# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_ag(ch2cl2)4_654
_database_code_depnum_ccdc_archive 'CCDC 1945481'
loop_
_audit_author_name
_audit_author_address
'Daniel Kratzert'
;Albert Ludwigs Universitaet Freiburg
Germany
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V79 by Daniel Kratzert, Freiburg 2020,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C41 H18 Ag2 Al2 Cl18 F72 O8'
_chemical_formula_moiety         '2(C16 Al F36 O4), 2(C4 H8 Ag Cl8), C H2 Cl2'
_chemical_formula_weight         2914.35
_chemical_melting_point          ?
_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                   9.7789(3)
_cell_length_b                   15.2594(4)
_cell_length_c                   15.3111(4)
_cell_angle_alpha                79.397(2)
_cell_angle_beta                 80.251(2)
_cell_angle_gamma                86.321(2)
_cell_volume                     2212.00(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5405
_cell_measurement_theta_min      2.472
_cell_measurement_theta_max      19.2025
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_F_000             1402
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6875
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           40.0
_diffrn_detector                 CCD
_diffrn_detector_type            'Bruker APEXII'
_diffrn_detector_area_resol_mean 8.3
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 QUAZAR'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            37459
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_theta_min         1.358
_diffrn_reflns_theta_max         25.203
_diffrn_reflns_theta_full        25.203
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.978
_reflns_number_total             7798
_reflns_number_gt                4813
_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       'Bruker BIS BIS 1.2.1.21/18-Nov-2005'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
Similar atomic bond lengths of disordered moyeties were made equal using bond
length restrains for 1,2- and 1,3-distances. Also virbrational parameters of
comparable moyeties in close vicinity were made equal using SIMU, DELU and RIGU
restraints.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0790P)²+10.9800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7798
_refine_ls_number_parameters     882
_refine_ls_number_restraints     6897
_refine_ls_R_factor_all          0.1189
_refine_ls_R_factor_gt           0.0676
_refine_ls_wR_factor_ref         0.1878
_refine_ls_wR_factor_gt          0.1583
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      0.866
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.956
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

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'
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'

_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_
_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_3 O 1.0268(7) 0.7717(5) 0.3682(4) 0.067(2) Uani 1 1 d D U . A 1
C1_3 C 1.0736(7) 0.7669(4) 0.4474(4) 0.0344(15) Uani 1 1 d D U . A 1
C2_3 C 1.2128(7) 0.7139(5) 0.4386(5) 0.0498(19) Uani 1 1 d D U . A 1
F1_3 F 1.2079(6) 0.6422(4) 0.4015(4) 0.0775(18) Uani 1 1 d D U . A 1
F2_3 F 1.2533(6) 0.6844(4) 0.5184(4) 0.0767(17) Uani 1 1 d D U . A 1
F3_3 F 1.3130(5) 0.7647(4) 0.3883(4) 0.0760(17) Uani 1 1 d D U . A 1
C3_3 C 1.0931(9) 0.8604(5) 0.4651(5) 0.053(2) Uani 1 1 d D U . A 1
F4_3 F 0.9727(7) 0.8984(4) 0.4941(4) 0.087(2) Uani 1 1 d D U . A 1
F5_3 F 1.1514(6) 0.9125(3) 0.3919(4) 0.0781(18) Uani 1 1 d D U . A 1
F6_3 F 1.1752(7) 0.8576(4) 0.5280(4) 0.0769(17) Uani 1 1 d D U . A 1
C4_3 C 0.9718(8) 0.7164(5) 0.5258(4) 0.0425(17) Uani 1 1 d D U . A 1
F7_3 F 0.8398(5) 0.7444(4) 0.5193(4) 0.0746(17) Uani 1 1 d D U . A 1
F8_3 F 0.9966(6) 0.7271(3) 0.6058(3) 0.0642(15) Uani 1 1 d D U . A 1
F9_3 F 0.9782(5) 0.6294(3) 0.5256(3) 0.0514(12) Uani 1 1 d D U . A 1
O1_11 O 1.0213(15) 0.7737(14) 0.2021(8) 0.032(3) Uani 0.454(7) 1 d D U P A 2
C1_11 C 1.1074(12) 0.8064(8) 0.1254(8) 0.0287(13) Uani 0.454(7) 1 d D U P A 2
C2_11 C 1.0258(14) 0.8201(9) 0.0460(8) 0.045(3) Uani 0.454(7) 1 d D U P A 2
F1_11 F 0.971(2) 0.7456(14) 0.037(2) 0.069(3) Uani 0.454(7) 1 d D U P A 2
F2_11 F 1.1051(17) 0.8469(15) -0.0323(8) 0.124(6) Uani 0.454(7) 1 d D U P A 2
F3_11 F 0.9265(14) 0.8839(10) 0.0555(12) 0.075(5) Uani 0.454(7) 1 d D U P A 2
C3_11 C 1.1692(14) 0.8944(8) 0.1309(9) 0.040(3) Uani 0.454(7) 1 d D U P A 2
F4_11 F 1.253(2) 0.8849(12) 0.1919(13) 0.110(7) Uani 0.454(7) 1 d D U P A 2
F5_11 F 1.074(2) 0.9561(14) 0.1500(16) 0.067(6) Uani 0.454(7) 1 d D U P A 2
F6_11 F 1.247(2) 0.9299(14) 0.0549(12) 0.110(7) Uani 0.454(7) 1 d D U P A 2
C4_11 C 1.2237(12) 0.7348(8) 0.1103(8) 0.038(3) Uani 0.454(7) 1 d D U P A 2
F7_11 F 1.2995(16) 0.7180(11) 0.1759(10) 0.081(5) Uani 0.454(7) 1 d D U P A 2
F8_11 F 1.3106(13) 0.7595(8) 0.0336(8) 0.076(4) Uani 0.454(7) 1 d D U P A 2
F9_11 F 1.172(2) 0.6589(9) 0.1031(13) 0.068(5) Uani 0.454(7) 1 d D U P A 2
O1_10 O 0.9842(12) 0.7807(11) 0.1878(6) 0.032(3) Uani 0.546(7) 1 d D U P A 1
C1_10 C 1.0972(11) 0.8090(7) 0.1249(7) 0.0287(13) Uani 0.546(7) 1 d D U P A 1
C2_10 C 1.2349(11) 0.7959(7) 0.1630(7) 0.040(2) Uani 0.546(7) 1 d D U P A 1
F1_10 F 1.2431(13) 0.8579(8) 0.2134(6) 0.048(3) Uani 0.546(7) 1 d D U P A 1
F2_10 F 1.3457(8) 0.7995(7) 0.0974(6) 0.062(3) Uani 0.546(7) 1 d D U P A 1
F3_10 F 1.2411(9) 0.7153(6) 0.2160(6) 0.039(2) Uani 0.546(7) 1 d D U P A 1
C3_10 C 1.1065(13) 0.7550(8) 0.0482(7) 0.043(2) Uani 0.546(7) 1 d D U P A 1
F4_10 F 0.9836(19) 0.7488(13) 0.0247(18) 0.069(3) Uani 0.546(7) 1 d D U P A 1
F5_10 F 1.1631(18) 0.6737(8) 0.0700(9) 0.050(3) Uani 0.546(7) 1 d D U P A 1
F6_10 F 1.1830(12) 0.7944(7) -0.0278(5) 0.065(3) Uani 0.546(7) 1 d D U P A 1
C4_10 C 1.0733(11) 0.9088(7) 0.0882(8) 0.041(3) Uani 0.546(7) 1 d D U P A 1
F7_10 F 0.9744(11) 0.9189(7) 0.0359(7) 0.055(3) Uani 0.546(7) 1 d D U P A 1
F8_10 F 1.1889(10) 0.9446(10) 0.0383(8) 0.049(3) Uani 0.546(7) 1 d D U P A 1
F9_10 F 1.0330(17) 0.9547(10) 0.1540(11) 0.049(3) Uani 0.546(7) 1 d D U P A 1
Cl1_9 Cl 0.6318(2) 0.69213(13) 0.97542(14) 0.0489(5) Uani 1 1 d D U . . .
Cl2_9 Cl 0.5731(2) 0.88212(14) 0.92609(14) 0.0508(6) Uani 1 1 d D U . . .
C1_9 C 0.6417(9) 0.7985(4) 1.0034(6) 0.046(2) Uani 1 1 d D U . . .
H1A_9 H 0.589470 0.799392 1.064596 0.055 Uiso 1 1 calc R U . . .
H1AB_9 H 0.739832 0.810525 1.003851 0.055 Uiso 1 1 calc R U . . .
Cl1_8 Cl 0.9190(2) 0.80655(15) 0.80159(14) 0.0474(5) Uani 1 1 d D U . . .
Cl2_8 Cl 0.7144(2) 0.87149(16) 0.68367(14) 0.0509(6) Uani 1 1 d D U . . .
C1_8 C 0.8565(9) 0.8981(5) 0.7291(6) 0.053(2) Uani 1 1 d D U . . .
H1A_8 H 0.828358 0.947562 0.762878 0.064 Uiso 1 1 calc R U . . .
H1AB_8 H 0.932191 0.919120 0.679402 0.064 Uiso 1 1 calc R U . . .
Cl1_7 Cl 0.4840(3) 0.71087(19) 0.64071(17) 0.0699(7) Uani 1 1 d D U . . .
Cl2_7 Cl 0.3406(3) 0.7102(2) 0.82201(18) 0.0798(9) Uani 1 1 d D U . . .
C1_7 C 0.3237(9) 0.7034(6) 0.7110(5) 0.058(3) Uani 1 1 d D U . . .
H1A_7 H 0.282175 0.646036 0.710410 0.069 Uiso 1 1 calc R U . . .
H1AB_7 H 0.260404 0.752264 0.688182 0.069 Uiso 1 1 calc R U . . .
Cl1_6 Cl 0.7816(3) 0.60151(16) 0.74538(19) 0.0682(7) Uani 1 1 d D U . . .
Cl2_6 Cl 0.5828(3) 0.50064(19) 0.88325(19) 0.0765(8) Uani 1 1 d D U . . .
C1_6 C 0.6799(12) 0.5066(6) 0.7763(7) 0.076(3) Uani 1 1 d D U . . .
H1A_6 H 0.616543 0.507836 0.732062 0.091 Uiso 1 1 calc R U . . .
H1AB_6 H 0.741285 0.452542 0.774756 0.091 Uiso 1 1 calc R U . . .
Cl1_5 Cl -0.0192(17) 0.5693(10) 0.9308(10) 0.158(7) Uani 0.5 1 d D U P B -1
Cl2_5 Cl -0.028(2) 0.4258(11) 1.0818(10) 0.194(9) Uani 0.5 1 d D U P B -1
C1_5 C 0.080(2) 0.4911(15) 0.9940(15) 0.131(12) Uani 0.5 1 d D U P B -1
H1A_5 H 0.146051 0.522306 1.019315 0.158 Uiso 0.5 1 calc R U P B -1
H1AB_5 H 0.135011 0.452283 0.954725 0.158 Uiso 0.5 1 calc R U P B -1
O1_4 O 0.8129(5) 0.8776(3) 0.3006(5) 0.0539(17) Uani 1 1 d D U . . .
C1_4 C 0.6935(6) 0.9275(4) 0.3051(4) 0.0294(14) Uani 1 1 d D U . . .
C2_4 C 0.7294(8) 1.0265(5) 0.2827(6) 0.056(2) Uani 1 1 d D U . . .
F1_4 F 0.8298(6) 1.0409(4) 0.3266(5) 0.0814(18) Uani 1 1 d D U . . .
F2_4 F 0.6210(6) 1.0797(3) 0.3099(5) 0.084(2) Uani 1 1 d D U . . .
F3_4 F 0.7732(7) 1.0505(3) 0.1947(4) 0.0789(18) Uani 1 1 d D U . . .
C3_4 C 0.6036(8) 0.9088(5) 0.2376(5) 0.053(2) Uani 1 1 d D U . . .
F4_4 F 0.5440(6) 0.8299(3) 0.2656(4) 0.0748(17) Uani 1 1 d D U . . .
F5_4 F 0.6845(7) 0.9051(5) 0.1589(4) 0.104(2) Uani 1 1 d D U . . .
F6_4 F 0.5043(6) 0.9695(4) 0.2245(4) 0.0781(17) Uani 1 1 d D U . . .
C4_4 C 0.6084(8) 0.9064(5) 0.4008(5) 0.055(2) Uani 1 1 d D U . . .
F7_4 F 0.6017(6) 0.8189(3) 0.4294(4) 0.0726(17) Uani 1 1 d D U . . .
F8_4 F 0.4772(5) 0.9373(4) 0.4053(4) 0.0684(16) Uani 1 1 d D U . . .
F9_4 F 0.6715(8) 0.9416(5) 0.4582(4) 0.105(2) Uani 1 1 d D U . . .
O1_2 O 0.801(4) 0.6935(18) 0.315(3) 0.0443(18) Uani 0.215(7) 1 d D U P A 2
C1_2 C 0.7676(19) 0.6084(15) 0.3190(13) 0.0358(14) Uani 0.215(7) 1 d D U P A 2
C2_2 C 0.884(2) 0.5419(16) 0.3449(15) 0.045(5) Uani 0.215(7) 1 d D U P A 2
F1_2 F 1.006(2) 0.5773(18) 0.306(3) 0.073(9) Uani 0.215(7) 1 d D U P A 2
F2_2 F 0.879(5) 0.463(2) 0.320(3) 0.036(8) Uani 0.215(7) 1 d D U P A 2
F3_2 F 0.877(3) 0.5247(18) 0.4344(15) 0.082(8) Uani 0.215(7) 1 d D U P A 2
C3_2 C 0.639(2) 0.5908(15) 0.3916(15) 0.055(5) Uani 0.215(7) 1 d D U P A 2
F4_2 F 0.530(2) 0.6315(18) 0.358(2) 0.083(8) Uani 0.215(7) 1 d D U P A 2
F5_2 F 0.659(3) 0.621(2) 0.4656(16) 0.081(8) Uani 0.215(7) 1 d D U P A 2
F6_2 F 0.616(5) 0.5035(16) 0.417(3) 0.096(12) Uani 0.215(7) 1 d D U P A 2
C4_2 C 0.736(2) 0.5992(15) 0.2260(14) 0.051(4) Uani 0.215(7) 1 d D U P A 2
F7_2 F 0.647(4) 0.6644(19) 0.198(2) 0.087(8) Uani 0.215(7) 1 d D U P A 2
F8_2 F 0.677(5) 0.5219(19) 0.229(3) 0.081(9) Uani 0.215(7) 1 d D U P A 2
F9_2 F 0.854(3) 0.6031(16) 0.1679(16) 0.092(9) Uani 0.215(7) 1 d D U P A 2
O1_1 O 0.7962(12) 0.6926(6) 0.3300(8) 0.0443(18) Uani 0.785(7) 1 d D U P A 1
C1_1 C 0.7627(9) 0.6105(6) 0.3207(6) 0.0358(14) Uani 0.785(7) 1 d D U P A 1
C2_1 C 0.6786(10) 0.6171(7) 0.2428(7) 0.056(2) Uani 0.785(7) 1 d D U P A 1
F1_1 F 0.5474(7) 0.6443(5) 0.2654(7) 0.084(3) Uani 0.785(7) 1 d D U P A 1
F2_1 F 0.6779(14) 0.5409(6) 0.2119(9) 0.077(3) Uani 0.785(7) 1 d D U P A 1
F3_1 F 0.7391(9) 0.6767(5) 0.1711(5) 0.073(2) Uani 0.785(7) 1 d D U P A 1
C3_1 C 0.8922(9) 0.5497(6) 0.3041(6) 0.038(2) Uani 0.785(7) 1 d D U P A 1
F4_1 F 0.9838(8) 0.5567(6) 0.3568(6) 0.058(2) Uani 0.785(7) 1 d D U P A 1
F5_1 F 0.9575(7) 0.5719(4) 0.2179(5) 0.060(2) Uani 0.785(7) 1 d D U P A 1
F6_1 F 0.8623(16) 0.4635(6) 0.3171(10) 0.047(3) Uani 0.785(7) 1 d D U P A 1
C4_1 C 0.6723(10) 0.5669(6) 0.4087(7) 0.056(2) Uani 0.785(7) 1 d D U P A 1
F7_1 F 0.7483(9) 0.5388(5) 0.4734(5) 0.078(3) Uani 0.785(7) 1 d D U P A 1
F8_1 F 0.6033(12) 0.4976(6) 0.3949(8) 0.071(3) Uani 0.785(7) 1 d D U P A 1
F9_1 F 0.5742(8) 0.6257(4) 0.4370(6) 0.070(3) Uani 0.785(7) 1 d D U P A 1
Ag Ag 0.61593(7) 0.73376(5) 0.80090(5) 0.0508(2) Uani 1 1 d . . . . .
Al1 Al 0.9073(2) 0.78037(12) 0.29877(12) 0.0190(4) Uani 1 1 d D . . . .


