6_5 1.385(2) . ?
C2_5 C3_5 1.399(2) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.403(2) . ?
C3_5 Ag02 2.4917(15) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.405(2) . ?
C4_5 Ag02 2.4436(15) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.383(2) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
O1_4 C1_4 1.3817(17) . ?
O1_4 B2 1.493(2) . ?
O1_4 Ag01 2.5951(10) . ?
C1_4 C3_4 1.555(2) . ?
C1_4 C2_4 1.560(2) . ?
C1_4 C4_4 1.566(2) . ?
C2_4 F1_4 1.3303(18) . ?
C2_4 F2_4 1.3319(18) . ?
C2_4 F3_4 1.3357(18) . ?
C3_4 F4_4 1.3265(18) . ?
C3_4 F5_4 1.3289(18) . ?
C3_4 F6_4 1.3400(18) . ?
C4_4 F9_4 1.3281(18) . ?
C4_4 F7_4 1.3326(18) . ?
C4_4 F8_4 1.3356(19) . ?
O1_3 C1_3 1.3757(18) . ?
O1_3 B2 1.495(2) . ?
O1_3 Ag01 2.5695(11) . ?
C1_3 C3_3 1.550(2) . ?
C1_3 C2_3 1.556(2) . ?
C1_3 C4_3 1.570(2) . ?
C2_3 F1_3 1.325(2) . ?
C2_3 F2_3 1.332(2) . ?
C2_3 F3_3 1.3366(19) . ?
C3_3 F4_3 1.331(2) . ?
C3_3 F6_3 1.332(2) . ?
C3_3 F5_3 1.338(2) . ?
C4_3 F9_3 1.3245(19) . ?
C4_3 F7_3 1.3310(19) . ?
C4_3 F8_3 1.3394(18) . ?
O1_2 C1_2 1.3749(17) . ?
O1_2 B1 1.4930(18) . ?
O1_2 Ag02 2.5615(10) . ?
C1_2 C4_2 1.554(2) . ?
C1_2 C2_2 1.559(2) . ?
C1_2 C3_2 1.562(2) . ?
C2_2 F2_2 1.3306(18) . ?
C2_2 F1_2 1.3324(19) . ?
C2_2 F3_2 1.336(2) . ?
C3_2 F5_2 1.3286(19) . ?
C3_2 F4_2 1.3330(19) . ?
C3_2 F6_2 1.3417(18) . ?
C4_2 F7_2 1.327(2) . ?
C4_2 F9_2 1.334(2) . ?
C4_2 F8_2 1.3361(19) . ?
O1_1 C1_1 1.3809(17) . ?
O1_1 B1 1.4908(19) . ?
O1_1 Ag02 2.5893(10) . ?
C1_1 C3_1 1.555(2) . ?
C1_1 C2_1 1.557(2) . ?
C1_1 C4_1 1.570(2) . ?
C2_1 F2_1 1.3306(17) . ?
C2_1 F1_1 1.3316(17) . ?
C2_1 F3_1 1.3374(18) . ?
C3_1 F4_1 1.3275(18) . ?
C3_1 F5_1 1.3316(17) . ?
C3_1 F6_1 1.3351(17) . ?
C4_1 F9_1 1.3254(17) . ?
C4_1 F7_1 1.3289(18) . ?
C4_1 F8_1 1.3390(18) . ?
B1 F007 1.3713(18) . ?
B1 F005 1.3816(19) . ?
B2 F009 1.3723(19) . ?
B2 F00M 1.380(2) . ?

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
C6_10 C1_10 C2_10 121.8(15) . . ?
C6_10 C1_10 F1_10 127.6(12) . . ?
C2_10 C1_10 F1_10 110.5(12) . . ?
C3_10 C2_10 C1_10 119(2) . . ?
C3_10 C2_10 Ag02 64.3(15) . . ?
C1_10 C2_10 Ag02 107.4(17) . . ?
C3_10 C2_10 H2_10 120.4 . . ?
C1_10 C2_10 H2_10 120.4 . . ?
Ag02 C2_10 H2_10 97.6 . . ?
C2_10 C3_10 C4_10 121(2) . . ?
C2_10 C3_10 Ag02 85.4(17) . . ?
C4_10 C3_10 Ag02 96.0(15) . . ?
C2_10 C3_10 H3_10 119.3 . . ?
C4_10 C3_10 H3_10 119.3 . . ?
Ag02 C3_10 H3_10 88.6 . . ?
C5_10 C4_10 C3_10 115.5(18) . . ?
C5_10 C4_10 H4_10 122.2 . . ?
C3_10 C4_10 H4_10 122.2 . . ?
C6_10 C5_10 C4_10 122.6(15) . . ?
C6_10 C5_10 H5_10 118.7 . . ?
C4_10 C5_10 H5_10 118.7 . . ?
C1_10 C6_10 C5_10 119.4(14) . . ?