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_3 C1_3 1.355(7) . ?
O1_3 Al1 1.692(5) . ?
C1_3 C3_3 1.531(9) . ?
C1_3 C2_3 1.536(9) . ?
C1_3 C4_3 1.543(8) . ?
C2_3 F1_3 1.330(8) . ?
C2_3 F3_3 1.331(8) . ?
C2_3 F2_3 1.338(8) . ?
C3_3 F5_3 1.314(8) . ?
C3_3 F4_3 1.323(8) . ?
C3_3 F6_3 1.348(8) . ?
C4_3 F9_3 1.326(8) . ?
C4_3 F8_3 1.327(8) . ?
C4_3 F7_3 1.347(8) . ?
O1_11 C1_11 1.358(12) . ?
O1_11 Al1 1.710(10) . ?
C1_11 C3_11 1.530(12) . ?
C1_11 C2_11 1.539(12) . ?
C1_11 C4_11 1.544(12) . ?
C2_11 F2_11 1.324(12) . ?
C2_11 F1_11 1.325(13) . ?
C2_11 F3_11 1.339(12) . ?
C3_11 F5_11 1.319(12) . ?
C3_11 F6_11 1.320(12) . ?
C3_11 F4_11 1.330(12) . ?
C4_11 F9_11 1.324(12) . ?
C4_11 F7_11 1.325(12) . ?
C4_11 F8_11 1.335(11) . ?
O1_10 C1_10 1.371(11) . ?
O1_10 Al1 1.738(9) . ?
C1_10 C3_10 1.541(11) . ?
C1_10 C4_10 1.542(11) . ?
C1_10 C2_10 1.544(11) . ?
C2_10 F1_10 1.341(11) . ?
C2_10 F2_10 1.343(10) . ?
C2_10 F3_10 1.346(11) . ?
C3_10 F4_10 1.325(13) . ?
C3_10 F5_10 1.334(12) . ?
C3_10 F6_10 1.334(11) . ?
C4_10 F9_10 1.322(12) . ?
C4_10 F8_10 1.339(11) . ?
C4_10 F7_10 1.341(11) . ?
Cl1_9 C1_9 1.765(7) . ?
Cl1_9 Ag 2.659(2) . ?
Cl2_9 C1_9 1.756(7) . ?
C1_9 H1A_9 0.9900 . ?
C1_9 H1AB_9 0.9900 . ?
Cl1_8 C1_8 1.763(7) . ?
Cl2_8 C1_8 1.756(8) . ?
Cl2_8 Ag 2.618(2) . ?
C1_8 H1A_8 0.9900 . ?
C1_8 H1AB_8 0.9900 . ?
Cl1_7 C1_7 1.742(9) . ?
Cl2_7 C1_7 1.757(8) . ?
Cl2_7 Ag 2.696(3) . ?
C1_7 H1A_7 0.9900 . ?
C1_7 H1AB_7 0.9900 . ?
Cl1_6 C1_6 1.755(8) . ?
Cl1_6 Ag 2.677(3) . ?
Cl2_6 C1_6 1.738(9) . ?
C1_6 H1A_6 0.9900 . ?
C1_6 H1AB_6 0.9900 . ?
Cl1_5 C1_5 1.748(14) . ?
Cl2_5 C1_5 1.756(15) . ?
C1_5 H1A_5 0.9900 . ?
C1_5 H1AB_5 0.9900 . ?
O1_4 C1_4 1.351(7) . ?
O1_4 Al1 1.698(5) . ?
C1_4 C2_4 1.537(8) . ?
C1_4 C3_4 1.539(9) . ?
C1_4 C4_4 1.546(9) . ?
C2_4 F1_4 1.331(8) . ?
C2_4 F3_4 1.333(9) . ?
C2_4 F2_4 1.349(8) . ?
C3_4 F6_4 1.312(8) . ?
C3_4 F5_4 1.334(8) . ?
C3_4 F4_4 1.338(8) . ?
C4_4 F7_4 1.328(8) . ?
C4_4 F8_4 1.334(8) . ?
C4_4 F9_4 1.357(9) . ?
O1_2 C1_2 1.348(14) . ?
O1_2 Al1 1.692(14) . ?
C1_2 C2_2 1.532(13) . ?
C1_2 C3_2 1.536(13) . ?
C1_2 C4_2 1.540(13) . ?
C2_2 F1_2 1.334(14) . ?
C2_2 F2_2 1.336(14) . ?
C2_2 F3_2 1.338(14) . ?
C3_2 F4_2 1.323(14) . ?
C3_2 F6_2 1.339(14) . ?
C3_2 F5_2 1.345(14) . ?
C4_2 F9_2 1.330(14) . ?
C4_2 F8_2 1.337(14) . ?
C4_2 F7_2 1.343(13) . ?
O1_1 C1_1 1.353(9) . ?
O1_1 Al1 1.726(6) . ?
C1_1 C3_1 1.535(10) . ?
C1_1 C4_1 1.544(10) . ?
C1_1 C2_1 1.545(10) . ?
C2_1 F1_1 1.331(10) . ?
C2_1 F2_1 1.333(10) . ?
C2_1 F3_1 1.366(10) . ?
C3_1 F4_1 1.324(9) . ?
C3_1 F6_1 1.339(10) . ?
C3_1 F5_1 1.357(9) . ?
C4_1 F7_1 1.330(10) . ?
C4_1 F9_1 1.343(10) . ?
C4_1 F8_1 1.357(10) . ?

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_3 O1_3 Al1 156.5(6) . . ?
O1_3 C1_3 C3_3 110.5(6) . . ?
O1_3 C1_3 C2_3 106.2(6) . . ?
C3_3 C1_3 C2_3 110.7(6) . . ?
O1_3 C1_3 C4_3 110.7(6) . . ?
C3_3 C1_3 C4_3 109.6(6) . . ?
C2_3 C1_3 C4_3 109.0(5) . . ?
F1_3 C2_3 F3_3 107.9(6) . . ?
F1_3 C2_3 F2_3 106.1(7) . . ?
F3_3 C2_3 F2_3 107.0(6) . . ?
F1_3 C2_3 C1_3 112.6(6) . . ?
F3_3 C2_3 C1_3 110.7(6) . . ?
F2_3 C2_3 C1_3 112.3(6) . . ?
F5_3 C3_3 F4_3 107.9(7) . . ?
F5_3 C3_3 F6_3 107.3(7) . . ?
F4_3 C3_3 F6_3 107.7(7) . . ?
F5_3 C3_3 C1_3 111.5(6) . . ?
F4_3 C3_3 C1_3 111.1(6) . . ?
F6_3 C3_3 C1_3 111.2(6) . . ?
F9_3 C4_3 F8_3 106.9(6) . . ?
F9_3 C4_3 F7_3 106.6(6) . . ?
F8_3 C4_3 F7_3 108.0(6) . . ?
F9_3 C4_3 C1_3 111.7(6) . . ?
F8_3 C4_3 C1_3 112.6(6) . . ?
F7_3 C4_3 C1_3 110.7(5) . . ?
C1_11 O1_11 Al1 155.4(16) . . ?
O1_11 C1_11 C3_11 112.1(12) . . ?
O1_11 C1_11 C2_11 108.8(11) . . ?
C3_11 C1_11 C2_11 109.8(10) . . ?
O1_11 C1_11 C4_11 107.2(10) . . ?
C3_11 C1_11 C4_11 110.4(10) . . ?
C2_11 C1_11 C4_11 108.5(9) . . ?
F2_11 C2_11 F1_11 105.3(16) . . ?
F2_11 C2_11 F3_11 106.2(13) . . ?
F1_11 C2_11 F3_11 110.1(15) . . ?
F2_11 C2_11 C1_11 112.5(11) . . ?
F1_11 C2_11 C1_11 112.4(14) . . ?
F3_11 C2_11 C1_11 110.1(11) . . ?
F5_11 C3_11 F6_11 105.9(14) . . ?
F5_11 C3_11 F4_11 107.5(15) . . ?
F6_11 C3_11 F4_11 104.5(15) . . ?
F5_11 C3_11 C1_11 112.8(13) . . ?
F6_11 C3_11 C1_11 112.9(12) . . ?
F4_11 C3_11 C1_11 112.7(11) . . ?
F9_11 C4_11 F7_11 108.1(13) . . ?
F9_11 C4_11 F8_11 105.9(13) . . ?
F7_11 C4_11 F8_11 107.1(12) . . ?
F9_11 C4_11 C1_11 111.0(12) . . ?
F7_11 C4_11 C1_11 112.9(11) . . ?
F8_11 C4_11 C1_11 111.5(10) . . ?
C1_10 O1_10 Al1 143.4(11) . . ?
O1_10 C1_10 C3_10 107.5(9) . . ?
O1_10 C1_10 C4_10 108.2(10) . . ?
C3_10 C1_10 C4_10 109.6(9) . . ?
O1_10 C1_10 C2_10 113.3(9) . . ?
C3_10 C1_10 C2_10 109.0(9) . . ?
C4_10 C1_10 C2_10 109.1(8) . . ?
F1_10 C2_10 F2_10 109.8(10) . . ?
F1_10 C2_10 F3_10 107.7(10) . . ?
F2_10 C2_10 F3_10 107.0(9) . . ?
F1_10 C2_10 C1_10 109.9(9) . . ?
F2_10 C2_10 C1_10 111.9(9) . . ?
F3_10 C2_10 C1_10 110.3(9) . . ?
F4_10 C3_10 F5_10 109.8(13) . . ?
F4_10 C3_10 F6_10 103.6(13) . . ?
F5_10 C3_10 F6_10 107.0(11) . . ?
F4_10 C3_10 C1_10 111.9(13) . . ?
F5_10 C3_10 C1_10 111.6(10) . . ?
F6_10 C3_10 C1_10 112.4(9) . . ?
F9_10 C4_10 F8_10 108.0(12) . . ?
F9_10 C4_10 F7_10 108.1(12) . . ?
F8_10 C4_10 F7_10 107.9(10) . . ?
F9_10 C4_10 C1_10 111.6(10) . . ?
F8_10 C4_10 C1_10 111.4(10) . . ?
F7_10 C4_10 C1_10 109.7(9) . . ?
C1_9 Cl1_9 Ag 101.6(3) . . ?
Cl2_9 C1_9 Cl1_9 111.1(4) . . ?
Cl2_9 C1_9 H1A_9 109.4 . . ?
Cl1_9 C1_9 H1A_9 109.4 . . ?
Cl2_9 C1_9 H1AB_9 109.4 . . ?
Cl1_9 C1_9 H1AB_9 109.4 . . ?
H1A_9 C1_9 H1AB_9 108.0 . . ?
C1_8 Cl2_8 Ag 102.3(3) . . ?
Cl2_8 C1_8 Cl1_8 112.4(4) . . ?
Cl2_8 C1_8 H1A_8 109.1 . . ?
Cl1_8 C1_8 H1A_8 109.1 . . ?
Cl2_8 C1_8 H1AB_8 109.1 . . ?
Cl1_8 C1_8 H1AB_8 109.1 . . ?
H1A_8 C1_8 H1AB_8 107.8 . . ?
C1_7 Cl2_7 Ag 100.1(3) . . ?
Cl1_7 C1_7 Cl2_7 111.3(5) . . ?
Cl1_7 C1_7 H1A_7 109.4 . . ?
Cl2_7 C1_7 H1A_7 109.4 . . ?
Cl1_7 C1_7 H1AB_7 109.4 . . ?
Cl2_7 C1_7 H1AB_7 109.4 . . ?
H1A_7 C1_7 H1AB_7 108.0 . . ?
C1_6 Cl1_6 Ag 104.9(4) . . ?
Cl2_6 C1_6 Cl1_6 112.1(5) . . ?
Cl2_6 C1_6 H1A_6 109.2 . . ?
Cl1_6 C1_6 H1A_6 109.2 . . ?
Cl2_6 C1_6 H1AB_6 109.2 . . ?
Cl1_6 C1_6 H1AB_6 109.2 . . ?
H1A_6 C1_6 H1AB_6 107.9 . . ?
Cl1_5 C1_5 Cl2_5 110.0(12) . . ?
Cl1_5 C1_5 H1A_5 109.7 . . ?
Cl2_5 C1_5 H1A_5 109.7 . . ?
Cl1_5 C1_5 H1AB_5 109.7 . . ?
Cl2_5 C1_5 H1AB_5 109.7 . . ?
H1A_5 C1_5 H1AB_5 108.2 . . ?
C1_4 O1_4 Al1 153.8(5) . . ?
O1_4 C1_4 C2_4 108.6(5) . . ?
O1_4 C1_4 C3_4 111.5(6) . . ?
C2_4 C1_4 C3_4 108.6(6) . . ?
O1_4 C1_4 C4_4 110.0(6) . . ?
C2_4 C1_4 C4_4 109.8(6) . . ?
C3_4 C1_4 C4_4 108.3(5) . . ?
F1_4 C2_4 F3_4 108.4(7) . . ?
F1_4 C2_4 F2_4 105.6(7) . . ?
F3_4 C2_4 F2_4 110.2(7) . . ?
F1_4 C2_4 C1_4 110.1(6) . . ?
F3_4 C2_4 C1_4 110.4(6) . . ?
F2_4 C2_4 C1_4 112.0(6) . . ?
F6_4 C3_4 F5_4 108.6(7) . . ?
F6_4 C3_4 F4_4 107.5(7) . . ?
F5_4 C3_4 F4_4 107.2(7) . . ?
F6_4 C3_4 C1_4 113.3(6) . . ?
F5_4 C3_4 C1_4 109.1(6) . . ?
F4_4 C3_4 C1_4 110.9(6) . . ?
F7_4 C4_4 F8_4 105.8(7) . . ?
F7_4 C4_4 F9_4 108.2(7) . . ?
F8_4 C4_4 F9_4 109.5(7) . . ?
F7_4 C4_4 C1_4 110.9(6) . . ?
F8_4 C4_4 C1_4 113.3(6) . . ?
F9_4 C4_4 C1_4 109.0(6) . . ?
C1_2 O1_2 Al1 156(3) . . ?
O1_2 C1_2 C2_2 112.1(19) . . ?
O1_2 C1_2 C3_2 106.7(15) . . ?
C2_2 C1_2 C3_2 108.9(13) . . ?
O1_2 C1_2 C4_2 108.1(18) . . ?
C2_2 C1_2 C4_2 109.9(13) . . ?
C3_2 C1_2 C4_2 111.2(14) . . ?
F1_2 C2_2 F2_2 108(2) . . ?
F1_2 C2_2 F3_2 110.5(19) . . ?
F2_2 C2_2 F3_2 106(2) . . ?
F1_2 C2_2 C1_2 108.3(16) . . ?
F2_2 C2_2 C1_2 114(2) . . ?
F3_2 C2_2 C1_2 110.1(15) . . ?
F4_2 C3_2 F6_2 109(2) . . ?
F4_2 C3_2 F5_2 111.8(19) . . ?
F6_2 C3_2 F5_2 106.3(19) . . ?
F4_2 C3_2 C1_2 108.3(16) . . ?
F6_2 C3_2 C1_2 111.9(19) . . ?
F5_2 C3_2 C1_2 109.2(16) . . ?
F9_2 C4_2 F8_2 109(2) . . ?
F9_2 C4_2 F7_2 110.2(19) . . ?
F8_2 C4_2 F7_2 106.7(19) . . ?
F9_2 C4_2 C1_2 109.0(16) . . ?
F8_2 C4_2 C1_2 111.3(19) . . ?
F7_2 C4_2 C1_2 110.4(16) . . ?
C1_1 O1_1 Al1 149.1(9) . . ?
O1_1 C1_1 C3_1 111.7(8) . . ?
O1_1 C1_1 C4_1 108.7(7) . . ?
C3_1 C1_1 C4_1 107.7(7) . . ?
O1_1 C1_1 C2_1 110.6(8) . . ?
C3_1 C1_1 C2_1 109.6(7) . . ?
C4_1 C1_1 C2_1 108.4(7) . . ?
F1_1 C2_1 F2_1 108.0(10) . . ?
F1_1 C2_1 F3_1 108.4(9) . . ?
F2_1 C2_1 F3_1 105.2(9) . . ?
F1_1 C2_1 C1_1 112.3(8) . . ?
F2_1 C2_1 C1_1 113.7(9) . . ?
F3_1 C2_1 C1_1 108.9(8) . . ?
F4_1 C3_1 F6_1 107.1(9) . . ?
F4_1 C3_1 F5_1 106.9(8) . . ?
F6_1 C3_1 F5_1 107.2(9) . . ?
F4_1 C3_1 C1_1 112.5(8) . . ?
F6_1 C3_1 C1_1 112.7(9) . . ?
F5_1 C3_1 C1_1 110.2(7) . . ?
F7_1 C4_1 F9_1 108.8(9) . . ?
F7_1 C4_1 F8_1 109.6(9) . . ?
F9_1 C4_1 F8_1 106.0(9) . . ?
F7_1 C4_1 C1_1 111.4(8) . . ?
F9_1 C4_1 C1_1 110.1(8) . . ?
F8_1 C4_1 C1_1 110.9(8) . . ?
Cl2_8 Ag Cl1_9 128.86(7) . . ?
Cl2_8 Ag Cl1_6 101.15(8) . . ?
Cl1_9 Ag Cl1_6 98.13(8) . . ?
Cl2_8 Ag Cl2_7 116.97(8) . . ?
Cl1_9 Ag Cl2_7 95.16(8) . . ?
Cl1_6 Ag Cl2_7 116.19(10) . . ?
O1_3 Al1 O1_4 110.3(4) . . ?
O1_2 Al1 O1_4 110.4(14) . . ?
O1_2 Al1 O1_11 106.5(16) . . ?
O1_4 Al1 O1_11 116.1(7) . . ?
O1_3 Al1 O1_1 111.1(5) . . ?
O1_4 Al1 O1_1 109.0(5) . . ?
O1_3 Al1 O1_10 111.8(5) . . ?
O1_4 Al1 O1_10 106.9(6) . . ?
O1_1 Al1 O1_10 107.6(7) . . ?

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_3 C1_3 C3_3 -87.4(15) . . . . ?
Al1 O1_3 C1_3 C2_3 152.4(13) . . . . ?
Al1 O1_3 C1_3 C4_3 34.2(17) . . . . ?
O1_3 C1_3 C2_3 F1_3 -44.3(8) . . . . ?
C3_3 C1_3 C2_3 F1_3 -164.3(6) . . . . ?
C4_3 C1_3 C2_3 F1_3 75.1(8) . . . . ?
O1_3 C1_3 C2_3 F3_3 76.5(7) . . . . ?
C3_3 C1_3 C2_3 F3_3 -43.5(8) . . . . ?
C4_3 C1_3 C2_3 F3_3 -164.1(6) . . . . ?
O1_3 C1_3 C2_3 F2_3 -163.9(6) . . . . ?
C3_3 C1_3 C2_3 F2_3 76.1(7) . . . . ?
C4_3 C1_3 C2_3 F2_3 -44.6(8) . . . . ?
O1_3 C1_3 C3_3 F5_3 -42.6(9) . . . . ?
C2_3 C1_3 C3_3 F5_3 74.8(8) . . . . ?
C4_3 C1_3 C3_3 F5_3 -165.0(6) . . . . ?
O1_3 C1_3 C3_3 F4_3 77.7(8) . . . . ?
C2_3 C1_3 C3_3 F4_3 -164.8(6) . . . . ?
C4_3 C1_3 C3_3 F4_3 -44.6(8) . . . . ?
O1_3 C1_3 C3_3 F6_3 -162.3(6) . . . . ?
C2_3 C1_3 C3_3 F6_3 -44.8(8) . . . . ?
C4_3 C1_3 C3_3 F6_3 75.4(8) . . . . ?
O1_3 C1_3 C4_3 F9_3 73.8(8) . . . . ?
C3_3 C1_3 C4_3 F9_3 -164.0(6) . . . . ?
C2_3 C1_3 C4_3 F9_3 -42.7(8) . . . . ?
O1_3 C1_3 C4_3 F8_3 -165.9(6) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.7(8) . . . . ?
C2_3 C1_3 C4_3 F8_3 77.6(7) . . . . ?
O1_3 C1_3 C4_3 F7_3 -44.9(8) . . . . ?
C3_3 C1_3 C4_3 F7_3 77.3(7) . . . . ?
C2_3 C1_3 C4_3 F7_3 -161.4(6) . . . . ?
Al1 O1_11 C1_11 C3_11 28(3) . . . . ?
Al1 O1_11 C1_11 C2_11 -94(3) . . . . ?
Al1 O1_11 C1_11 C4_11 149(3) . . . . ?
O1_11 C1_11 C2_11 F2_11 -176.2(16) . . . . ?
C3_11 C1_11 C2_11 F2_11 60.8(16) . . . . ?
C4_11 C1_11 C2_11 F2_11 -59.9(16) . . . . ?
O1_11 C1_11 C2_11 F1_11 -58(2) . . . . ?
C3_11 C1_11 C2_11 F1_11 179.4(17) . . . . ?
C4_11 C1_11 C2_11 F1_11 58.7(18) . . . . ?
O1_11 C1_11 C2_11 F3_11 65.6(16) . . . . ?
C3_11 C1_11 C2_11 F3_11 -57.4(14) . . . . ?
C4_11 C1_11 C2_11 F3_11 -178.1(12) . . . . ?
O1_11 C1_11 C3_11 F5_11 -56.2(18) . . . . ?
C2_11 C1_11 C3_11 F5_11 64.9(16) . . . . ?
C4_11 C1_11 C3_11 F5_11 -175.6(14) . . . . ?
O1_11 C1_11 C3_11 F6_11 -176.2(15) . . . . ?
C2_11 C1_11 C3_11 F6_11 -55.1(16) . . . . ?
C4_11 C1_11 C3_11 F6_11 64.4(16) . . . . ?
O1_11 C1_11 C3_11 F4_11 65.8(17) . . . . ?
C2_11 C1_11 C3_11 F4_11 -173.2(15) . . . . ?
C4_11 C1_11 C3_11 F4_11 -53.6(17) . . . . ?
O1_11 C1_11 C4_11 F9_11 59.3(16) . . . . ?
C3_11 C1_11 C4_11 F9_11 -178.4(13) . . . . ?
C2_11 C1_11 C4_11 F9_11 -58.1(15) . . . . ?
O1_11 C1_11 C4_11 F7_11 -62.3(16) . . . . ?
C3_11 C1_11 C4_11 F7_11 60.1(15) . . . . ?
C2_11 C1_11 C4_11 F7_11 -179.6(13) . . . . ?
O1_11 C1_11 C4_11 F8_11 177.1(13) . . . . ?
C3_11 C1_11 C4_11 F8_11 -60.5(14) . . . . ?
C2_11 C1_11 C4_11 F8_11 59.8(14) . . . . ?
Al1 O1_10 C1_10 C3_10 162.7(16) . . . . ?
Al1 O1_10 C1_10 C4_10 -78.9(19) . . . . ?
Al1 O1_10 C1_10 C2_10 42(2) . . . . ?
O1_10 C1_10 C2_10 F1_10 -75.5(12) . . . . ?
C3_10 C1_10 C2_10 F1_10 164.9(9) . . . . ?
C4_10 C1_10 C2_10 F1_10 45.2(11) . . . . ?
O1_10 C1_10 C2_10 F2_10 162.2(11) . . . . ?
C3_10 C1_10 C2_10 F2_10 42.6(12) . . . . ?
C4_10 C1_10 C2_10 F2_10 -77.1(11) . . . . ?
O1_10 C1_10 C2_10 F3_10 43.2(14) . . . . ?
C3_10 C1_10 C2_10 F3_10 -76.4(11) . . . . ?
C4_10 C1_10 C2_10 F3_10 163.8(9) . . . . ?
O1_10 C1_10 C3_10 F4_10 44.3(15) . . . . ?
C4_10 C1_10 C3_10 F4_10 -73.2(15) . . . . ?
C2_10 C1_10 C3_10 F4_10 167.4(13) . . . . ?
O1_10 C1_10 C3_10 F5_10 -79.3(13) . . . . ?
C4_10 C1_10 C3_10 F5_10 163.3(11) . . . . ?
C2_10 C1_10 C3_10 F5_10 43.9(13) . . . . ?
O1_10 C1_10 C3_10 F6_10 160.5(11) . . . . ?
C4_10 C1_10 C3_10 F6_10 43.0(13) . . . . ?
C2_10 C1_10 C3_10 F6_10 -76.4(12) . . . . ?
O1_10 C1_10 C4_10 F9_10 48.4(14) . . . . ?
C3_10 C1_10 C4_10 F9_10 165.5(12) . . . . ?
C2_10 C1_10 C4_10 F9_10 -75.2(13) . . . . ?
O1_10 C1_10 C4_10 F8_10 169.2(11) . . . . ?
C3_10 C1_10 C4_10 F8_10 -73.8(13) . . . . ?
C2_10 C1_10 C4_10 F8_10 45.6(13) . . . . ?
O1_10 C1_10 C4_10 F7_10 -71.3(12) . . . . ?
C3_10 C1_10 C4_10 F7_10 45.7(12) . . . . ?
C2_10 C1_10 C4_10 F7_10 165.0(9) . . . . ?
Ag Cl1_9 C1_9 Cl2_9 22.4(5) . . . . ?
Ag Cl2_8 C1_8 Cl1_8 23.0(6) . . . . ?
Ag Cl2_7 C1_7 Cl1_7 1.8(5) . . . . ?
Ag Cl1_6 C1_6 Cl2_6 -42.0(8) . . . . ?
Al1 O1_4 C1_4 C2_4 -169.5(11) . . . . ?
Al1 O1_4 C1_4 C3_4 -49.9(15) . . . . ?
Al1 O1_4 C1_4 C4_4 70.2(14) . . . . ?
O1_4 C1_4 C2_4 F1_4 -45.5(8) . . . . ?
C3_4 C1_4 C2_4 F1_4 -166.9(6) . . . . ?
C4_4 C1_4 C2_4 F1_4 74.9(8) . . . . ?
O1_4 C1_4 C2_4 F3_4 74.2(8) . . . . ?
C3_4 C1_4 C2_4 F3_4 -47.2(8) . . . . ?
C4_4 C1_4 C2_4 F3_4 -165.4(6) . . . . ?
O1_4 C1_4 C2_4 F2_4 -162.6(7) . . . . ?
C3_4 C1_4 C2_4 F2_4 76.0(8) . . . . ?
C4_4 C1_4 C2_4 F2_4 -42.2(9) . . . . ?
O1_4 C1_4 C3_4 F6_4 -164.9(6) . . . . ?
C2_4 C1_4 C3_4 F6_4 -45.2(8) . . . . ?
C4_4 C1_4 C3_4 F6_4 74.0(8) . . . . ?
O1_4 C1_4 C3_4 F5_4 -43.7(8) . . . . ?
C2_4 C1_4 C3_4 F5_4 76.0(8) . . . . ?
C4_4 C1_4 C3_4 F5_4 -164.8(7) . . . . ?
O1_4 C1_4 C3_4 F4_4 74.2(8) . . . . ?
C2_4 C1_4 C3_4 F4_4 -166.2(6) . . . . ?
C4_4 C1_4 C3_4 F4_4 -47.0(8) . . . . ?
O1_4 C1_4 C4_4 F7_4 -47.0(8) . . . . ?
C2_4 C1_4 C4_4 F7_4 -166.5(6) . . . . ?
C3_4 C1_4 C4_4 F7_4 75.1(8) . . . . ?
O1_4 C1_4 C4_4 F8_4 -165.7(6) . . . . ?
C2_4 C1_4 C4_4 F8_4 74.7(8) . . . . ?
C3_4 C1_4 C4_4 F8_4 -43.7(8) . . . . ?
O1_4 C1_4 C4_4 F9_4 72.1(8) . . . . ?
C2_4 C1_4 C4_4 F9_4 -47.4(8) . . . . ?
C3_4 C1_4 C4_4 F9_4 -165.9(6) . . . . ?
Al1 O1_2 C1_2 C2_2 30(8) . . . . ?
Al1 O1_2 C1_2 C3_2 149(7) . . . . ?
Al1 O1_2 C1_2 C4_2 -91(8) . . . . ?
O1_2 C1_2 C2_2 F1_2 -38(3) . . . . ?
C3_2 C1_2 C2_2 F1_2 -155(2) . . . . ?
C4_2 C1_2 C2_2 F1_2 83(2) . . . . ?
O1_2 C1_2 C2_2 F2_2 -158(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 85(3) . . . . ?
C4_2 C1_2 C2_2 F2_2 -37(3) . . . . ?
O1_2 C1_2 C2_2 F3_2 83(2) . . . . ?
C3_2 C1_2 C2_2 F3_2 -35(2) . . . . ?
C4_2 C1_2 C2_2 F3_2 -157(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 75(2) . . . . ?
C2_2 C1_2 C3_2 F4_2 -164.1(19) . . . . ?
C4_2 C1_2 C3_2 F4_2 -43(2) . . . . ?
O1_2 C1_2 C3_2 F6_2 -165(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -43(2) . . . . ?
C4_2 C1_2 C3_2 F6_2 78(2) . . . . ?
O1_2 C1_2 C3_2 F5_2 -47(3) . . . . ?
C2_2 C1_2 C3_2 F5_2 74(2) . . . . ?
C4_2 C1_2 C3_2 F5_2 -165(2) . . . . ?
O1_2 C1_2 C4_2 F9_2 72(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -51(2) . . . . ?
C3_2 C1_2 C4_2 F9_2 -171.8(18) . . . . ?
O1_2 C1_2 C4_2 F8_2 -168(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 69(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -51(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 -50(3) . . . . ?
C2_2 C1_2 C4_2 F7_2 -172(2) . . . . ?
C3_2 C1_2 C4_2 F7_2 67(2) . . . . ?
Al1 O1_1 C1_1 C3_1 37(2) . . . . ?
Al1 O1_1 C1_1 C4_1 155.5(16) . . . . ?
Al1 O1_1 C1_1 C2_1 -85.6(19) . . . . ?
O1_1 C1_1 C2_1 F1_1 -76.0(10) . . . . ?
C3_1 C1_1 C2_1 F1_1 160.3(8) . . . . ?
C4_1 C1_1 C2_1 F1_1 43.0(10) . . . . ?
O1_1 C1_1 C2_1 F2_1 160.9(10) . . . . ?
C3_1 C1_1 C2_1 F2_1 37.3(11) . . . . ?
C4_1 C1_1 C2_1 F2_1 -80.0(11) . . . . ?
O1_1 C1_1 C2_1 F3_1 44.0(11) . . . . ?
C3_1 C1_1 C2_1 F3_1 -79.7(9) . . . . ?
C4_1 C1_1 C2_1 F3_1 163.1(8) . . . . ?
O1_1 C1_1 C3_1 F4_1 43.0(11) . . . . ?
C4_1 C1_1 C3_1 F4_1 -76.2(9) . . . . ?
C2_1 C1_1 C3_1 F4_1 166.0(8) . . . . ?
O1_1 C1_1 C3_1 F6_1 164.2(10) . . . . ?
C4_1 C1_1 C3_1 F6_1 45.0(11) . . . . ?
C2_1 C1_1 C3_1 F6_1 -72.8(11) . . . . ?
O1_1 C1_1 C3_1 F5_1 -76.1(9) . . . . ?
C4_1 C1_1 C3_1 F5_1 164.6(7) . . . . ?
C2_1 C1_1 C3_1 F5_1 46.9(9) . . . . ?
O1_1 C1_1 C4_1 F7_1 -75.5(10) . . . . ?
C3_1 C1_1 C4_1 F7_1 45.7(10) . . . . ?
C2_1 C1_1 C4_1 F7_1 164.2(8) . . . . ?
O1_1 C1_1 C4_1 F9_1 45.3(11) . . . . ?
C3_1 C1_1 C4_1 F9_1 166.5(8) . . . . ?
C2_1 C1_1 C4_1 F9_1 -75.0(10) . . . . ?
O1_1 C1_1 C4_1 F8_1 162.2(10) . . . . ?
C3_1 C1_1 C4_1 F8_1 -76.6(10) . . . . ?
C2_1 C1_1 C4_1 F8_1 41.9(11) . . . . ?
C1_3 O1_3 Al1 O1_4 60.4(15) . . . . ?
C1_3 O1_3 Al1 O1_1 -60.5(16) . . . . ?
C1_3 O1_3 Al1 O1_10 179.2(15) . . . . ?
C1_2 O1_2 Al1 O1_4 171(7) . . . . ?
C1_2 O1_2 Al1 O1_11 44(8) . . . . ?
C1_4 O1_4 Al1 O1_3 -134.4(13) . . . . ?
C1_4 O1_4 Al1 O1_2 -5(2) . . . . ?
C1_4 O1_4 Al1 O1_11 116.7(14) . . . . ?
C1_4 O1_4 Al1 O1_1 -12.2(14) . . . . ?
C1_4 O1_4 Al1 O1_10 103.9(14) . . . . ?
C1_11 O1_11 Al1 O1_2 150(3) . . . . ?
C1_11 O1_11 Al1 O1_4 27(3) . . . . ?
C1_1 O1_1 Al1 O1_3 -94.3(18) . . . . ?
C1_1 O1_1 Al1 O1_4 144.0(17) . . . . ?
C1_1 O1_1 Al1 O1_10 28(2) . . . . ?
C1_10 O1_10 Al1 O1_3 -36(2) . . . . ?
C1_10 O1_10 Al1 O1_4 85.2(18) . . . . ?
C1_10 O1_10 Al1 O1_1 -157.9(18) . . . . ?

####################################################################### 
# 
# 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_IKpjm_CH2Cl2_3_PF_2_twin1_hklf5
_database_code_depnum_ccdc_archive 'CCDC 1960202'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H4 Ag Al Cl6 F36 O4'
_chemical_formula_weight         1327.77

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'
Cl Cl 0.1484 0.1585 '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'

_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                   9.9840(4)
_cell_length_b                   13.2483(4)
_cell_length_c                   15.0662(4)
_cell_angle_alpha                86.439(2)
_cell_angle_beta                 87.425(3)
_cell_angle_gamma                79.209(3)
_cell_volume                     1952.68(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    26537
_cell_measurement_theta_min      2.6950
_cell_measurement_theta_max      31.0960