C1_10 C6_10 H6_10 120.3 . . ?
C5_10 C6_10 H6_10 120.3 . . ?
F1_9 C1_9 C2_9 122.3(6) . . ?
F1_9 C1_9 C6_9 115.2(6) . . ?
C2_9 C1_9 C6_9 122.4(8) . . ?
C1_9 C2_9 C3_9 119.7(9) . . ?
C1_9 C2_9 H2_9 120.2 . . ?
C3_9 C2_9 H2_9 120.2 . . ?
C2_9 C3_9 C4_9 119.4(12) . . ?
C2_9 C3_9 Ag02 108.4(10) . . ?
C4_9 C3_9 Ag02 66.7(9) . . ?
C2_9 C3_9 H3_9 120.3 . . ?
C4_9 C3_9 H3_9 120.3 . . ?
Ag02 C3_9 H3_9 94.6 . . ?
C5_9 C4_9 C3_9 118.1(12) . . ?
C5_9 C4_9 Ag02 100.4(10) . . ?
C3_9 C4_9 Ag02 81.1(9) . . ?
C5_9 C4_9 H4_9 120.9 . . ?
C3_9 C4_9 H4_9 120.9 . . ?
Ag02 C4_9 H4_9 88.6 . . ?
C6_9 C5_9 C4_9 122.7(10) . . ?
C6_9 C5_9 H5_9 118.6 . . ?
C4_9 C5_9 H5_9 118.6 . . ?
C5_9 C6_9 C1_9 117.6(8) . . ?
C5_9 C6_9 H6_9 121.2 . . ?
C1_9 C6_9 H6_9 121.2 . . ?
F1_8 C1_8 C2_8 118.41(15) . . ?
F1_8 C1_8 C6_8 118.50(14) . . ?
C2_8 C1_8 C6_8 123.09(15) . . ?
C1_8 C2_8 C3_8 118.53(15) . . ?
C1_8 C2_8 H2_8 120.7 . . ?
C3_8 C2_8 H2_8 120.7 . . ?
C4_8 C3_8 C2_8 119.68(15) . . ?
C4_8 C3_8 Ag01 73.31(9) . . ?
C2_8 C3_8 Ag01 105.05(10) . . ?
C4_8 C3_8 H3_8 120.2 . . ?
C2_8 C3_8 H3_8 120.2 . . ?
Ag01 C3_8 H3_8 91.6 . . ?
C5_8 C4_8 C3_8 119.73(15) . . ?
C5_8 C4_8 Ag01 104.69(10) . . ?
C3_8 C4_8 Ag01 73.82(9) . . ?
C5_8 C4_8 H4_8 120.1 . . ?
C3_8 C4_8 H4_8 120.1 . . ?
Ag01 C4_8 H4_8 91.4 . . ?
C6_8 C5_8 C4_8 120.65(15) . . ?
C6_8 C5_8 H5_8 119.7 . . ?
C4_8 C5_8 H5_8 119.7 . . ?
C1_8 C6_8 C5_8 118.31(14) . . ?
C1_8 C6_8 H6_8 120.8 . . ?
C5_8 C6_8 H6_8 120.8 . . ?
F1_7 C1_7 C6_7 118.67(15) . . ?
F1_7 C1_7 C2_7 118.44(16) . . ?
C6_7 C1_7 C2_7 122.89(16) . . ?
C1_7 C2_7 C3_7 118.34(17) . . ?
C1_7 C2_7 H2_7 120.8 . . ?
C3_7 C2_7 H2_7 120.8 . . ?
C4_7 C3_7 C2_7 119.86(16) . . ?
C4_7 C3_7 Ag01 75.43(10) . . ?
C2_7 C3_7 Ag01 103.15(11) . . ?
C4_7 C3_7 H3_7 120.1 . . ?
C2_7 C3_7 H3_7 120.1 . . ?
Ag01 C3_7 H3_7 91.4 . . ?
C3_7 C4_7 C5_7 119.83(17) . . ?
C3_7 C4_7 Ag01 72.42(10) . . ?
C5_7 C4_7 Ag01 104.77(11) . . ?
C3_7 C4_7 H4_7 120.1 . . ?
C5_7 C4_7 H4_7 120.1 . . ?
Ag01 C4_7 H4_7 92.7 . . ?
C6_7 C5_7 C4_7 120.44(17) . . ?
C6_7 C5_7 H5_7 119.8 . . ?
C4_7 C5_7 H5_7 119.8 . . ?
C1_7 C6_7 C5_7 118.62(15) . . ?
C1_7 C6_7 H6_7 120.7 . . ?
C5_7 C6_7 H6_7 120.7 . . ?
F1_5 C1_5 C2_5 118.24(15) . . ?
F1_5 C1_5 C6_5 118.30(14) . . ?
C2_5 C1_5 C6_5 123.46(16) . . ?
C1_5 C2_5 C3_5 118.26(15) . . ?
C1_5 C2_5 H2_5 120.9 . . ?
C3_5 C2_5 H2_5 120.9 . . ?
C2_5 C3_5 C4_5 119.84(15) . . ?
C2_5 C3_5 Ag02 105.53(10) . . ?
C4_5 C3_5 Ag02 71.61(9) . . ?
C2_5 C3_5 H3_5 120.1 . . ?
C4_5 C3_5 H3_5 120.1 . . ?
Ag02 C3_5 H3_5 92.7 . . ?
C3_5 C4_5 C5_5 119.74(15) . . ?
C3_5 C4_5 Ag02 75.38(9) . . ?
C5_5 C4_5 Ag02 103.64(10) . . ?
C3_5 C4_5 H4_5 120.1 . . ?
C5_5 C4_5 H4_5 120.1 . . ?
Ag02 C4_5 H4_5 90.9 . . ?
C6_5 C5_5 C4_5 120.63(15) . . ?
C6_5 C5_5 H5_5 119.7 . . ?
C4_5 C5_5 H5_5 119.7 . . ?
C5_5 C6_5 C1_5 118.06(15) . . ?
C5_5 C6_5 H6_5 121.0 . . ?
C1_5 C6_5 H6_5 121.0 . . ?
C1_4 O1_4 B2 127.49(11) . . ?
C1_4 O1_4 Ag01 132.92(8) . . ?
B2 O1_4 Ag01 97.30(8) . . ?
O1_4 C1_4 C3_4 112.48(12) . . ?
O1_4 C1_4 C2_4 104.03(11) . . ?
C3_4 C1_4 C2_4 108.93(12) . . ?
O1_4 C1_4 C4_4 113.14(12) . . ?
C3_4 C1_4 C4_4 109.95(12) . . ?
C2_4 C1_4 C4_4 107.99(12) . . ?
F1_4 C2_4 F2_4 107.99(13) . . ?
F1_4 C2_4 F3_4 107.53(12) . . ?
F2_4 C2_4 F3_4 106.68(13) . . ?
F1_4 C2_4 C1_4 109.95(12) . . ?
F2_4 C2_4 C1_4 114.00(12) . . ?
F3_4 C2_4 C1_4 110.44(12) . . ?
F4_4 C3_4 F5_4 108.09(13) . . ?
F4_4 C3_4 F6_4 107.03(12) . . ?
F5_4 C3_4 F6_4 108.17(13) . . ?
F4_4 C3_4 C1_4 111.80(12) . . ?
F5_4 C3_4 C1_4 110.45(12) . . ?
F6_4 C3_4 C1_4 111.15(13) . . ?
F9_4 C4_4 F7_4 108.11(13) . . ?
F9_4 C4_4 F8_4 107.87(13) . . ?
F7_4 C4_4 F8_4 107.04(13) . . ?
F9_4 C4_4 C1_4 110.22(12) . . ?
F7_4 C4_4 C1_4 112.33(12) . . ?
F8_4 C4_4 C1_4 111.10(13) . . ?
C1_3 O1_3 B2 130.40(12) . . ?
C1_3 O1_3 Ag01 130.25(9) . . ?
B2 O1_3 Ag01 98.32(8) . . ?
O1_3 C1_3 C3_3 108.38(13) . . ?
O1_3 C1_3 C2_3 105.03(12) . . ?
C3_3 C1_3 C2_3 110.51(14) . . ?
O1_3 C1_3 C4_3 115.52(12) . . ?
C3_3 C1_3 C4_3 109.37(13) . . ?
C2_3 C1_3 C4_3 107.94(13) . . ?
F1_3 C2_3 F2_3 108.78(15) . . ?
F1_3 C2_3 F3_3 107.17(15) . . ?
F2_3 C2_3 F3_3 106.92(14) . . ?
F1_3 C2_3 C1_3 110.45(14) . . ?
F2_3 C2_3 C1_3 112.49(15) . . ?
F3_3 C2_3 C1_3 110.83(13) . . ?
F4_3 C3_3 F6_3 108.33(15) . . ?
F4_3 C3_3 F5_3 107.78(16) . . ?
F6_3 C3_3 F5_3 107.68(15) . . ?
F4_3 C3_3 C1_3 110.30(15) . . ?
F6_3 C3_3 C1_3 112.40(15) . . ?
F5_3 C3_3 C1_3 110.20(14) . . ?
F9_3 C4_3 F7_3 108.64(13) . . ?
F9_3 C4_3 F8_3 107.62(13) . . ?
F7_3 C4_3 F8_3 106.84(13) . . ?
F9_3 C4_3 C1_3 110.70(13) . . ?
F7_3 C4_3 C1_3 112.19(13) . . ?
F8_3 C4_3 C1_3 110.66(13) . . ?
C1_2 O1_2 B1 128.18(12) . . ?
C1_2 O1_2 Ag02 133.42(9) . . ?
B1 O1_2 Ag02 98.36(8) . . ?