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.258
_exptl_crystal_F_000             1272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.153
_shelx_estimated_absorpt_T_min   0.811
_shelx_estimated_absorpt_T_max   0.903
_exptl_absorpt_correction_T_min  0.81636
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20950
_diffrn_reflns_av_unetI/netI     0.0109
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.015
_diffrn_reflns_theta_max         31.145
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.866
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.866
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.866
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             20950
_reflns_number_gt                18076
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'APEX2 v2013.10-0'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0450P)²+5.3735P] 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         20950
_refine_ls_number_parameters     855
_refine_ls_number_restraints     6110
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_ref         0.1569
_refine_ls_wR_factor_gt          0.1478
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_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 0.08451(19) 0.29572(14) 0.25921(5) 0.0471(3) Uani 0.823(6) 1 d . U P A 1
Ag2 Ag 0.1279(7) 0.2639(5) 0.2567(3) 0.0471(3) Uani 0.177(6) 1 d . U P A 2
Al1 Al 0.57425(11) 0.24760(9) 0.74561(7) 0.0166(2) Uani 1 1 d . . . . .
Cl1 Cl 0.09853(13) 0.14086(9) 0.12667(9) 0.0381(3) Uani 1 1 d . . . . .
Cl2 Cl 0.11327(14) 0.41137(11) 0.39394(9) 0.0434(3) Uani 1 1 d . . . . .
Cl3 Cl -0.10616(15) 0.18023(11) 0.26990(9) 0.0464(3) Uani 1 1 d . . . . .
Cl4 Cl 0.2741(2) 0.20516(14) 0.39008(13) 0.0695(5) Uani 1 1 d . . . . .
C1 C -0.0384(5) 0.0968(4) 0.1853(3) 0.0300(9) Uani 1 1 d . . . . .
H1A H -0.006227 0.026753 0.212119 0.036 Uiso 1 1 calc R U . . .
H1B H -0.110792 0.092879 0.143498 0.036 Uiso 1 1 calc R U . . .
C2 C 0.2281(6) 0.3151(5) 0.4518(4) 0.0438(13) Uani 1 1 d . . . . .
H2A H 0.310981 0.342084 0.464045 0.053 Uiso 1 1 calc R U . . .
H2AB H 0.185321 0.296326 0.509482 0.053 Uiso 1 1 calc R U . . .
O1_1 O 0.7034(7) 0.2342(5) 0.6647(3) 0.0211(9) Uani 0.896(5) 1 d D U P B 1
C1_1 C 0.7500(5) 0.2010(4) 0.5843(4) 0.0220(8) Uani 0.896(5) 1 d D U P B 1
C2_1 C 0.8327(5) 0.0899(4) 0.5937(3) 0.0321(11) Uani 0.896(5) 1 d D U P B 1
F1_1 F 0.9545(4) 0.0880(3) 0.6280(2) 0.0475(10) Uani 0.896(5) 1 d D U P B 1
F2_1 F 0.8553(7) 0.0445(6) 0.5162(4) 0.0441(15) Uani 0.896(5) 1 d D U P B 1
F3_1 F 0.7681(4) 0.0307(3) 0.6493(3) 0.0421(9) Uani 0.896(5) 1 d D U P B 1
C3_1 C 0.6319(5) 0.2031(4) 0.5198(4) 0.0298(11) Uani 0.896(5) 1 d D U P B 1
F4_1 F 0.5371(4) 0.2876(3) 0.5299(3) 0.0429(10) Uani 0.896(5) 1 d D U P B 1
F5_1 F 0.5713(3) 0.1227(3) 0.5379(2) 0.0420(9) Uani 0.896(5) 1 d D U P B 1
F6_1 F 0.6725(7) 0.2026(5) 0.4343(3) 0.0411(15) Uani 0.896(5) 1 d D U P B 1
C4_1 C 0.8442(6) 0.2749(5) 0.5446(3) 0.0349(12) Uani 0.896(5) 1 d D U P B 1
F7_1 F 0.7706(5) 0.3649(3) 0.5186(2) 0.0501(10) Uani 0.896(5) 1 d D U P B 1
F8_1 F 0.9201(8) 0.2371(7) 0.4738(3) 0.0482(16) Uani 0.896(5) 1 d D U P B 1
F9_1 F 0.9302(6) 0.2915(4) 0.6040(4) 0.0471(12) Uani 0.896(5) 1 d D U P B 1
O1_2 O 0.4422(3) 0.3495(2) 0.72126(18) 0.0232(6) Uani 1 1 d D U . . .
C1_2 C 0.3986(4) 0.4521(3) 0.7260(2) 0.0256(8) Uani 1 1 d D U . . .
C2_2 C 0.3810(5) 0.4844(3) 0.8242(3) 0.0286(9) Uani 1 1 d D U . . .
F1_2 F 0.3321(3) 0.4143(2) 0.87566(18) 0.0427(7) Uani 1 1 d D U . . .
F2_2 F 0.2960(3) 0.5743(2) 0.83155(19) 0.0433(8) Uani 1 1 d D U . . .
F3_2 F 0.4990(3) 0.4932(2) 0.85706(19) 0.0380(6) Uani 1 1 d D U . . .
C3_2 C 0.5008(6) 0.5134(4) 0.6761(3) 0.0414(11) Uani 1 1 d D U . . .
F4_2 F 0.4937(5) 0.5096(3) 0.5889(2) 0.0628(11) Uani 1 1 d D U . . .
F5_2 F 0.6280(3) 0.4729(3) 0.6977(2) 0.0499(8) Uani 1 1 d D U . . .
F6_2 F 0.4770(4) 0.6127(2) 0.6944(2) 0.0580(10) Uani 1 1 d D U . . .
C4_2 C 0.2573(5) 0.4801(4) 0.6828(3) 0.0435(13) Uani 1 1 d D U . . .
F7_2 F 0.2609(4) 0.4364(3) 0.6055(2) 0.0605(11) Uani 1 1 d D U . . .
F8_2 F 0.2157(4) 0.5809(3) 0.6668(2) 0.0600(11) Uani 1 1 d D U . . .
F9_2 F 0.1619(3) 0.4463(3) 0.7349(3) 0.0566(9) Uani 1 1 d D U . . .
O1_3 O 0.6407(3) 0.2765(2) 0.84302(17) 0.0210(5) Uani 1 1 d D U . . .
C1_3 C 0.7473(4) 0.2505(3) 0.8974(2) 0.0216(7) Uani 1 1 d D U . . .
C2_3 C 0.7025(5) 0.3005(3) 0.9876(3) 0.0290(9) Uani 1 1 d D U . . .
F1_3 F 0.7036(4) 0.4008(2) 0.98018(19) 0.0446(8) Uani 1 1 d D U . . .
F2_3 F 0.7860(3) 0.2593(2) 1.05302(17) 0.0380(7) Uani 1 1 d D U . . .
F3_3 F 0.5780(3) 0.2889(3) 1.01261(18) 0.0437(8) Uani 1 1 d D U . . .
C3_3 C 0.7851(5) 0.1327(3) 0.9142(3) 0.0315(9) Uani 1 1 d D U . . .
F4_3 F 0.7856(3) 0.0878(2) 0.83710(19) 0.0428(8) Uani 1 1 d D U . . .
F5_3 F 0.6941(4) 0.0971(2) 0.9685(2) 0.0463(8) Uani 1 1 d D U . . .
F6_3 F 0.9074(3) 0.1011(2) 0.9490(2) 0.0461(8) Uani 1 1 d D U . . .
C4_3 C 0.8733(5) 0.2924(4) 0.8572(3) 0.0367(10) Uani 1 1 d D U . . .
F7_3 F 0.9383(3) 0.2315(3) 0.7958(2) 0.0512(9) Uani 1 1 d D U . . .
F8_3 F 0.9642(3) 0.2973(3) 0.9195(2) 0.0482(8) Uani 1 1 d D U . . .
F9_3 F 0.8374(4) 0.3854(3) 0.8194(2) 0.0526(9) Uani 1 1 d D U . . .
O1_4 O 0.5093(6) 0.1353(5) 0.7562(5) 0.0245(8) Uani 0.903(5) 1 d D U P B 1
C1_4 C 0.4042(6) 0.0869(4) 0.7793(3) 0.0255(8) Uani 0.903(5) 1 d D U P B 1
C2_4 C 0.3200(6) 0.0817(5) 0.6957(4) 0.0393(13) Uani 0.903(5) 1 d D U P B 1
F1_4 F 0.2984(5) 0.1732(4) 0.6503(3) 0.0497(11) Uani 0.903(5) 1 d D U P B 1
F2_4 F 0.1990(7) 0.0569(6) 0.7167(6) 0.0557(18) Uani 0.903(5) 1 d D U P B 1
F3_4 F 0.3857(5) 0.0130(4) 0.6410(2) 0.0544(11) Uani 0.903(5) 1 d D U P B 1
C3_4 C 0.4645(5) -0.0248(4) 0.8140(3) 0.0320(11) Uani 0.903(5) 1 d D U P B 1
F4_4 F 0.5096(4) -0.0254(3) 0.8959(2) 0.0429(9) Uani 0.903(5) 1 d D U P B 1
F5_4 F 0.5708(6) -0.0655(5) 0.7627(4) 0.0445(13) Uani 0.903(5) 1 d D U P B 1
F6_4 F 0.3734(7) -0.0869(5) 0.8173(4) 0.0434(14) Uani 0.903(5) 1 d D U P B 1
C4_4 C 0.3092(5) 0.1420(4) 0.8530(4) 0.0349(12) Uani 0.903(5) 1 d D U P B 1
F7_4 F 0.3827(6) 0.1704(4) 0.9151(3) 0.0477(12) Uani 0.903(5) 1 d D U P B 1
F8_4 F 0.2273(5) 0.0827(7) 0.8931(5) 0.0478(17) Uani 0.903(5) 1 d D U P B 1
F9_4 F 0.2299(3) 0.2269(3) 0.8193(3) 0.0506(11) Uani 0.903(5) 1 d D U P B 1
Cl1_5 Cl 0.0101(4) 0.4252(3) 0.1094(2) 0.0369(6) Uani 0.794(12) 1 d D U P A 1
Cl2_5 Cl 0.2951(4) 0.3401(4) 0.1346(3) 0.0580(9) Uani 0.794(12) 1 d D U P A 1
C1_5 C 0.1708(8) 0.3885(8) 0.0555(5) 0.0421(18) Uani 0.794(12) 1 d D U P A 1
Cl1_6 Cl 0.0606(19) 0.4194(11) 0.1171(10) 0.052(3) Uani 0.206(12) 1 d D U P A 2
Cl2_6 Cl 0.3284(13) 0.3040(13) 0.1554(10) 0.0580(9) Uani 0.206(12) 1 d D U P A
2
C1_6 C 0.224(2) 0.371(3) 0.0708(13) 0.039(7) Uani 0.206(12) 1 d D U P A 2
O1_7 O 0.504(5) 0.143(4) 0.749(4) 0.0245(8) Uani 0.097(5) 1 d D U P B 2
C1_7 C 0.399(3) 0.093(2) 0.7700(18) 0.0255(8) Uani 0.097(5) 1 d D U P B 2
C2_7 C 0.445(3) -0.023(2) 0.7526(19) 0.031(6) Uani 0.097(5) 1 d D U P B 2
F1_7 F 0.451(4) -0.032(3) 0.6652(19) 0.056(9) Uani 0.097(5) 1 d D U P B 2
F2_7 F 0.360(5) -0.081(4) 0.789(3) 0.042(11) Uani 0.097(5) 1 d D U P B 2
F3_7 F 0.568(4) -0.059(4) 0.785(4) 0.047(13) Uani 0.097(5) 1 d D U P B 2
C3_7 C 0.355(4) 0.104(3) 0.8694(19) 0.047(8) Uani 0.097(5) 1 d D U P B 2
F4_7 F 0.350(6) 0.200(3) 0.892(3) 0.057(13) Uani 0.097(5) 1 d D U P B 2
F5_7 F 0.443(4) 0.042(3) 0.921(2) 0.060(10) Uani 0.097(5) 1 d D U P B 2
F6_7 F 0.233(5) 0.079(6) 0.886(5) 0.058(16) Uani 0.097(5) 1 d D U P B 2
C4_7 C 0.275(3) 0.137(2) 0.712(2) 0.042(6) Uani 0.097(5) 1 d D U P B 2
F7_7 F 0.212(3) 0.227(2) 0.740(3) 0.057(8) Uani 0.097(5) 1 d D U P B 2
F8_7 F 0.184(5) 0.075(4) 0.718(5) 0.046(11) Uani 0.097(5) 1 d D U P B 2
F9_7 F 0.311(5) 0.149(4) 0.627(2) 0.0497(11) Uani 0.097(5) 1 d D U P B 2
O1_8 O 0.708(6) 0.221(5) 0.668(3) 0.0211(9) Uani 0.104(5) 1 d D U P B 2
C1_8 C 0.751(3) 0.191(2) 0.585(2) 0.0220(8) Uani 0.104(5) 1 d D U P B 2
C2_8 C 0.768(3) 0.072(2) 0.584(2) 0.045(7) Uani 0.104(5) 1 d D U P B 2
F1_8 F 0.839(4) 0.028(3) 0.652(2) 0.062(11) Uani 0.104(5) 1 d D U P B 2
F2_8 F 0.837(6) 0.038(5) 0.510(3) 0.050(14) Uani 0.104(5) 1 d D U P B 2
F3_8 F 0.648(3) 0.044(2) 0.583(2) 0.056(8) Uani 0.104(5) 1 d D U P B 2
C3_8 C 0.646(3) 0.242(2) 0.516(2) 0.040(8) Uani 0.104(5) 1 d D U P B 2
F4_8 F 0.647(4) 0.341(2) 0.499(2) 0.072(11) Uani 0.104(5) 1 d D U P B 2
F5_8 F 0.521(3) 0.231(3) 0.546(2) 0.050(8) Uani 0.104(5) 1 d D U P B 2
F6_8 F 0.667(7) 0.196(5) 0.439(3) 0.059(17) Uani 0.104(5) 1 d D U P B 2
C4_8 C 0.892(3) 0.222(3) 0.563(2) 0.044(7) Uani 0.104(5) 1 d D U P B 2
F7_8 F 0.888(5) 0.318(3) 0.586(4) 0.074(15) Uani 0.104(5) 1 d D U P B 2
F8_8 F 0.927(7) 0.216(6) 0.477(2) 0.054(14) Uani 0.104(5) 1 d D U P B 2
F9_8 F 0.989(3) 0.161(4) 0.608(2) 0.071(10) Uani 0.104(5) 1 d D U P B 2


_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 Cl3 2.6501(16) . ?
Ag1 Cl2 2.6746(16) . ?
Ag1 Cl1_5 2.789(4) . ?
Ag1 Cl4 2.846(2) . ?
Ag1 Cl2_5 2.875(3) . ?
Ag2 Cl4 2.533(6) . ?
Ag2 Cl2_6 2.578(13) . ?
Ag2 Cl1 2.685(5) . ?
Ag2 Cl3 2.762(5) . ?
Ag2 Cl1_6 2.862(15) . ?
Ag2 Cl2 2.912(5) . ?
Al1 O1_7 1.67(4) . ?
Al1 O1_1 1.726(6) . ?
Al1 O1_4 1.726(5) . ?
Al1 O1_3 1.730(3) . ?
Al1 O1_2 1.735(3) . ?
Al1 O1_8 1.74(5) . ?
Cl1 C1 1.766(5) . ?
Cl2 C2 1.762(6) . ?
Cl3 C1 1.767(5) . ?
Cl4 C2 1.753(5) . ?
O1_1 C1_1 1.347(5) . ?
C1_1 C2_1 1.549(7) . ?
C1_1 C4_1 1.556(7) . ?
C1_1 C3_1 1.558(6) . ?
C2_1 F2_1 1.337(6) . ?
C2_1 F1_1 1.338(6) . ?
C2_1 F3_1 1.339(7) . ?
C3_1 F5_1 1.328(7) . ?
C3_1 F6_1 1.334(7) . ?
C3_1 F4_1 1.336(6) . ?
C4_1 F9_1 1.323(7) . ?
C4_1 F7_1 1.324(7) . ?
C4_1 F8_1 1.347(7) . ?
O1_2 C1_2 1.353(5) . ?
C1_2 C4_2 1.552(6) . ?
C1_2 C3_2 1.559(7) . ?
C1_2 C2_2 1.560(5) . ?
C2_2 F1_2 1.322(5) . ?
C2_2 F3_2 1.326(5) . ?
C2_2 F2_2 1.334(5) . ?
C3_2 F4_2 1.323(6) . ?
C3_2 F5_2 1.329(6) . ?
C3_2 F6_2 1.336(6) . ?
C4_2 F7_2 1.328(5) . ?
C4_2 F9_2 1.331(7) . ?
C4_2 F8_2 1.332(6) . ?
O1_3 C1_3 1.352(4) . ?
C1_3 C3_3 1.543(6) . ?
C1_3 C4_3 1.552(6) . ?
C1_3 C2_3 1.559(5) . ?
C2_3 F3_3 1.316(6) . ?
C2_3 F1_3 1.329(5) . ?
C2_3 F2_3 1.343(5) . ?
C3_3 F5_3 1.327(6) . ?
C3_3 F6_3 1.334(5) . ?
C3_3 F4_3 1.336(5) . ?
C4_3 F9_3 1.318(6) . ?
C4_3 F7_3 1.331(6) . ?
C4_3 F8_3 1.348(5) . ?
O1_4 C1_4 1.351(6) . ?
C1_4 C4_4 1.554(7) . ?
C1_4 C3_4 1.557(7) . ?
C1_4 C2_4 1.558(7) . ?
C2_4 F3_4 1.326(7) . ?
C2_4 F2_4 1.330(7) . ?
C2_4 F1_4 1.340(7) . ?
C3_4 F4_4 1.331(6) . ?
C3_4 F6_4 1.333(7) . ?
C3_4 F5_4 1.334(7) . ?
C4_4 F7_4 1.328(7) . ?
C4_4 F9_4 1.334(7) . ?
C4_4 F8_4 1.337(7) . ?
Cl1_5 C1_5 1.764(7) . ?
Cl2_5 C1_5 1.764(7) . ?
Cl1_6 C1_6 1.766(12) . ?
Cl2_6 C1_6 1.770(12) . ?
O1_7 C1_7 1.35(2) . ?
C1_7 C3_7 1.550(18) . ?
C1_7 C4_7 1.553(18) . ?
C1_7 C2_7 1.553(18) . ?
C2_7 F2_7 1.328(18) . ?
C2_7 F1_7 1.329(18) . ?
C2_7 F3_7 1.333(18) . ?
C3_7 F4_7 1.329(19) . ?
C3_7 F6_7 1.330(19) . ?
C3_7 F5_7 1.331(19) . ?
C4_7 F9_7 1.326(18) . ?
C4_7 F7_7 1.328(18) . ?
C4_7 F8_7 1.336(19) . ?
O1_8 C1_8 1.35(2) . ?
C1_8 C3_8 1.549(18) . ?
C1_8 C4_8 1.553(18) . ?
C1_8 C2_8 1.555(18) . ?
C2_8 F1_8 1.322(18) . ?
C2_8 F3_8 1.322(18) . ?
C2_8 F2_8 1.336(19) . ?
C3_8 F4_8 1.324(18) . ?
C3_8 F6_8 1.330(19) . ?
C3_8 F5_8 1.337(18) . ?
C4_8 F9_8 1.326(19) . ?
C4_8 F8_8 1.328(19) . ?
C4_8 F7_8 1.330(19) . ?

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
Cl3 Ag1 Cl2 119.98(6) . . ?
Cl3 Ag1 Cl1_5 102.14(9) . . ?
Cl2 Ag1 Cl1_5 108.61(9) . . ?
Cl3 Ag1 Cl4 104.74(7) . . ?
Cl2 Ag1 Cl4 63.30(5) . . ?
Cl1_5 Ag1 Cl4 152.13(10) . . ?
Cl3 Ag1 Cl2_5 137.95(7) . . ?
Cl2 Ag1 Cl2_5 102.07(7) . . ?
Cl1_5 Ag1 Cl2_5 61.34(9) . . ?
Cl4 Ag1 Cl2_5 93.17(13) . . ?
Cl4 Ag2 Cl2_6 94.3(4) . . ?
Cl4 Ag2 Cl1 123.6(3) . . ?
Cl2_6 Ag2 Cl1 83.1(3) . . ?
Cl4 Ag2 Cl3 110.57(18) . . ?
Cl2_6 Ag2 Cl3 146.4(3) . . ?
Cl1 Ag2 Cl3 64.49(10) . . ?
Cl4 Ag2 Cl1_6 145.7(4) . . ?
Cl2_6 Ag2 Cl1_6 63.8(3) . . ?
Cl1 Ag2 Cl1_6 81.8(3) . . ?
Cl3 Ag2 Cl1_6 101.0(4) . . ?
Cl4 Ag2 Cl2 63.93(10) . . ?
Cl2_6 Ag2 Cl2 102.4(3) . . ?
Cl1 Ag2 Cl2 170.7(3) . . ?
Cl3 Ag2 Cl2 108.7(2) . . ?
Cl1_6 Ag2 Cl2 93.9(4) . . ?
O1_1 Al1 O1_4 108.5(3) . . ?
O1_7 Al1 O1_3 117(2) . . ?
O1_1 Al1 O1_3 108.1(3) . . ?
O1_4 Al1 O1_3 113.0(3) . . ?
O1_7 Al1 O1_2 105(2) . . ?
O1_1 Al1 O1_2 113.0(2) . . ?
O1_4 Al1 O1_2 108.7(2) . . ?
O1_3 Al1 O1_2 105.62(14) . . ?
O1_7 Al1 O1_8 103(3) . . ?
O1_3 Al1 O1_8 107.9(19) . . ?
O1_2 Al1 O1_8 118(2) . . ?
C1 Cl1 Ag2 91.96(19) . . ?
C2 Cl2 Ag1 95.36(17) . . ?
C2 Cl2 Ag2 85.9(2) . . ?
C1 Cl3 Ag1 97.66(16) . . ?
C1 Cl3 Ag2 89.4(2) . . ?
C2 Cl4 Ag2 98.9(3) . . ?
C2 Cl4 Ag1 89.80(19) . . ?
Cl1 C1 Cl3 110.7(3) . . ?
Cl4 C2 Cl2 111.2(3) . . ?
C1_1 O1_1 Al1 148.5(5) . . ?
O1_1 C1_1 C2_1 110.5(4) . . ?
O1_1 C1_1 C4_1 107.2(5) . . ?
C2_1 C1_1 C4_1 109.7(4) . . ?
O1_1 C1_1 C3_1 111.9(5) . . ?
C2_1 C1_1 C3_1 108.8(4) . . ?
C4_1 C1_1 C3_1 108.8(4) . . ?
F2_1 C2_1 F1_1 107.2(5) . . ?
F2_1 C2_1 F3_1 107.8(6) . . ?
F1_1 C2_1 F3_1 106.3(5) . . ?
F2_1 C2_1 C1_1 113.1(5) . . ?
F1_1 C2_1 C1_1 111.3(5) . . ?
F3_1 C2_1 C1_1 110.9(4) . . ?
F5_1 C3_1 F6_1 107.9(5) . . ?
F5_1 C3_1 F4_1 107.2(5) . . ?
F6_1 C3_1 F4_1 107.4(5) . . ?
F5_1 C3_1 C1_1 110.6(4) . . ?
F6_1 C3_1 C1_1 113.4(5) . . ?
F4_1 C3_1 C1_1 110.0(4) . . ?
F9_1 C4_1 F7_1 108.0(5) . . ?
F9_1 C4_1 F8_1 106.8(6) . . ?
F7_1 C4_1 F8_1 107.8(5) . . ?
F9_1 C4_1 C1_1 111.2(5) . . ?
F7_1 C4_1 C1_1 110.5(4) . . ?
F8_1 C4_1 C1_1 112.4(6) . . ?
C1_2 O1_2 Al1 144.7(3) . . ?
O1_2 C1_2 C4_2 107.7(4) . . ?
O1_2 C1_2 C3_2 111.1(3) . . ?
C4_2 C1_2 C3_2 110.0(4) . . ?
O1_2 C1_2 C2_2 111.7(3) . . ?
C4_2 C1_2 C2_2 108.1(3) . . ?
C3_2 C1_2 C2_2 108.2(4) . . ?
F1_2 C2_2 F3_2 106.9(4) . . ?
F1_2 C2_2 F2_2 108.1(4) . . ?
F3_2 C2_2 F2_2 107.7(4) . . ?
F1_2 C2_2 C1_2 110.5(4) . . ?
F3_2 C2_2 C1_2 111.7(4) . . ?
F2_2 C2_2 C1_2 111.7(3) . . ?
F4_2 C3_2 F5_2 107.5(4) . . ?
F4_2 C3_2 F6_2 107.1(4) . . ?
F5_2 C3_2 F6_2 108.1(5) . . ?
F4_2 C3_2 C1_2 110.8(4) . . ?
F5_2 C3_2 C1_2 110.4(4) . . ?
F6_2 C3_2 C1_2 112.8(4) . . ?
F7_2 C4_2 F9_2 107.6(5) . . ?
F7_2 C4_2 F8_2 107.1(4) . . ?
F9_2 C4_2 F8_2 107.3(4) . . ?
F7_2 C4_2 C1_2 110.3(4) . . ?
F9_2 C4_2 C1_2 110.8(4) . . ?
F8_2 C4_2 C1_2 113.5(5) . . ?
C1_3 O1_3 Al1 144.1(2) . . ?
O1_3 C1_3 C3_3 111.1(3) . . ?
O1_3 C1_3 C4_3 110.6(3) . . ?
C3_3 C1_3 C4_3 109.6(4) . . ?
O1_3 C1_3 C2_3 107.2(3) . . ?
C3_3 C1_3 C2_3 109.1(3) . . ?
C4_3 C1_3 C2_3 109.3(3) . . ?
F3_3 C2_3 F1_3 107.7(4) . . ?
F3_3 C2_3 F2_3 107.8(4) . . ?
F1_3 C2_3 F2_3 107.5(4) . . ?
F3_3 C2_3 C1_3 111.3(3) . . ?
F1_3 C2_3 C1_3 110.5(4) . . ?
F2_3 C2_3 C1_3 111.9(3) . . ?
F5_3 C3_3 F6_3 107.5(4) . . ?
F5_3 C3_3 F4_3 107.1(4) . . ?
F6_3 C3_3 F4_3 107.7(4) . . ?
F5_3 C3_3 C1_3 111.4(4) . . ?
F6_3 C3_3 C1_3 113.6(4) . . ?
F4_3 C3_3 C1_3 109.1(3) . . ?
F9_3 C4_3 F7_3 107.9(4) . . ?
F9_3 C4_3 F8_3 107.8(4) . . ?
F7_3 C4_3 F8_3 106.9(4) . . ?
F9_3 C4_3 C1_3 111.3(4) . . ?
F7_3 C4_3 C1_3 110.9(4) . . ?
F8_3 C4_3 C1_3 111.8(4) . . ?
C1_4 O1_4 Al1 149.2(5) . . ?
O1_4 C1_4 C4_4 112.1(5) . . ?
O1_4 C1_4 C3_4 108.0(5) . . ?
C4_4 C1_4 C3_4 109.2(4) . . ?
O1_4 C1_4 C2_4 109.4(5) . . ?
C4_4 C1_4 C2_4 109.4(5) . . ?
C3_4 C1_4 C2_4 108.7(4) . . ?
F3_4 C2_4 F2_4 107.7(6) . . ?
F3_4 C2_4 F1_4 107.4(5) . . ?
F2_4 C2_4 F1_4 107.7(6) . . ?
F3_4 C2_4 C1_4 111.4(5) . . ?
F2_4 C2_4 C1_4 112.3(5) . . ?
F1_4 C2_4 C1_4 110.0(5) . . ?
F4_4 C3_4 F6_4 107.1(4) . . ?
F4_4 C3_4 F5_4 106.9(5) . . ?
F6_4 C3_4 F5_4 108.4(6) . . ?
F4_4 C3_4 C1_4 110.7(4) . . ?
F6_4 C3_4 C1_4 112.8(5) . . ?
F5_4 C3_4 C1_4 110.8(5) . . ?
F7_4 C4_4 F9_4 107.4(5) . . ?
F7_4 C4_4 F8_4 107.8(6) . . ?
F9_4 C4_4 F8_4 107.5(5) . . ?
F7_4 C4_4 C1_4 110.3(5) . . ?
F9_4 C4_4 C1_4 110.8(4) . . ?
F8_4 C4_4 C1_4 112.9(6) . . ?
C1_5 Cl1_5 Ag1 92.8(3) . . ?
C1_5 Cl2_5 Ag1 90.0(3) . . ?
Cl1_5 C1_5 Cl2_5 110.0(4) . . ?
C1_6 Cl1_6 Ag2 85.6(8) . . ?
C1_6 Cl2_6 Ag2 94.8(8) . . ?
Cl1_6 C1_6 Cl2_6 109.3(10) . . ?
C1_7 O1_7 Al1 152(5) . . ?
O1_7 C1_7 C3_7 110(3) . . ?
O1_7 C1_7 C4_7 110(3) . . ?
C3_7 C1_7 C4_7 108.9(19) . . ?
O1_7 C1_7 C2_7 109(3) . . ?
C3_7 C1_7 C2_7 109.2(19) . . ?
C4_7 C1_7 C2_7 108.5(18) . . ?
F2_7 C2_7 F1_7 108(2) . . ?
F2_7 C2_7 F3_7 107(3) . . ?
F1_7 C2_7 F3_7 109(3) . . ?
F2_7 C2_7 C1_7 113(2) . . ?
F1_7 C2_7 C1_7 108(2) . . ?
F3_7 C2_7 C1_7 111(2) . . ?
F4_7 C3_7 F6_7 108(3) . . ?
F4_7 C3_7 F5_7 109(3) . . ?
F6_7 C3_7 F5_7 107(3) . . ?
F4_7 C3_7 C1_7 110(2) . . ?
F6_7 C3_7 C1_7 111(3) . . ?
F5_7 C3_7 C1_7 111(2) . . ?
F9_7 C4_7 F7_7 109(2) . . ?
F9_7 C4_7 F8_7 107(3) . . ?
F7_7 C4_7 F8_7 107(3) . . ?
F9_7 C4_7 C1_7 112(2) . . ?
F7_7 C4_7 C1_7 110(2) . . ?
F8_7 C4_7 C1_7 111(3) . . ?
C1_8 O1_8 Al1 148(4) . . ?
O1_8 C1_8 C3_8 110(3) . . ?
O1_8 C1_8 C4_8 109(3) . . ?
C3_8 C1_8 C4_8 110.5(19) . . ?
O1_8 C1_8 C2_8 110(3) . . ?
C3_8 C1_8 C2_8 108.5(19) . . ?
C4_8 C1_8 C2_8 108.9(19) . . ?
F1_8 C2_8 F3_8 111(3) . . ?
F1_8 C2_8 F2_8 106(3) . . ?
F3_8 C2_8 F2_8 107(3) . . ?
F1_8 C2_8 C1_8 110(2) . . ?
F3_8 C2_8 C1_8 111(2) . . ?
F2_8 C2_8 C1_8 111(3) . . ?
F4_8 C3_8 F6_8 108(3) . . ?
F4_8 C3_8 F5_8 109(2) . . ?
F6_8 C3_8 F5_8 107(3) . . ?
F4_8 C3_8 C1_8 113(2) . . ?
F6_8 C3_8 C1_8 112(3) . . ?
F5_8 C3_8 C1_8 109(2) . . ?
F9_8 C4_8 F8_8 107(3) . . ?
F9_8 C4_8 F7_8 108(3) . . ?
F8_8 C4_8 F7_8 109(3) . . ?
F9_8 C4_8 C1_8 111(2) . . ?
F8_8 C4_8 C1_8 112(3) . . ?
F7_8 C4_8 C1_8 109(2) . . ?

_refine_diff_density_max         0.932
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.104

####################################################################### 
# 
# 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_exp_1719_a
_database_code_depnum_ccdc_archive 'CCDC 1960458'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT112_exp_1719_a          
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem         B         91 %Fit  
RESPONSE: Investigation of the structure and diffraction data confirms
that this is pseudosymmetry as some atoms violate the symmetry element. 
Note, that as much as 28 atoms were excluded from this test owing disorder.
;
# end Validation Reply Form 
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 Al Cl9 Cu F36 N3 O4'
_chemical_formula_weight         1463.82

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   11.2034(5)
_cell_length_b                   15.9579(5)
_cell_length_c                   26.0862(7)
_cell_angle_alpha                90
_cell_angle_beta                 101.111(4)
_cell_angle_gamma                90
_cell_volume                     4576.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7882
_cell_measurement_theta_min      3.4180
_cell_measurement_theta_max      72.7530