O1_2 C1_2 C4_2 112.20(12) . . ?
O1_2 C1_2 C2_2 104.84(12) . . ?
C4_2 C1_2 C2_2 108.81(13) . . ?
O1_2 C1_2 C3_2 112.92(12) . . ?
C4_2 C1_2 C3_2 109.84(13) . . ?
C2_2 C1_2 C3_2 107.95(12) . . ?
F2_2 C2_2 F1_2 107.64(14) . . ?
F2_2 C2_2 F3_2 108.38(13) . . ?
F1_2 C2_2 F3_2 106.81(14) . . ?
F2_2 C2_2 C1_2 112.96(14) . . ?
F1_2 C2_2 C1_2 110.96(13) . . ?
F3_2 C2_2 C1_2 109.87(13) . . ?
F5_2 C3_2 F4_2 108.14(13) . . ?
F5_2 C3_2 F6_2 107.68(13) . . ?
F4_2 C3_2 F6_2 106.73(13) . . ?
F5_2 C3_2 C1_2 109.91(13) . . ?
F4_2 C3_2 C1_2 112.44(13) . . ?
F6_2 C3_2 C1_2 111.72(13) . . ?
F7_2 C4_2 F9_2 107.41(14) . . ?
F7_2 C4_2 F8_2 107.80(14) . . ?
F9_2 C4_2 F8_2 108.17(14) . . ?
F7_2 C4_2 C1_2 111.46(13) . . ?
F9_2 C4_2 C1_2 110.20(14) . . ?
F8_2 C4_2 C1_2 111.63(13) . . ?
C1_1 O1_1 B1 128.27(11) . . ?
C1_1 O1_1 Ag02 133.59(9) . . ?
B1 O1_1 Ag02 97.25(8) . . ?
O1_1 C1_1 C3_1 112.57(12) . . ?
O1_1 C1_1 C2_1 104.43(11) . . ?
C3_1 C1_1 C2_1 109.17(12) . . ?
O1_1 C1_1 C4_1 112.49(12) . . ?
C3_1 C1_1 C4_1 109.58(12) . . ?
C2_1 C1_1 C4_1 108.36(12) . . ?
F2_1 C2_1 F1_1 108.08(12) . . ?
F2_1 C2_1 F3_1 107.12(12) . . ?
F1_1 C2_1 F3_1 107.21(12) . . ?
F2_1 C2_1 C1_1 113.48(12) . . ?
F1_1 C2_1 C1_1 110.16(12) . . ?
F3_1 C2_1 C1_1 110.54(12) . . ?
F4_1 C3_1 F5_1 107.78(13) . . ?
F4_1 C3_1 F6_1 107.48(12) . . ?
F5_1 C3_1 F6_1 108.15(12) . . ?
F4_1 C3_1 C1_1 111.72(12) . . ?
F5_1 C3_1 C1_1 110.36(12) . . ?
F6_1 C3_1 C1_1 111.20(12) . . ?
F9_1 C4_1 F7_1 108.23(13) . . ?
F9_1 C4_1 F8_1 108.00(13) . . ?
F7_1 C4_1 F8_1 106.93(12) . . ?
F9_1 C4_1 C1_1 110.43(12) . . ?
F7_1 C4_1 C1_1 112.20(12) . . ?
F8_1 C4_1 C1_1 110.89(12) . . ?
C4_8 Ag01 C3_8 32.87(6) . . ?
C4_8 Ag01 C3_7 127.64(6) . . ?
C3_8 Ag01 C3_7 152.11(6) . . ?
C4_8 Ag01 C4_7 120.51(6) . . ?
C3_8 Ag01 C4_7 126.73(6) . . ?
C3_7 Ag01 C4_7 32.15(7) . . ?
C4_8 Ag01 O1_3 115.96(5) . . ?
C3_8 Ag01 O1_3 117.14(5) . . ?
C3_7 Ag01 O1_3 88.55(5) . . ?
C4_7 Ag01 O1_3 115.77(5) . . ?
C4_8 Ag01 O1_4 134.74(5) . . ?
C3_8 Ag01 O1_4 106.69(5) . . ?
C3_7 Ag01 O1_4 97.33(5) . . ?
C4_7 Ag01 O1_4 99.78(5) . . ?
O1_3 Ag01 O1_4 52.92(3) . . ?
F007 B1 F005 111.72(13) . . ?
F007 B1 O1_1 112.77(13) . . ?
F005 B1 O1_1 109.73(12) . . ?
F007 B1 O1_2 113.10(12) . . ?
F005 B1 O1_2 108.63(12) . . ?
O1_1 B1 O1_2 100.28(11) . . ?
C3_10 Ag02 C4_5 130.5(5) . . ?
C4_5 Ag02 C4_9 127.9(3) . . ?
C3_10 Ag02 C3_5 141.5(4) . . ?
C4_5 Ag02 C3_5 33.02(5) . . ?