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.125
_exptl_crystal_F_000             2816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    7.472
_shelx_estimated_absorpt_T_min   0.316
_shelx_estimated_absorpt_T_max   0.663
_exptl_absorpt_correction_T_min  0.49383
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33914
_diffrn_reflns_av_unetI/netI     0.0747
_diffrn_reflns_av_R_equivalents  0.0966
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.264
_diffrn_reflns_theta_max         73.516
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             8984
_reflns_number_gt                5452
_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       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.1405P)²+3.0621P] 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         8984
_refine_ls_number_parameters     800
_refine_ls_number_restraints     4402
_refine_ls_R_factor_all          0.1262
_refine_ls_R_factor_gt           0.0867
_refine_ls_wR_factor_ref         0.2776
_refine_ls_wR_factor_gt          0.2299
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      0.960
_refine_ls_shift/su_max          0.000
_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_5 O 0.4910(4) 0.6534(3) 0.38818(19) 0.0523(12) Uani 1 1 d D U . A 1
C1_5 C 0.4328(5) 0.5912(4) 0.3574(2) 0.0449(14) Uani 1 1 d D U . A 1
C2_5 C 0.2971(6) 0.6096(5) 0.3353(3) 0.0588(17) Uani 1 1 d D U . A 1
F1_5 F 0.2477(4) 0.6500(3) 0.37130(18) 0.0639(11) Uani 1 1 d D U . A 1
F2_5 F 0.2326(4) 0.5412(3) 0.32246(19) 0.0726(13) Uani 1 1 d D U . A 1
F3_5 F 0.2873(5) 0.6620(4) 0.29535(19) 0.0858(16) Uani 1 1 d D U . A 1
C3_5 C 0.4995(7) 0.5750(5) 0.3118(3) 0.0667(19) Uani 1 1 d D U . A 1
F4_5 F 0.6080(4) 0.5389(3) 0.3290(2) 0.0749(14) Uani 1 1 d D U . A 1
F5_5 F 0.5223(5) 0.6476(4) 0.28994(19) 0.0874(15) Uani 1 1 d D U . A 1
F6_5 F 0.4357(5) 0.5259(4) 0.2762(2) 0.102(2) Uani 1 1 d D U . A 1
C4_5 C 0.4422(7) 0.5139(5) 0.3928(3) 0.0660(19) Uani 1 1 d D U . A 1
F7_5 F 0.5535(4) 0.5049(3) 0.4216(2) 0.0854(16) Uani 1 1 d D U . A 1
F8_5 F 0.4203(5) 0.4416(3) 0.3658(3) 0.0949(17) Uani 1 1 d D U . A 1
F9_5 F 0.3627(5) 0.5182(4) 0.4249(2) 0.0850(15) Uani 1 1 d D U . A 1
O1_4 O 0.4712(5) 0.8205(3) 0.35913(16) 0.0522(12) Uani 1 1 d D U . . .
C1_4 C 0.4267(5) 0.8935(4) 0.3374(2) 0.0440(14) Uani 1 1 d D U . . .
C2_4 C 0.4473(7) 0.9660(4) 0.3781(3) 0.0611(17) Uani 1 1 d D U . . .
F1_4 F 0.3678(4) 0.9628(3) 0.40992(18) 0.0690(12) Uani 1 1 d D U . . .
F2_4 F 0.4379(5) 1.0408(3) 0.3559(2) 0.0807(15) Uani 1 1 d D U . . .
F3_4 F 0.5601(4) 0.9605(3) 0.40718(19) 0.0762(14) Uani 1 1 d D U . . .
C3_4 C 0.4924(7) 0.9127(5) 0.2922(3) 0.0659(19) Uani 1 1 d D U . . .
F4_4 F 0.5024(5) 0.8452(4) 0.26354(18) 0.0869(16) Uani 1 1 d D U . . .
F5_4 F 0.6047(4) 0.9415(3) 0.30886(19) 0.0741(14) Uani 1 1 d D U . . .
F6_4 F 0.4321(5) 0.9712(4) 0.26007(19) 0.0907(17) Uani 1 1 d D U . . .
C4_4 C 0.2884(6) 0.8847(5) 0.3170(2) 0.0594(17) Uani 1 1 d D U . . .
F7_4 F 0.2656(5) 0.8436(4) 0.27109(17) 0.0854(16) Uani 1 1 d D U . . .
F8_4 F 0.2319(4) 0.9589(3) 0.30828(19) 0.0758(14) Uani 1 1 d D U . . .
F9_4 F 0.2356(4) 0.8427(3) 0.35002(17) 0.0636(11) Uani 1 1 d D U . . .
O1_3 O 0.6415(4) 0.7673(3) 0.44929(16) 0.0453(11) Uani 1 1 d D U . . .
C1_3 C 0.7635(5) 0.7605(4) 0.4540(2) 0.0415(13) Uani 1 1 d D U . . .
C2_3 C 0.8233(6) 0.8293(4) 0.4917(2) 0.0557(16) Uani 1 1 d D U . . .
F1_3 F 0.7685(5) 0.9027(3) 0.4822(2) 0.0834(15) Uani 1 1 d D U . . .
F2_3 F 0.9403(4) 0.8422(3) 0.49033(17) 0.0663(12) Uani 1 1 d D U . . .
F3_3 F 0.8180(5) 0.8101(3) 0.54144(15) 0.0770(14) Uani 1 1 d D U . . .
C3_3 C 0.8079(6) 0.6740(4) 0.4769(3) 0.0584(17) Uani 1 1 d D U . . .
F4_3 F 0.7861(5) 0.6153(3) 0.4400(2) 0.0841(15) Uani 1 1 d D U . . .
F5_3 F 0.7514(4) 0.6526(3) 0.51537(19) 0.0732(13) Uani 1 1 d D U . . .
F6_3 F 0.9282(4) 0.6725(3) 0.49675(18) 0.0662(12) Uani 1 1 d D U . . .
C4_3 C 0.8017(6) 0.7713(5) 0.4008(2) 0.0597(17) Uani 1 1 d D U . . .
F7_3 F 0.7296(4) 0.7303(4) 0.36342(16) 0.0757(14) Uani 1 1 d D U . . .
F8_3 F 0.9167(4) 0.7477(3) 0.40116(17) 0.0706(14) Uani 1 1 d D U . . .
F9_3 F 0.7954(4) 0.8528(3) 0.38640(19) 0.0817(15) Uani 1 1 d D U . . .
O1_2 O 0.397(3) 0.773(2) 0.4523(7) 0.0445(11) Uani 0.433(7) 1 d D U P A 2
C1_2 C 0.3720(11) 0.7655(7) 0.5003(5) 0.0391(12) Uani 0.433(7) 1 d D U P A 2
C2_2 C 0.4543(11) 0.8212(8) 0.5404(4) 0.050(3) Uani 0.433(7) 1 d D U P A 2
F1_2 F 0.5646(11) 0.7877(8) 0.5560(6) 0.054(3) Uani 0.433(7) 1 d D U P A 2
F2_2 F 0.4081(13) 0.8356(8) 0.5834(3) 0.047(3) Uani 0.433(7) 1 d D U P A 2
F3_2 F 0.4744(17) 0.8971(10) 0.5223(7) 0.051(4) Uani 0.433(7) 1 d D U P A 2
C3_2 C 0.2383(11) 0.7911(8) 0.4978(5) 0.045(3) Uani 0.433(7) 1 d D U P A 2
F4_2 F 0.1641(19) 0.7569(12) 0.4561(6) 0.056(4) Uani 0.433(7) 1 d D U P A 2
F5_2 F 0.2272(11) 0.8743(6) 0.4955(4) 0.058(3) Uani 0.433(7) 1 d D U P A 2
F6_2 F 0.197(2) 0.7655(15) 0.5402(7) 0.046(4) Uani 0.433(7) 1 d D U P A 2
C4_2 C 0.3869(11) 0.6730(7) 0.5199(4) 0.045(3) Uani 0.433(7) 1 d D U P A 2
F7_2 F 0.2930(10) 0.6269(7) 0.4955(4) 0.054(3) Uani 0.433(7) 1 d D U P A 2
F8_2 F 0.3899(18) 0.6659(10) 0.5706(4) 0.053(4) Uani 0.433(7) 1 d D U P A 2
F9_2 F 0.4860(16) 0.6437(12) 0.5051(7) 0.048(4) Uani 0.433(7) 1 d D U P A 2
O1_1 O 0.398(2) 0.7737(16) 0.4508(6) 0.0445(11) Uani 0.567(7) 1 d D U P A 1
C1_1 C 0.3716(9) 0.7727(6) 0.4988(4) 0.0391(12) Uani 0.567(7) 1 d D U P A 1
C2_1 C 0.2386(9) 0.7427(6) 0.4940(4) 0.048(2) Uani 0.567(7) 1 d D U P A 1
F1_1 F 0.1686(15) 0.7777(9) 0.4516(6) 0.058(3) Uani 0.567(7) 1 d D U P A 1
F2_1 F 0.187(2) 0.7616(13) 0.5347(7) 0.056(4) Uani 0.567(7) 1 d D U P A 1
F3_1 F 0.2333(9) 0.6598(5) 0.4890(4) 0.064(2) Uani 0.567(7) 1 d D U P A 1
C3_1 C 0.4557(9) 0.7153(7) 0.5374(4) 0.049(2) Uani 0.567(7) 1 d D U P A 1
F4_1 F 0.5635(8) 0.7520(6) 0.5563(4) 0.052(2) Uani 0.567(7) 1 d D U P A 1
F5_1 F 0.4858(14) 0.6446(9) 0.5169(6) 0.055(3) Uani 0.567(7) 1 d D U P A 1
F6_1 F 0.4082(14) 0.6928(8) 0.5787(4) 0.060(3) Uani 0.567(7) 1 d D U P A 1
C4_1 C 0.3812(10) 0.8623(6) 0.5211(4) 0.055(3) Uani 0.567(7) 1 d D U P A 1
F7_1 F 0.4829(13) 0.8980(9) 0.5116(6) 0.066(4) Uani 0.567(7) 1 d D U P A 1
F8_1 F 0.3809(11) 0.8643(7) 0.5723(4) 0.063(3) Uani 0.567(7) 1 d D U P A 1
F9_1 F 0.2878(8) 0.9102(6) 0.5000(4) 0.072(3) Uani 0.567(7) 1 d D U P A 1
Cl1 Cl 0.42959(18) 1.02691(12) 0.06422(8) 0.0621(5) Uani 1 1 d . . . . .
C1 C 0.4370(7) 0.9002(4) 0.1291(2) 0.0448(15) Uani 1 1 d . . . . .
N1 N 0.3774(6) 0.8493(4) 0.1413(2) 0.0492(14) Uani 1 1 d . . . . .
Al1 Al 0.49997(15) 0.75321(10) 0.41127(6) 0.0273(4) Uani 1 1 d . . . . .
C3 C 0.0518(7) 0.7466(4) 0.1993(2) 0.0436(15) Uani 1 1 d . . . . .
N3 N 0.3892(6) 0.6532(4) 0.1559(2) 0.0521(15) Uani 1 1 d . . . . .
Cl3 Cl 0.63482(17) 0.91503(12) 0.08949(7) 0.0556(5) Uani 1 1 d . . . . .
N2 N 0.1399(6) 0.7479(3) 0.1823(2) 0.0458(14) Uani 1 1 d . . . . .
Cl2 Cl 0.5781(2) 1.02649(14) 0.16823(8) 0.0719(6) Uani 1 1 d . . . . .
C2 C 0.5173(6) 0.9656(4) 0.1132(3) 0.0458(15) Uani 1 1 d . . . . .
C4 C -0.0581(7) 0.7451(4) 0.2214(3) 0.0502(17) Uani 1 1 d . . . . .
Cl4 Cl -0.1483(2) 0.83244(17) 0.19728(9) 0.0826(7) Uani 1 1 d . . . . .
C5 C 0.4493(7) 0.6003(4) 0.1463(3) 0.0467(16) Uani 1 1 d . . . . .
Cl5 Cl -0.1369(2) 0.65164(16) 0.20344(10) 0.0825(7) Uani 1 1 d . . . . .
Cl6 Cl -0.01643(19) 0.75080(13) 0.28958(6) 0.0622(5) Uani 1 1 d . . . . .
C6 C 0.5254(7) 0.5311(4) 0.1325(3) 0.0483(16) Uani 1 1 d . . . . .
Cl8 Cl 0.5968(2) 0.48184(15) 0.19019(8) 0.0782(7) Uani 1 1 d . . . . .
Cl9 Cl 0.63562(19) 0.57518(14) 0.10030(7) 0.0646(5) Uani 1 1 d . . . . .
Cu1 Cu 0.29165(10) 0.75249(6) 0.16019(4) 0.0451(3) Uani 1 1 d . . . . .
Cl7 Cl 0.4336(2) 0.46262(15) 0.09044(11) 0.0821(8) 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_5 C1_5 1.362(7) . ?
O1_5 Al1 1.698(5) . ?
C1_5 C4_5 1.533(8) . ?
C1_5 C3_5 1.543(8) . ?
C1_5 C2_5 1.547(8) . ?
C2_5 F2_5 1.316(7) . ?
C2_5 F3_5 1.324(8) . ?
C2_5 F1_5 1.344(7) . ?
C3_5 F6_5 1.316(7) . ?
C3_5 F5_5 1.337(8) . ?
C3_5 F4_5 1.342(8) . ?
C4_5 F7_5 1.334(8) . ?
C4_5 F9_5 1.335(8) . ?
C4_5 F8_5 1.348(8) . ?
O1_4 C1_4 1.348(7) . ?
O1_4 Al1 1.714(4) . ?
C1_4 C3_4 1.536(8) . ?
C1_4 C4_4 1.544(8) . ?
C1_4 C2_4 1.557(8) . ?
C2_4 F2_4 1.323(7) . ?
C2_4 F1_4 1.330(8) . ?
C2_4 F3_4 1.345(8) . ?
C3_4 F4_4 1.330(8) . ?
C3_4 F5_4 1.332(8) . ?
C3_4 F6_4 1.346(7) . ?
C4_4 F9_4 1.318(7) . ?
C4_4 F8_4 1.341(8) . ?
C4_4 F7_4 1.347(7) . ?
O1_3 C1_3 1.353(7) . ?
O1_3 Al1 1.715(4) . ?
C1_3 C4_3 1.538(7) . ?
C1_3 C2_3 1.539(8) . ?
C1_3 C3_3 1.547(8) . ?
C2_3 F1_3 1.324(8) . ?
C2_3 F2_3 1.335(7) . ?
C2_3 F3_3 1.345(7) . ?
C3_3 F5_3 1.330(7) . ?
C3_3 F4_3 1.332(8) . ?
C3_3 F6_3 1.348(7) . ?
C4_3 F7_3 1.315(7) . ?
C4_3 F8_3 1.341(7) . ?
C4_3 F9_3 1.351(8) . ?
O1_2 C1_2 1.341(12) . ?
O1_2 Al1 1.75(2) . ?
C1_2 C2_2 1.538(11) . ?
C1_2 C3_2 1.542(12) . ?
C1_2 C4_2 1.562(12) . ?
C2_2 F3_2 1.335(12) . ?
C2_2 F1_2 1.336(12) . ?
C2_2 F2_2 1.343(11) . ?
C3_2 F5_2 1.334(11) . ?
C3_2 F6_2 1.343(12) . ?
C3_2 F4_2 1.350(12) . ?
C4_2 F8_2 1.322(11) . ?
C4_2 F9_2 1.329(12) . ?
C4_2 F7_2 1.340(11) . ?
O1_1 C1_1 1.342(10) . ?
O1_1 Al1 1.711(17) . ?
C1_1 C4_1 1.539(11) . ?
C1_1 C3_1 1.540(10) . ?
C1_1 C2_1 1.547(11) . ?
C2_1 F3_1 1.330(10) . ?
C2_1 F2_1 1.337(11) . ?
C2_1 F1_1 1.348(11) . ?
C3_1 F5_1 1.320(11) . ?
C3_1 F6_1 1.340(10) . ?
C3_1 F4_1 1.348(11) . ?
C4_1 F9_1 1.327(10) . ?
C4_1 F7_1 1.338(11) . ?
C4_1 F8_1 1.338(10) . ?
Cl1 C2 1.752(7) . ?
C1 N1 1.135(9) . ?
C1 C2 1.489(10) . ?
N1 Cu1 1.933(6) . ?
C3 N2 1.157(9) . ?
C3 C4 1.457(11) . ?
N3 C5 1.136(9) . ?
N3 Cu1 1.941(6) . ?
Cl3 C2 1.754(7) . ?
N2 Cu1 1.899(7) . ?
Cl2 C2 1.759(7) . ?
C4 Cl5 1.750(7) . ?
C4 Cl6 1.753(7) . ?
C4 Cl4 1.765(8) . ?
C5 C6 1.482(10) . ?
C6 Cl7 1.738(7) . ?
C6 Cl8 1.748(7) . ?
C6 Cl9 1.768(7) . ?

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_5 O1_5 Al1 151.9(5) . . ?
O1_5 C1_5 C4_5 105.2(5) . . ?
O1_5 C1_5 C3_5 109.2(5) . . ?
C4_5 C1_5 C3_5 110.1(5) . . ?
O1_5 C1_5 C2_5 113.9(5) . . ?
C4_5 C1_5 C2_5 109.0(5) . . ?
C3_5 C1_5 C2_5 109.4(5) . . ?
F2_5 C2_5 F3_5 111.5(6) . . ?
F2_5 C2_5 F1_5 107.2(6) . . ?
F3_5 C2_5 F1_5 105.3(6) . . ?
F2_5 C2_5 C1_5 112.9(6) . . ?
F3_5 C2_5 C1_5 109.8(6) . . ?
F1_5 C2_5 C1_5 109.8(5) . . ?
F6_5 C3_5 F5_5 109.7(7) . . ?
F6_5 C3_5 F4_5 108.3(6) . . ?
F5_5 C3_5 F4_5 106.2(6) . . ?
F6_5 C3_5 C1_5 111.5(6) . . ?
F5_5 C3_5 C1_5 110.2(6) . . ?
F4_5 C3_5 C1_5 110.8(6) . . ?
F7_5 C4_5 F9_5 108.5(6) . . ?
F7_5 C4_5 F8_5 105.0(6) . . ?
F9_5 C4_5 F8_5 107.2(6) . . ?
F7_5 C4_5 C1_5 111.9(6) . . ?
F9_5 C4_5 C1_5 111.1(6) . . ?
F8_5 C4_5 C1_5 112.9(6) . . ?
C1_4 O1_4 Al1 150.7(4) . . ?
O1_4 C1_4 C3_4 107.6(5) . . ?
O1_4 C1_4 C4_4 109.4(5) . . ?
C3_4 C1_4 C4_4 110.5(5) . . ?
O1_4 C1_4 C2_4 111.2(5) . . ?
C3_4 C1_4 C2_4 110.2(5) . . ?
C4_4 C1_4 C2_4 108.0(5) . . ?
F2_4 C2_4 F1_4 107.5(6) . . ?
F2_4 C2_4 F3_4 107.0(6) . . ?
F1_4 C2_4 F3_4 108.4(6) . . ?
F2_4 C2_4 C1_4 112.5(6) . . ?
F1_4 C2_4 C1_4 111.5(6) . . ?
F3_4 C2_4 C1_4 109.6(5) . . ?
F4_4 C3_4 F5_4 106.6(6) . . ?
F4_4 C3_4 F6_4 107.3(6) . . ?
F5_4 C3_4 F6_4 107.0(6) . . ?
F4_4 C3_4 C1_4 112.0(6) . . ?
F5_4 C3_4 C1_4 112.4(5) . . ?
F6_4 C3_4 C1_4 111.1(6) . . ?
F9_4 C4_4 F8_4 107.7(6) . . ?
F9_4 C4_4 F7_4 107.5(6) . . ?
F8_4 C4_4 F7_4 106.1(5) . . ?
F9_4 C4_4 C1_4 111.6(5) . . ?
F8_4 C4_4 C1_4 112.8(6) . . ?
F7_4 C4_4 C1_4 110.9(6) . . ?
C1_3 O1_3 Al1 147.9(4) . . ?
O1_3 C1_3 C4_3 111.2(5) . . ?
O1_3 C1_3 C2_3 108.0(5) . . ?
C4_3 C1_3 C2_3 109.5(5) . . ?
O1_3 C1_3 C3_3 110.5(5) . . ?
C4_3 C1_3 C3_3 108.9(5) . . ?
C2_3 C1_3 C3_3 108.7(5) . . ?
F1_3 C2_3 F2_3 106.2(6) . . ?
F1_3 C2_3 F3_3 106.2(6) . . ?
F2_3 C2_3 F3_3 106.7(5) . . ?
F1_3 C2_3 C1_3 112.5(5) . . ?
F2_3 C2_3 C1_3 113.7(5) . . ?
F3_3 C2_3 C1_3 111.1(6) . . ?
F5_3 C3_3 F4_3 108.5(6) . . ?
F5_3 C3_3 F6_3 107.0(6) . . ?
F4_3 C3_3 F6_3 107.1(6) . . ?
F5_3 C3_3 C1_3 110.9(5) . . ?
F4_3 C3_3 C1_3 110.3(6) . . ?
F6_3 C3_3 C1_3 112.8(6) . . ?
F7_3 C4_3 F8_3 108.5(6) . . ?
F7_3 C4_3 F9_3 106.3(6) . . ?
F8_3 C4_3 F9_3 105.7(6) . . ?
F7_3 C4_3 C1_3 112.0(5) . . ?
F8_3 C4_3 C1_3 113.4(5) . . ?
F9_3 C4_3 C1_3 110.5(6) . . ?
C1_2 O1_2 Al1 147(2) . . ?
O1_2 C1_2 C2_2 112.0(16) . . ?
O1_2 C1_2 C3_2 108.2(15) . . ?
C2_2 C1_2 C3_2 109.0(10) . . ?
O1_2 C1_2 C4_2 111.5(16) . . ?
C2_2 C1_2 C4_2 108.1(9) . . ?
C3_2 C1_2 C4_2 107.8(9) . . ?
F3_2 C2_2 F1_2 105.2(13) . . ?
F3_2 C2_2 F2_2 105.0(11) . . ?
F1_2 C2_2 F2_2 107.3(12) . . ?
F3_2 C2_2 C1_2 113.8(11) . . ?
F1_2 C2_2 C1_2 112.0(10) . . ?
F2_2 C2_2 C1_2 112.9(10) . . ?
F5_2 C3_2 F6_2 107.2(13) . . ?
F5_2 C3_2 F4_2 109.3(12) . . ?
F6_2 C3_2 F4_2 106.5(15) . . ?
F5_2 C3_2 C1_2 110.3(10) . . ?
F6_2 C3_2 C1_2 111.8(13) . . ?
F4_2 C3_2 C1_2 111.6(13) . . ?
F8_2 C4_2 F9_2 113.5(13) . . ?
F8_2 C4_2 F7_2 107.2(11) . . ?
F9_2 C4_2 F7_2 107.0(12) . . ?
F8_2 C4_2 C1_2 113.0(11) . . ?
F9_2 C4_2 C1_2 106.3(12) . . ?
F7_2 C4_2 C1_2 109.7(10) . . ?
C1_1 O1_1 Al1 148.5(18) . . ?
O1_1 C1_1 C4_1 109.2(13) . . ?
O1_1 C1_1 C3_1 113.6(13) . . ?
C4_1 C1_1 C3_1 108.4(8) . . ?
O1_1 C1_1 C2_1 108.0(12) . . ?
C4_1 C1_1 C2_1 108.3(8) . . ?
C3_1 C1_1 C2_1 109.1(8) . . ?
F3_1 C2_1 F2_1 106.5(12) . . ?
F3_1 C2_1 F1_1 108.9(10) . . ?
F2_1 C2_1 F1_1 106.6(13) . . ?
F3_1 C2_1 C1_1 109.8(9) . . ?
F2_1 C2_1 C1_1 115.0(12) . . ?
F1_1 C2_1 C1_1 109.7(10) . . ?
F5_1 C3_1 F6_1 105.6(10) . . ?
F5_1 C3_1 F4_1 103.8(11) . . ?
F6_1 C3_1 F4_1 106.8(10) . . ?
F5_1 C3_1 C1_1 114.6(10) . . ?
F6_1 C3_1 C1_1 113.4(10) . . ?
F4_1 C3_1 C1_1 111.9(9) . . ?
F9_1 C4_1 F7_1 108.1(11) . . ?
F9_1 C4_1 F8_1 104.2(9) . . ?
F7_1 C4_1 F8_1 109.9(11) . . ?
F9_1 C4_1 C1_1 112.8(9) . . ?
F7_1 C4_1 C1_1 109.1(10) . . ?
F8_1 C4_1 C1_1 112.7(9) . . ?
N1 C1 C2 178.8(7) . . ?
C1 N1 Cu1 172.5(6) . . ?
O1_5 Al1 O1_1 113.0(9) . . ?
O1_5 Al1 O1_4 108.5(2) . . ?
O1_1 Al1 O1_4 108.2(8) . . ?
O1_5 Al1 O1_3 108.2(2) . . ?
O1_1 Al1 O1_3 106.1(8) . . ?
O1_4 Al1 O1_3 112.9(2) . . ?
O1_4 Al1 O1_2 108.9(10) . . ?
O1_3 Al1 O1_2 105.5(10) . . ?
N2 C3 C4 179.2(7) . . ?
C5 N3 Cu1 169.4(6) . . ?
C3 N2 Cu1 175.1(5) . . ?
C1 C2 Cl1 108.1(5) . . ?
C1 C2 Cl3 108.1(5) . . ?
Cl1 C2 Cl3 110.7(3) . . ?
C1 C2 Cl2 108.6(4) . . ?
Cl1 C2 Cl2 111.1(4) . . ?
Cl3 C2 Cl2 110.1(4) . . ?
C3 C4 Cl5 109.2(5) . . ?
C3 C4 Cl6 108.7(5) . . ?
Cl5 C4 Cl6 109.7(4) . . ?
C3 C4 Cl4 108.4(5) . . ?
Cl5 C4 Cl4 110.7(4) . . ?
Cl6 C4 Cl4 110.0(4) . . ?
N3 C5 C6 178.5(8) . . ?
C5 C6 Cl7 108.9(5) . . ?
C5 C6 Cl8 108.4(5) . . ?
Cl7 C6 Cl8 112.2(4) . . ?
C5 C6 Cl9 107.8(5) . . ?
Cl7 C6 Cl9 109.4(4) . . ?
Cl8 C6 Cl9 110.0(4) . . ?
N2 Cu1 N1 128.7(2) . . ?
N2 Cu1 N3 122.3(2) . . ?
N1 Cu1 N3 109.0(3) . . ?