C4_9 Ag02 C3_5 136.8(3) . . ?
C3_10 Ag02 O1_2 98.2(4) . . ?
C4_5 Ag02 O1_2 119.60(5) . . ?
C4_9 Ag02 O1_2 102.7(3) . . ?
C3_5 Ag02 O1_2 120.01(4) . . ?
C3_10 Ag02 O1_1 89.7(5) . . ?
C4_5 Ag02 O1_1 138.03(5) . . ?
C4_9 Ag02 O1_1 91.0(3) . . ?
C3_5 Ag02 O1_1 108.87(4) . . ?
O1_2 Ag02 O1_1 52.80(3) . . ?
C4_5 Ag02 C3_9 123.5(2) . . ?
C4_9 Ag02 C3_9 32.3(4) . . ?
C3_5 Ag02 C3_9 152.7(3) . . ?
O1_2 Ag02 C3_9 81.6(3) . . ?
O1_1 Ag02 C3_9 97.5(3) . . ?
C3_10 Ag02 C2_10 30.3(6) . . ?
C4_5 Ag02 C2_10 120.0(4) . . ?
C3_5 Ag02 C2_10 149.7(5) . . ?
O1_2 Ag02 C2_10 82.7(5) . . ?
O1_1 Ag02 C2_10 100.9(4) . . ?
F009 B2 F00M 111.82(13) . . ?
F009 B2 O1_4 111.95(13) . . ?
F00M B2 O1_4 110.32(13) . . ?
F009 B2 O1_3 113.34(13) . . ?
F00M B2 O1_3 108.10(13) . . ?
O1_4 B2 O1_3 100.74(11) . . ?

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
C6_10 C1_10 C2_10 C3_10 1(4) . . . . ?
F1_10 C1_10 C2_10 C3_10 -179(2) . . . . ?
C6_10 C1_10 C2_10 Ag02 -69(2) . . . . ?
F1_10 C1_10 C2_10 Ag02 111.6(13) . . . . ?
C1_10 C2_10 C3_10 C4_10 -2(4) . . . . ?
Ag02 C2_10 C3_10 C4_10 94(2) . . . . ?
C1_10 C2_10 C3_10 Ag02 -96(2) . . . . ?
C2_10 C3_10 C4_10 C5_10 2(3) . . . . ?
Ag02 C3_10 C4_10 C5_10 90.2(16) . . . . ?
C3_10 C4_10 C5_10 C6_10 -1(3) . . . . ?
C2_10 C1_10 C6_10 C5_10 0(3) . . . . ?
F1_10 C1_10 C6_10 C5_10 179.8(16) . . . . ?
C4_10 C5_10 C6_10 C1_10 0(2) . . . . ?
F1_9 C1_9 C2_9 C3_9 -177.5(11) . . . . ?
C6_9 C1_9 C2_9 C3_9 2.4(15) . . . . ?
C1_9 C2_9 C3_9 C4_9 -1(2) . . . . ?
C1_9 C2_9 C3_9 Ag02 -73.5(12) . . . . ?
C2_9 C3_9 C4_9 C5_9 -2(2) . . . . ?
Ag02 C3_9 C4_9 C5_9 97.1(14) . . . . ?
C2_9 C3_9 C4_9 Ag02 -98.8(14) . . . . ?
C3_9 C4_9 C5_9 C6_9 2(2) . . . . ?
Ag02 C4_9 C5_9 C6_9 87.5(11) . . . . ?
C4_9 C5_9 C6_9 C1_9 -0.4(16) . . . . ?
F1_9 C1_9 C6_9 C5_9 178.0(8) . . . . ?
C2_9 C1_9 C6_9 C5_9 -2.0(13) . . . . ?
F1_8 C1_8 C2_8 C3_8 -178.09(13) . . . . ?
C6_8 C1_8 C2_8 C3_8 1.2(2) . . . . ?
C1_8 C2_8 C3_8 C4_8 -1.0(2) . . . . ?
C1_8 C2_8 C3_8 Ag01 -80.13(15) . . . . ?
C2_8 C3_8 C4_8 C5_8 -0.2(2) . . . . ?
Ag01 C3_8 C4_8 C5_8 97.95(14) . . . . ?
C2_8 C3_8 C4_8 Ag01 -98.12(14) . . . . ?
C3_8 C4_8 C5_8 C6_8 1.2(2) . . . . ?
Ag01 C4_8 C5_8 C6_8 80.75(15) . . . . ?
F1_8 C1_8 C6_8 C5_8 179.13(13) . . . . ?
C2_8 C1_8 C6_8 C5_8 -0.2(2) . . . . ?
C4_8 C5_8 C6_8 C1_8 -1.1(2) . . . . ?
F1_7 C1_7 C2_7 C3_7 -178.31(14) . . . . ?
C6_7 C1_7 C2_7 C3_7 1.1(2) . . . . ?
C1_7 C2_7 C3_7 C4_7 -1.3(2) . . . . ?
C1_7 C2_7 C3_7 Ag01 -81.84(16) . . . . ?
C2_7 C3_7 C4_7 C5_7 0.3(2) . . . . ?
Ag01 C3_7 C4_7 C5_7 97.28(15) . . . . ?
C2_7 C3_7 C4_7 Ag01 -97.00(15) . . . . ?
C3_7 C4_7 C5_7 C6_7 0.9(2) . . . . ?
Ag01 C4_7 C5_7 C6_7 78.83(16) . . . . ?
F1_7 C1_7 C6_7 C5_7 179.45(14) . . . . ?
C2_7 C1_7 C6_7 C5_7 0.0(2) . . . . ?
C4_7 C5_7 C6_7 C1_7 -1.0(2) . . . . ?
F1_5 C1_5 C2_5 C3_5 -178.67(14) . . . . ?
C6_5 C1_5 C2_5 C3_5 1.2(2) . . . . ?
C1_5 C2_5 C3_5 C4_5 -0.7(2) . . . . ?
C1_5 C2_5 C3_5 Ag02 -78.14(15) . . . . ?
C2_5 C3_5 C4_5 C5_5 -0.2(2) . . . . ?
Ag02 C3_5 C4_5 C5_5 97.57(14) . . . . ?
C2_5 C3_5 C4_5 Ag02 -97.73(14) . . . . ?
C3_5 C4_5 C5_5 C6_5 0.7(2) . . . . ?
Ag02 C4_5 C5_5 C6_5 81.48(16) . . . . ?
C4_5 C5_5 C6_5 C1_5 -0.4(2) . . . . ?
F1_5 C1_5 C6_5 C5_5 179.22(14) . . . . ?
C2_5 C1_5 C6_5 C5_5 -0.6(2) . . . . ?
B2 O1_4 C1_4 C3_4 -59.05(18) . . . . ?
Ag01 O1_4 C1_4 C3_4 99.67(13) . . . . ?
B2 O1_4 C1_4 C2_4 -176.78(13) . . . . ?
Ag01 O1_4 C1_4 C2_4 -18.06(16) . . . . ?
B2 O1_4 C1_4 C4_4 66.28(18) . . . . ?
Ag01 O1_4 C1_4 C4_4 -135.00(11) . . . . ?
O1_4 C1_4 C2_4 F1_4 -70.44(14) . . . . ?
C3_4 C1_4 C2_4 F1_4 169.41(12) . . . . ?
C4_4 C1_4 C2_4 F1_4 50.03(16) . . . . ?
O1_4 C1_4 C2_4 F2_4 168.15(12) . . . . ?
C3_4 C1_4 C2_4 F2_4 48.00(17) . . . . ?
C4_4 C1_4 C2_4 F2_4 -71.38(16) . . . . ?
O1_4 C1_4 C2_4 F3_4 48.07(15) . . . . ?
C3_4 C1_4 C2_4 F3_4 -72.09(15) . . . . ?
C4_4 C1_4 C2_4 F3_4 168.54(12) . . . . ?
O1_4 C1_4 C3_4 F4_4 61.77(16) . . . . ?
C2_4 C1_4 C3_4 F4_4 176.56(12) . . . . ?
C4_4 C1_4 C3_4 F4_4 -65.29(16) . . . . ?
O1_4 C1_4 C3_4 F5_4 -58.62(16) . . . . ?
C2_4 C1_4 C3_4 F5_4 56.17(16) . . . . ?
C4_4 C1_4 C3_4 F5_4 174.32(12) . . . . ?
O1_4 C1_4 C3_4 F6_4 -178.69(12) . . . . ?
C2_4 C1_4 C3_4 F6_4 -63.91(15) . . . . ?
C4_4 C1_4 C3_4 F6_4 54.25(16) . . . . ?
O1_4 C1_4 C4_4 F9_4 33.29(17) . . . . ?
C3_4 C1_4 C4_4 F9_4 159.98(13) . . . . ?
C2_4 C1_4 C4_4 F9_4 -81.29(15) . . . . ?
O1_4 C1_4 C4_4 F7_4 -87.33(15) . . . . ?
C3_4 C1_4 C4_4 F7_4 39.35(17) . . . . ?
C2_4 C1_4 C4_4 F7_4 158.09(12) . . . . ?
O1_4 C1_4 C4_4 F8_4 152.80(12) . . . . ?
C3_4 C1_4 C4_4 F8_4 -80.52(16) . . . . ?
C2_4 C1_4 C4_4 F8_4 38.22(16) . . . . ?
B2 O1_3 C1_3 C3_3 -96.13(18) . . . . ?
Ag01 O1_3 C1_3 C3_3 69.67(16) . . . . ?
B2 O1_3 C1_3 C2_3 145.74(15) . . . . ?
Ag01 O1_3 C1_3 C2_3 -48.46(16) . . . . ?