_refine_diff_density_max         0.823
_refine_diff_density_min         -0.969
_refine_diff_density_rms         0.133

####################################################################### 
# 
# 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_exp_1718_a
_database_code_depnum_ccdc_archive 'CCDC 1960203'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 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         ?
_chemical_formula_sum            'C60 Ag3 Al3 Cl18 F108 N6 O12'
_chemical_formula_weight         4091.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   15.8763(3)
_cell_length_b                   23.2524(4)
_cell_length_c                   32.6565(7)
_cell_angle_alpha                90
_cell_angle_beta                 94.580(2)
_cell_angle_gamma                90
_cell_volume                     12017.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    19513
_cell_measurement_theta_min      2.6890
_cell_measurement_theta_max      72.6440

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.261
_exptl_crystal_F_000             7824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    9.901
_shelx_estimated_absorpt_T_min   0.144
_shelx_estimated_absorpt_T_max   0.588
_exptl_absorpt_correction_T_min  0.345
_exptl_absorpt_correction_T_max  0.632
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            81755
_diffrn_reflns_av_unetI/netI     0.0709
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.335
_diffrn_reflns_theta_max         74.042
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             23792
_reflns_number_gt                17321
_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       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.0626P)²+45.9878P] 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         23792
_refine_ls_number_parameters     2407
_refine_ls_number_restraints     34296
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0654
_refine_ls_wR_factor_ref         0.1722
_refine_ls_wR_factor_gt          0.1546
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      0.746
_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_15 O 1.0408(2) 0.17249(17) 0.46638(11) 0.0222(8) Uani 1 1 d D U . . .
C1_15 C 1.0512(3) 0.1643(2) 0.42604(16) 0.0250(11) Uani 1 1 d D U . . .
C2_15 C 1.1473(3) 0.1682(3) 0.42012(18) 0.0341(13) Uani 1 1 d D U . . .
F1_15 F 1.1808(2) 0.21385(18) 0.44006(13) 0.0449(10) Uani 1 1 d D U . . .
F2_15 F 1.1625(2) 0.1728(2) 0.38076(12) 0.0489(11) Uani 1 1 d D U . . .
F3_15 F 1.1882(2) 0.12212(19) 0.43529(13) 0.0472(10) Uani 1 1 d D U . . .
C3_15 C 1.0184(4) 0.1041(3) 0.41171(18) 0.0348(13) Uani 1 1 d D U . . .
F4_15 F 0.9348(2) 0.10336(18) 0.40440(13) 0.0436(10) Uani 1 1 d D U . . .
F5_15 F 1.0398(3) 0.06452(17) 0.44057(14) 0.0528(11) Uani 1 1 d D U . . .
F6_15 F 1.0505(3) 0.08542(19) 0.37744(13) 0.0474(10) Uani 1 1 d D U . . .
C4_15 C 1.0043(4) 0.2105(3) 0.39903(17) 0.0315(12) Uani 1 1 d D U . . .
F7_15 F 0.9274(2) 0.21924(18) 0.41180(11) 0.0382(9) Uani 1 1 d D U . . .
F8_15 F 0.9934(3) 0.19630(19) 0.35925(11) 0.0435(10) Uani 1 1 d D U . . .
F9_15 F 1.0437(3) 0.26048(17) 0.40100(13) 0.0473(10) Uani 1 1 d D U . . .
O1_14 O 0.8765(2) 0.14906(18) 0.48626(12) 0.0257(8) Uani 1 1 d D U . . .
C1_14 C 0.7918(3) 0.1439(2) 0.48892(16) 0.0260(11) Uani 1 1 d D U . . .
C2_14 C 0.7737(4) 0.1229(3) 0.53210(19) 0.0414(15) Uani 1 1 d D U . . .
F1_14 F 0.7949(3) 0.06814(19) 0.53757(14) 0.0547(11) Uani 1 1 d D U . . .
F2_14 F 0.6924(2) 0.1289(2) 0.53962(14) 0.0590(13) Uani 1 1 d D U . . .
F3_14 F 0.8189(2) 0.1532(2) 0.56113(12) 0.0463(10) Uani 1 1 d D U . . .
C3_14 C 0.7471(4) 0.2023(3) 0.4798(2) 0.0365(13) Uani 1 1 d D U . . .
F4_14 F 0.7757(2) 0.22832(18) 0.44731(13) 0.0457(10) Uani 1 1 d D U . . .
F5_14 F 0.7596(3) 0.23870(18) 0.51160(14) 0.0487(11) Uani 1 1 d D U . . .
F6_14 F 0.6635(2) 0.19672(19) 0.47223(16) 0.0554(12) Uani 1 1 d D U . . .
C4_14 C 0.7569(3) 0.0998(3) 0.45637(19) 0.0345(13) Uani 1 1 d D U . . .
F7_14 F 0.7564(2) 0.12205(19) 0.41880(12) 0.0450(10) Uani 1 1 d D U . . .
F8_14 F 0.6776(2) 0.08349(19) 0.46207(14) 0.0467(10) Uani 1 1 d D U . . .
F9_14 F 0.8040(2) 0.05267(17) 0.45735(14) 0.0454(10) Uani 1 1 d D U . . .
O1_13 O -0.0245(2) 0.26590(16) 0.18506(12) 0.0246(8) Uani 1 1 d D U . . .
C1_13 C -0.0622(3) 0.3094(2) 0.20374(16) 0.0250(11) Uani 1 1 d D U . . .
C2_13 C -0.1536(3) 0.3203(2) 0.18365(19) 0.0323(12) Uani 1 1 d D U . . .
F1_13 F -0.1559(2) 0.31581(18) 0.14341(12) 0.0415(9) Uani 1 1 d D U . . .
F2_13 F -0.1820(2) 0.37294(16) 0.19256(14) 0.0432(9) Uani 1 1 d D U . . .
F3_13 F -0.2077(2) 0.28227(16) 0.19733(13) 0.0410(9) Uani 1 1 d D U . . .
C3_13 C -0.0668(4) 0.2969(2) 0.25001(18) 0.0342(13) Uani 1 1 d D U . . .
F4_13 F 0.0094(2) 0.30214(18) 0.27005(12) 0.0420(9) Uani 1 1 d D U . . .
F5_13 F -0.0927(3) 0.24322(16) 0.25607(12) 0.0415(9) Uani 1 1 d D U . . .
F6_13 F -0.1187(3) 0.33235(18) 0.26816(12) 0.0443(10) Uani 1 1 d D U . . .
C4_13 C -0.0089(4) 0.3649(2) 0.19888(19) 0.0339(13) Uani 1 1 d D U . . .
F7_13 F 0.0735(2) 0.35378(16) 0.20448(14) 0.0420(9) Uani 1 1 d D U . . .
F8_13 F -0.0261(3) 0.40655(16) 0.22540(14) 0.0487(11) Uani 1 1 d D U . . .
F9_13 F -0.0238(3) 0.38685(17) 0.16106(13) 0.0476(10) Uani 1 1 d D U . . .
O1_12 O 0.0022(2) 0.14818(17) 0.21167(12) 0.0254(8) Uani 1 1 d D U . . .
C1_12 C 0.0666(3) 0.1216(2) 0.23436(16) 0.0275(11) Uani 1 1 d D U . . .
C2_12 C 0.0271(4) 0.0837(3) 0.26648(19) 0.0384(14) Uani 1 1 d D U . . .
F1_12 F -0.0336(3) 0.11156(18) 0.28430(13) 0.0468(10) Uani 1 1 d D U . . .
F2_12 F 0.0838(3) 0.0662(2) 0.29662(13) 0.0544(11) Uani 1 1 d D U . . .
F3_12 F -0.0077(3) 0.03623(17) 0.24899(15) 0.0535(11) Uani 1 1 d D U . . .
C3_12 C 0.1184(4) 0.0829(3) 0.20709(19) 0.0391(14) Uani 1 1 d D U . . .
F4_12 F 0.1732(3) 0.1145(2) 0.18698(12) 0.0479(10) Uani 1 1 d D U . . .
F5_12 F 0.0689(3) 0.05534(18) 0.17889(13) 0.0509(11) Uani 1 1 d D U . . .
F6_12 F 0.1642(3) 0.04339(18) 0.22903(13) 0.0509(11) Uani 1 1 d D U . . .
C4_12 C 0.1258(4) 0.1661(3) 0.25675(18) 0.0360(13) Uani 1 1 d D U . . .
F7_12 F 0.1426(3) 0.20884(18) 0.23092(13) 0.0448(10) Uani 1 1 d D U . . .
F8_12 F 0.1999(2) 0.1433(2) 0.27079(14) 0.0508(11) Uani 1 1 d D U . . .
F9_12 F 0.0903(3) 0.18987(18) 0.28811(12) 0.0440(10) Uani 1 1 d D U . . .
O1_11 O 0.0360(2) 0.18306(17) 0.13323(12) 0.0255(8) Uani 1 1 d D U . . .
C1_11 C 0.0714(3) 0.2064(2) 0.10089(17) 0.0303(12) Uani 1 1 d D U . . .
C2_11 C 0.0044(4) 0.2300(3) 0.06856(18) 0.0373(14) Uani 1 1 d D U . . .
F1_11 F -0.0362(3) 0.1880(2) 0.04774(13) 0.0509(11) Uani 1 1 d D U . . .
F2_11 F 0.0362(3) 0.2650(2) 0.04101(13) 0.0515(11) Uani 1 1 d D U . . .
F3_11 F -0.0543(3) 0.2600(2) 0.08648(12) 0.0505(11) Uani 1 1 d D U . . .
C3_11 C 0.1322(4) 0.2564(3) 0.1153(2) 0.0460(16) Uani 1 1 d D U . . .
F4_11 F 0.1702(3) 0.2450(2) 0.15211(13) 0.0587(12) Uani 1 1 d D U . . .
F5_11 F 0.0910(3) 0.30602(19) 0.11866(15) 0.0585(12) Uani 1 1 d D U . . .
F6_11 F 0.1930(3) 0.2658(2) 0.09000(15) 0.0622(13) Uani 1 1 d D U . . .
C4_11 C 0.1244(4) 0.1594(3) 0.08107(19) 0.0409(15) Uani 1 1 d D U . . .
F7_11 F 0.1962(3) 0.1490(2) 0.10404(14) 0.0625(14) Uani 1 1 d D U . . .
F8_11 F 0.1443(3) 0.17314(19) 0.04347(12) 0.0469(10) Uani 1 1 d D U . . .
F9_11 F 0.0808(3) 0.11015(18) 0.07789(15) 0.0575(12) Uani 1 1 d D U . . .
O1_10 O 0.5109(2) 0.30333(18) 0.29434(13) 0.0275(9) Uani 1 1 d D U . . .
C1_10 C 0.5595(3) 0.3292(2) 0.26763(16) 0.0251(11) Uani 1 1 d D U . . .
C2_10 C 0.6441(4) 0.3504(3) 0.2891(2) 0.0416(15) Uani 1 1 d D U . . .
F1_10 F 0.6348(2) 0.39976(18) 0.30919(13) 0.0464(10) Uani 1 1 d D U . . .
F2_10 F 0.7044(2) 0.3584(2) 0.26357(14) 0.0551(12) Uani 1 1 d D U . . .
F3_10 F 0.6732(2) 0.3118(2) 0.31752(14) 0.0546(11) Uani 1 1 d D U . . .
C3_10 C 0.5791(4) 0.2846(3) 0.2347(2) 0.0399(14) Uani 1 1 d D U . . .
F4_10 F 0.5093(3) 0.25562(19) 0.22174(14) 0.0507(11) Uani 1 1 d D U . . .
F5_10 F 0.6353(3) 0.24646(19) 0.24982(15) 0.0539(11) Uani 1 1 d D U . . .
F6_10 F 0.6094(3) 0.3083(2) 0.20169(13) 0.0485(10) Uani 1 1 d D U . . .
C4_10 C 0.5131(4) 0.3817(2) 0.24709(17) 0.0313(12) Uani 1 1 d D U . . .
F7_10 F 0.4530(3) 0.3648(2) 0.21882(13) 0.0478(10) Uani 1 1 d D U . . .
F8_10 F 0.5649(3) 0.41614(18) 0.22789(13) 0.0471(10) Uani 1 1 d D U . . .
F9_10 F 0.4766(2) 0.41345(16) 0.27446(12) 0.0385(9) Uani 1 1 d D U . . .
O1_9 O 1.014(2) 0.1642(14) 0.5475(10) 0.021(6) Uani 0.293(7) 1 d D U P A 2
C1_9 C 1.0639(9) 0.1276(7) 0.5710(4) 0.021(3) Uani 0.293(7) 1 d D U P A 2
C2_9 C 1.0747(9) 0.1494(6) 0.6157(4) 0.025(3) Uani 0.293(7) 1 d D U P A 2
F1_9 F 1.1248(15) 0.1954(9) 0.6191(7) 0.038(5) Uani 0.293(7) 1 d D U P A 2
F2_9 F 1.1049(10) 0.1095(6) 0.6425(4) 0.037(3) Uani 0.293(7) 1 d D U P A 2
F3_9 F 1.0025(11) 0.1681(10) 0.6293(8) 0.034(5) Uani 0.293(7) 1 d D U P A 2
C3_9 C 1.0245(9) 0.0671(6) 0.5697(5) 0.031(3) Uani 0.293(7) 1 d D U P A 2
F4_9 F 0.9936(19) 0.0520(16) 0.5323(6) 0.041(6) Uani 0.293(7) 1 d D U P A 2
F5_9 F 0.9595(11) 0.0626(8) 0.5932(7) 0.043(4) Uani 0.293(7) 1 d D U P A 2
F6_9 F 1.0779(14) 0.0262(9) 0.5840(8) 0.039(5) Uani 0.293(7) 1 d D U P A 2
C4_9 C 1.1533(9) 0.1259(7) 0.5552(4) 0.034(3) Uani 0.293(7) 1 d D U P A 2
F7_9 F 1.1534(10) 0.0953(7) 0.5210(4) 0.040(4) Uani 0.293(7) 1 d D U P A 2
F8_9 F 1.2121(10) 0.1037(9) 0.5818(5) 0.046(4) Uani 0.293(7) 1 d D U P A 2
F9_9 F 1.1772(19) 0.1785(8) 0.5447(9) 0.044(5) Uani 0.293(7) 1 d D U P A 2