B2 O1_3 C1_3 C4_3 27.0(2) . . . . ?
Ag01 O1_3 C1_3 C4_3 -167.24(10) . . . . ?
O1_3 C1_3 C2_3 F1_3 -74.16(16) . . . . ?
C3_3 C1_3 C2_3 F1_3 169.16(13) . . . . ?
C4_3 C1_3 C2_3 F1_3 49.60(17) . . . . ?
O1_3 C1_3 C2_3 F2_3 164.09(14) . . . . ?
C3_3 C1_3 C2_3 F2_3 47.41(18) . . . . ?
C4_3 C1_3 C2_3 F2_3 -72.15(17) . . . . ?
O1_3 C1_3 C2_3 F3_3 44.45(17) . . . . ?
C3_3 C1_3 C2_3 F3_3 -72.23(17) . . . . ?
C4_3 C1_3 C2_3 F3_3 168.22(13) . . . . ?
O1_3 C1_3 C3_3 F4_3 51.45(17) . . . . ?
C2_3 C1_3 C3_3 F4_3 166.03(13) . . . . ?
C4_3 C1_3 C3_3 F4_3 -75.28(17) . . . . ?
O1_3 C1_3 C3_3 F6_3 172.46(14) . . . . ?
C2_3 C1_3 C3_3 F6_3 -72.96(18) . . . . ?
C4_3 C1_3 C3_3 F6_3 45.7(2) . . . . ?
O1_3 C1_3 C3_3 F5_3 -67.44(18) . . . . ?
C2_3 C1_3 C3_3 F5_3 47.14(19) . . . . ?
C4_3 C1_3 C3_3 F5_3 165.83(14) . . . . ?
O1_3 C1_3 C4_3 F9_3 33.86(19) . . . . ?
C3_3 C1_3 C4_3 F9_3 156.43(14) . . . . ?
C2_3 C1_3 C4_3 F9_3 -83.30(16) . . . . ?
O1_3 C1_3 C4_3 F7_3 -87.69(16) . . . . ?
C3_3 C1_3 C4_3 F7_3 34.88(18) . . . . ?
C2_3 C1_3 C4_3 F7_3 155.15(13) . . . . ?
O1_3 C1_3 C4_3 F8_3 153.09(13) . . . . ?
C3_3 C1_3 C4_3 F8_3 -84.35(17) . . . . ?
C2_3 C1_3 C4_3 F8_3 35.93(17) . . . . ?
B1 O1_2 C1_2 C4_2 63.93(19) . . . . ?
Ag02 O1_2 C1_2 C4_2 -119.24(13) . . . . ?
B1 O1_2 C1_2 C2_2 -178.13(13) . . . . ?
Ag02 O1_2 C1_2 C2_2 -1.31(17) . . . . ?
B1 O1_2 C1_2 C3_2 -60.86(19) . . . . ?
Ag02 O1_2 C1_2 C3_2 115.96(13) . . . . ?
O1_2 C1_2 C2_2 F2_2 -166.10(13) . . . . ?
C4_2 C1_2 C2_2 F2_2 -45.88(18) . . . . ?
C3_2 C1_2 C2_2 F2_2 73.28(17) . . . . ?
O1_2 C1_2 C2_2 F1_2 -45.12(17) . . . . ?
C4_2 C1_2 C2_2 F1_2 75.10(16) . . . . ?
C3_2 C1_2 C2_2 F1_2 -165.74(13) . . . . ?
O1_2 C1_2 C2_2 F3_2 72.76(15) . . . . ?
C4_2 C1_2 C2_2 F3_2 -167.02(13) . . . . ?
C3_2 C1_2 C2_2 F3_2 -47.86(16) . . . . ?
O1_2 C1_2 C3_2 F5_2 -28.57(18) . . . . ?
C4_2 C1_2 C3_2 F5_2 -154.64(13) . . . . ?
C2_2 C1_2 C3_2 F5_2 86.85(15) . . . . ?
O1_2 C1_2 C3_2 F4_2 91.96(15) . . . . ?
C4_2 C1_2 C3_2 F4_2 -34.11(17) . . . . ?
C2_2 C1_2 C3_2 F4_2 -152.62(13) . . . . ?
O1_2 C1_2 C3_2 F6_2 -148.05(13) . . . . ?
C4_2 C1_2 C3_2 F6_2 85.88(16) . . . . ?
C2_2 C1_2 C3_2 F6_2 -32.63(17) . . . . ?
O1_2 C1_2 C4_2 F7_2 -52.36(18) . . . . ?
C2_2 C1_2 C4_2 F7_2 -167.91(13) . . . . ?
C3_2 C1_2 C4_2 F7_2 74.11(16) . . . . ?
O1_2 C1_2 C4_2 F9_2 66.79(17) . . . . ?
C2_2 C1_2 C4_2 F9_2 -48.75(17) . . . . ?
C3_2 C1_2 C4_2 F9_2 -166.73(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 -172.98(13) . . . . ?
C2_2 C1_2 C4_2 F8_2 71.47(17) . . . . ?
C3_2 C1_2 C4_2 F8_2 -46.50(18) . . . . ?
B1 O1_1 C1_1 C3_1 -56.98(18) . . . . ?
Ag02 O1_1 C1_1 C3_1 109.65(12) . . . . ?
B1 O1_1 C1_1 C2_1 -175.29(13) . . . . ?
Ag02 O1_1 C1_1 C2_1 -8.66(16) . . . . ?
B1 O1_1 C1_1 C4_1 67.41(18) . . . . ?
Ag02 O1_1 C1_1 C4_1 -125.95(11) . . . . ?
O1_1 C1_1 C2_1 F2_1 166.04(12) . . . . ?
C3_1 C1_1 C2_1 F2_1 45.43(17) . . . . ?
C4_1 C1_1 C2_1 F2_1 -73.85(15) . . . . ?
O1_1 C1_1 C2_1 F1_1 -72.63(14) . . . . ?
C3_1 C1_1 C2_1 F1_1 166.76(12) . . . . ?
C4_1 C1_1 C2_1 F1_1 47.48(15) . . . . ?
O1_1 C1_1 C2_1 F3_1 45.66(15) . . . . ?
C3_1 C1_1 C2_1 F3_1 -74.94(15) . . . . ?
C4_1 C1_1 C2_1 F3_1 165.77(12) . . . . ?
O1_1 C1_1 C3_1 F4_1 56.70(16) . . . . ?
C2_1 C1_1 C3_1 F4_1 172.18(12) . . . . ?
C4_1 C1_1 C3_1 F4_1 -69.29(16) . . . . ?
O1_1 C1_1 C3_1 F5_1 -63.19(16) . . . . ?
C2_1 C1_1 C3_1 F5_1 52.29(16) . . . . ?
C4_1 C1_1 C3_1 F5_1 170.82(12) . . . . ?
O1_1 C1_1 C3_1 F6_1 176.79(12) . . . . ?
C2_1 C1_1 C3_1 F6_1 -67.73(15) . . . . ?
C4_1 C1_1 C3_1 F6_1 50.80(16) . . . . ?
O1_1 C1_1 C4_1 F9_1 32.59(17) . . . . ?
C3_1 C1_1 C4_1 F9_1 158.62(13) . . . . ?
C2_1 C1_1 C4_1 F9_1 -82.35(15) . . . . ?
O1_1 C1_1 C4_1 F7_1 -88.24(15) . . . . ?
C3_1 C1_1 C4_1 F7_1 37.79(17) . . . . ?
C2_1 C1_1 C4_1 F7_1 156.82(12) . . . . ?
O1_1 C1_1 C4_1 F8_1 152.26(12) . . . . ?
C3_1 C1_1 C4_1 F8_1 -81.71(15) . . . . ?
C2_1 C1_1 C4_1 F8_1 37.32(16) . . . . ?
C1_1 O1_1 B1 F007 -39.19(19) . . . . ?
Ag02 O1_1 B1 F007 150.53(10) . . . . ?
C1_1 O1_1 B1 F005 86.04(17) . . . . ?
Ag02 O1_1 B1 F005 -84.24(11) . . . . ?
C1_1 O1_1 B1 O1_2 -159.76(12) . . . . ?
Ag02 O1_1 B1 O1_2 29.96(10) . . . . ?
C1_2 O1_2 B1 F007 26.9(2) . . . . ?
Ag02 O1_2 B1 F007 -150.74(11) . . . . ?
C1_2 O1_2 B1 F005 -97.71(16) . . . . ?
Ag02 O1_2 B1 F005 84.62(11) . . . . ?
C1_2 O1_2 B1 O1_1 147.26(13) . . . . ?
Ag02 O1_2 B1 O1_1 -30.41(10) . . . . ?
C1_4 O1_4 B2 F009 -45.5(2) . . . . ?
Ag01 O1_4 B2 F009 150.00(11) . . . . ?
C1_4 O1_4 B2 F00M 79.67(17) . . . . ?
Ag01 O1_4 B2 F00M -84.79(11) . . . . ?
C1_4 O1_4 B2 O1_3 -166.29(12) . . . . ?
Ag01 O1_4 B2 O1_3 29.26(11) . . . . ?
C1_3 O1_3 B2 F009 19.7(2) . . . . ?
Ag01 O1_3 B2 F009 -149.41(11) . . . . ?
C1_3 O1_3 B2 F00M -104.85(17) . . . . ?
Ag01 O1_3 B2 F00M 86.05(11) . . . . ?
C1_3 O1_3 B2 O1_4 139.44(14) . . . . ?
Ag01 O1_3 B2 O1_4 -29.65(11) . . . . ?

_refine_diff_density_max         0.608
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.068


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Fluorobenzene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