O1_8 O 1.0115(9) 0.1652(6) 0.5495(5) 0.025(3) Uani 0.707(7) 1 d D U P A 1
C1_8 C 1.0591(5) 0.1266(4) 0.5722(3) 0.0251(18) Uani 0.707(7) 1 d D U P A 1
C2_8 C 1.0139(5) 0.1128(3) 0.6115(2) 0.0341(18) Uani 0.707(7) 1 d D U P A 1
F1_8 F 0.9813(5) 0.1607(4) 0.6261(4) 0.039(2) Uani 0.707(7) 1 d D U P A 1
F2_8 F 1.0638(4) 0.0885(3) 0.64108(18) 0.0426(15) Uani 0.707(7) 1 d D U P A 1
F3_8 F 0.9477(5) 0.0788(3) 0.6031(3) 0.0435(19) Uani 0.707(7) 1 d D U P A 1
C3_8 C 1.0712(5) 0.0702(3) 0.5488(3) 0.0397(19) Uani 0.707(7) 1 d D U P A 1
F4_8 F 1.1306(5) 0.0734(3) 0.5227(2) 0.0443(18) Uani 0.707(7) 1 d D U P A 1
F5_8 F 1.0006(8) 0.0559(7) 0.5266(3) 0.048(3) Uani 0.707(7) 1 d D U P A 1
F6_8 F 1.0927(7) 0.0261(4) 0.5736(3) 0.047(3) Uani 0.707(7) 1 d D U P A 1
C4_8 C 1.1467(5) 0.1525(4) 0.5849(3) 0.0368(19) Uani 0.707(7) 1 d D U P A 1
F7_8 F 1.1800(9) 0.1774(5) 0.5531(4) 0.053(3) Uani 0.707(7) 1 d D U P A 1
F8_8 F 1.2025(4) 0.1129(3) 0.5995(3) 0.051(2) Uani 0.707(7) 1 d D U P A 1
F9_8 F 1.1425(7) 0.1923(4) 0.6137(4) 0.045(2) Uani 0.707(7) 1 d D U P A 1
O1_7 O -0.1340(17) 0.1802(11) 0.1567(10) 0.023(6) Uani 0.378(7) 1 d D U P B 2
C1_7 C -0.1930(9) 0.1384(6) 0.1490(4) 0.022(3) Uani 0.378(7) 1 d D U P B 2
C2_7 C -0.2161(8) 0.1114(6) 0.1900(4) 0.032(3) Uani 0.378(7) 1 d D U P B 2
F1_7 F -0.1589(7) 0.0719(4) 0.2033(4) 0.041(3) Uani 0.378(7) 1 d D U P B 2
F2_7 F -0.2894(12) 0.0827(10) 0.1871(8) 0.040(5) Uani 0.378(7) 1 d D U P B 2
F3_7 F -0.2212(15) 0.1514(9) 0.2191(5) 0.042(4) Uani 0.378(7) 1 d D U P B 2
C3_7 C -0.2728(7) 0.1664(5) 0.1274(4) 0.029(3) Uani 0.378(7) 1 d D U P B 2
F4_7 F -0.2543(13) 0.2007(6) 0.0965(5) 0.033(3) Uani 0.378(7) 1 d D U P B 2
F5_7 F -0.3147(6) 0.1960(5) 0.1544(4) 0.039(3) Uani 0.378(7) 1 d D U P B 2
F6_7 F -0.3279(12) 0.1262(9) 0.1123(7) 0.034(4) Uani 0.378(7) 1 d D U P B 2
C4_7 C -0.1605(8) 0.0916(5) 0.1209(4) 0.032(3) Uani 0.378(7) 1 d D U P B 2
F7_7 F -0.1632(7) 0.1092(5) 0.0816(3) 0.039(3) Uani 0.378(7) 1 d D U P B 2
F8_7 F -0.2048(18) 0.0426(9) 0.1194(8) 0.041(5) Uani 0.378(7) 1 d D U P B 2
F9_7 F -0.0806(9) 0.0774(11) 0.1330(6) 0.032(4) Uani 0.378(7) 1 d D U P B 2
O1_6 O 0.3726(10) 0.3499(15) 0.3351(10) 0.024(6) Uani 0.392(8) 1 d D U P C 2
C1_6 C 0.2883(9) 0.3511(5) 0.3248(4) 0.024(3) Uani 0.392(8) 1 d D U P C 2
C2_6 C 0.2631(8) 0.3028(5) 0.2939(4) 0.037(3) Uani 0.392(8) 1 d D U P C 2
F1_6 F 0.3214(17) 0.2962(10) 0.2666(8) 0.046(6) Uani 0.392(8) 1 d D U P C 2
F2_6 F 0.1896(10) 0.3132(8) 0.2726(7) 0.044(4) Uani 0.392(8) 1 d D U P C 2
F3_6 F 0.2568(10) 0.2519(5) 0.3118(5) 0.045(3) Uani 0.392(8) 1 d D U P C 2
C3_6 C 0.2398(8) 0.3431(5) 0.3637(4) 0.038(3) Uani 0.392(8) 1 d D U P C 2
F4_6 F 0.2409(8) 0.3905(5) 0.3865(4) 0.048(3) Uani 0.392(8) 1 d D U P C 2
F5_6 F 0.2755(17) 0.3019(10) 0.3877(6) 0.043(5) Uani 0.392(8) 1 d D U P C 2
F6_6 F 0.1587(7) 0.3284(8) 0.3554(6) 0.044(4) Uani 0.392(8) 1 d D U P C 2
C4_6 C 0.2649(7) 0.4101(5) 0.3053(4) 0.028(3) Uani 0.392(8) 1 d D U P C 2
F7_6 F 0.3029(17) 0.4525(9) 0.3272(7) 0.036(5) Uani 0.392(8) 1 d D U P C 2
F8_6 F 0.1820(8) 0.4203(11) 0.3019(6) 0.035(4) Uani 0.392(8) 1 d D U P C 2
F9_6 F 0.2903(8) 0.4132(5) 0.2673(3) 0.037(3) Uani 0.392(8) 1 d D U P C 2
O1_5 O 0.4404(17) 0.2430(6) 0.3572(8) 0.029(4) Uani 0.488(8) 1 d D U P C 2
C1_5 C 0.4601(7) 0.1868(6) 0.3611(3) 0.031(3) Uani 0.488(8) 1 d D U P C 2
C2_5 C 0.4378(7) 0.1660(5) 0.4041(3) 0.044(3) Uani 0.488(8) 1 d D U P C 2
F1_5 F 0.4930(6) 0.1863(5) 0.4334(3) 0.045(2) Uani 0.488(8) 1 d D U P C 2
F2_5 F 0.4361(8) 0.1085(4) 0.4068(4) 0.057(3) Uani 0.488(8) 1 d D U P C 2
F3_5 F 0.3634(10) 0.1861(9) 0.4128(6) 0.062(5) Uani 0.488(8) 1 d D U P C 2
C3_5 C 0.4095(7) 0.1505(5) 0.3281(4) 0.043(3) Uani 0.488(8) 1 d D U P C 2
F4_5 F 0.4073(13) 0.1754(11) 0.2910(5) 0.056(5) Uani 0.488(8) 1 d D U P C 2
F5_5 F 0.3295(7) 0.1433(9) 0.3359(5) 0.050(4) Uani 0.488(8) 1 d D U P C 2
F6_5 F 0.4431(9) 0.0980(5) 0.3236(5) 0.049(3) Uani 0.488(8) 1 d D U P C 2
C4_5 C 0.5559(7) 0.1770(5) 0.3575(4) 0.037(3) Uani 0.488(8) 1 d D U P C 2
F7_5 F 0.5735(6) 0.1781(5) 0.3181(3) 0.046(2) Uani 0.488(8) 1 d D U P C 2
F8_5 F 0.5835(15) 0.1261(7) 0.3716(6) 0.044(4) Uani 0.488(8) 1 d D U P C 2
F9_5 F 0.6014(12) 0.2171(9) 0.3783(6) 0.045(4) Uani 0.488(8) 1 d D U P C 2
O1_4 O -0.1327(11) 0.1777(8) 0.1558(7) 0.027(4) Uani 0.622(7) 1 d D U P B 1
C1_4 C -0.1936(6) 0.1369(4) 0.1497(3) 0.028(2) Uani 0.622(7) 1 d D U P B 1
C2_4 C -0.2470(6) 0.1511(4) 0.1095(3) 0.042(2) Uani 0.622(7) 1 d D U P B 1
F1_4 F -0.2656(10) 0.2073(4) 0.1075(4) 0.055(3) Uani 0.622(7) 1 d D U P B 1
F2_4 F -0.3188(9) 0.1211(7) 0.1043(5) 0.059(4) Uani 0.622(7) 1 d D U P B 1
F3_4 F -0.2050(5) 0.1379(4) 0.0771(2) 0.056(2) Uani 0.622(7) 1 d D U P B 1
C3_4 C -0.1547(5) 0.0763(4) 0.1457(3) 0.034(2) Uani 0.622(7) 1 d D U P B 1
F4_4 F -0.1293(4) 0.0542(3) 0.1824(2) 0.0440(17) Uani 0.622(7) 1 d D U P B 1
F5_4 F -0.0869(6) 0.0789(8) 0.1237(4) 0.046(3) Uani 0.622(7) 1 d D U P B 1
F6_4 F -0.2083(10) 0.0384(6) 0.1273(5) 0.038(3) Uani 0.622(7) 1 d D U P B 1
C4_4 C -0.2508(6) 0.1365(4) 0.1860(3) 0.045(2) Uani 0.622(7) 1 d D U P B 1
F7_4 F -0.2037(10) 0.1413(6) 0.2218(4) 0.053(3) Uani 0.622(7) 1 d D U P B 1
F8_4 F -0.2973(8) 0.0887(6) 0.1867(6) 0.053(4) Uani 0.622(7) 1 d D U P B 1
F9_4 F -0.3057(4) 0.1799(3) 0.1828(3) 0.058(2) Uani 0.622(7) 1 d D U P B 1
O1_3 O 0.3713(7) 0.3494(9) 0.3360(7) 0.025(4) Uani 0.608(8) 1 d D U P C 1
C1_3 C 0.2881(7) 0.3502(4) 0.3239(3) 0.026(2) Uani 0.608(8) 1 d D U P C 1
C2_3 C 0.2385(5) 0.3039(4) 0.3460(3) 0.036(2) Uani 0.608(8) 1 d D U P C 1
F1_3 F 0.2493(7) 0.2520(3) 0.3302(3) 0.043(2) Uani 0.608(8) 1 d D U P C 1
F2_3 F 0.1551(5) 0.3138(5) 0.3430(4) 0.044(3) Uani 0.608(8) 1 d D U P C 1
F3_3 F 0.2641(12) 0.2997(6) 0.3857(4) 0.047(3) Uani 0.608(8) 1 d D U P C 1
C3_3 C 0.2538(5) 0.4105(4) 0.3342(3) 0.035(2) Uani 0.608(8) 1 d D U P C 1
F4_3 F 0.3082(12) 0.4517(6) 0.3254(6) 0.049(4) Uani 0.608(8) 1 d D U P C 1
F5_3 F 0.2418(6) 0.4144(4) 0.3739(2) 0.050(2) Uani 0.608(8) 1 d D U P C 1
F6_3 F 0.1797(6) 0.4223(8) 0.3139(4) 0.042(3) Uani 0.608(8) 1 d D U P C 1
C4_3 C 0.2730(5) 0.3407(4) 0.2772(3) 0.038(2) Uani 0.608(8) 1 d D U P C 1
F7_3 F 0.2941(5) 0.3865(4) 0.2562(3) 0.050(2) Uani 0.608(8) 1 d D U P C 1
F8_3 F 0.1937(6) 0.3277(6) 0.2646(4) 0.052(3) Uani 0.608(8) 1 d D U P C 1
F9_3 F 0.3219(12) 0.2976(7) 0.2650(5) 0.046(4) Uani 0.608(8) 1 d D U P C 1
O1_2 O 0.5354(3) 0.34331(18) 0.37470(12) 0.0289(9) Uani 1 1 d D U . . .
C1_2 C 0.5492(3) 0.3741(2) 0.40934(16) 0.0263(11) Uani 1 1 d D U . . .
C2_2 C 0.6459(4) 0.3758(3) 0.42099(19) 0.0385(14) Uani 1 1 d D U . . .
F1_2 F 0.6802(2) 0.32437(18) 0.41598(14) 0.0482(10) Uani 1 1 d D U . . .
F2_2 F 0.6640(3) 0.39079(19) 0.46042(13) 0.0494(10) Uani 1 1 d D U . . .
F3_2 F 0.6843(2) 0.41293(18) 0.39774(13) 0.0452(10) Uani 1 1 d D U . . .
C3_2 C 0.5162(4) 0.4364(2) 0.40277(18) 0.0350(13) Uani 1 1 d D U . . .
F4_2 F 0.4320(3) 0.43839(19) 0.40466(15) 0.0533(11) Uani 1 1 d D U . . .
F5_2 F 0.5327(3) 0.45621(17) 0.36636(12) 0.0468(10) Uani 1 1 d D U . . .
F6_2 F 0.5500(3) 0.47314(17) 0.43098(13) 0.0511(11) Uani 1 1 d D U . . .
C4_2 C 0.5055(4) 0.3459(3) 0.44506(19) 0.0423(15) Uani 1 1 d D U . . .
F7_2 F 0.4273(3) 0.3282(2) 0.43176(14) 0.0523(11) Uani 1 1 d D U . . .
F8_2 F 0.4971(3) 0.3813(2) 0.47641(13) 0.0540(11) Uani 1 1 d D U . . .
F9_2 F 0.5474(3) 0.29963(18) 0.45948(13) 0.0504(11) Uani 1 1 d D U . . .
O1_1 O 0.4359(15) 0.2397(5) 0.3523(8) 0.023(4) Uani 0.512(8) 1 d D U P C 1
C1_1 C 0.4585(6) 0.1839(5) 0.3559(3) 0.026(2) Uani 0.512(8) 1 d D U P C 1
C2_1 C 0.3870(6) 0.1511(4) 0.3753(3) 0.033(2) Uani 0.512(8) 1 d D U P C 1
F1_1 F 0.3568(9) 0.1806(6) 0.4058(5) 0.041(3) Uani 0.512(8) 1 d D U P C 1
F2_1 F 0.4118(6) 0.0995(4) 0.3900(4) 0.045(2) Uani 0.512(8) 1 d D U P C 1
F3_1 F 0.3219(6) 0.1423(8) 0.3482(4) 0.042(3) Uani 0.512(8) 1 d D U P C 1
C3_1 C 0.4692(7) 0.1581(4) 0.3127(3) 0.036(2) Uani 0.512(8) 1 d D U P C 1
F4_1 F 0.5444(6) 0.1719(4) 0.2994(4) 0.053(3) Uani 0.512(8) 1 d D U P C 1
F5_1 F 0.4115(11) 0.1803(10) 0.2857(5) 0.050(4) Uani 0.512(8) 1 d D U P C 1
F6_1 F 0.4646(9) 0.1010(4) 0.3123(5) 0.045(3) Uani 0.512(8) 1 d D U P C 1
C4_1 C 0.5423(7) 0.1761(5) 0.3830(4) 0.045(3) Uani 0.512(8) 1 d D U P C 1
F7_1 F 0.5994(11) 0.2146(8) 0.3724(6) 0.052(4) Uani 0.512(8) 1 d D U P C 1
F8_1 F 0.5762(13) 0.1242(6) 0.3804(6) 0.053(4) Uani 0.512(8) 1 d D U P C 1
F9_1 F 0.5286(8) 0.1834(5) 0.4223(3) 0.061(3) Uani 0.512(8) 1 d D U P C 1
Ag1A Ag 1.30637(11) 0.27667(7) 0.49074(14) 0.0389(5) Uani 0.892(16) 1 d . U P D
1
Ag1B Ag 1.2985(7) 0.2719(5) 0.5034(8) 0.0389(5) Uani 0.108(16) 1 d . U P D 2
Cl1 Cl 1.33791(11) 0.04040(7) 0.48830(7) 0.0515(5) Uani 1 1 d . . . . .
C1 C 1.3712(4) 0.1466(3) 0.5105(2) 0.0327(14) Uani 1 1 d . . . . .
N1 N 1.3469(3) 0.1917(2) 0.5046(2) 0.0414(14) Uani 1 1 d . . . . .
Ag3A Ag 0.33975(7) 0.28487(3) 0.16707(4) 0.0448(3) Uani 0.938(4) 1 d . U P E 1
Ag3B Ag 0.3139(10) 0.2761(5) 0.1805(6) 0.0448(3) Uani 0.062(4) 1 d . U P E 2
Cl3 Cl 1.50746(11) 0.08497(8) 0.50360(8) 0.0599(6) Uani 1 1 d . . . . .
C3 C 1.2499(4) 0.4089(3) 0.4796(2) 0.0326(14) Uani 1 1 d . . . . .
N3 N 0.7664(3) 0.1455(2) 0.32795(18) 0.0342(12) Uani 1 1 d . . . . .
Ag2 Ag 0.79878(3) 0.23082(2) 0.34669(2) 0.04251(14) Uani 1 1 d . . . . .
Cl2 Cl 1.40232(18) 0.07252(12) 0.57061(7) 0.0779(8) Uani 1 1 d . . . . .
C2 C 1.4036(4) 0.0872(3) 0.5183(2) 0.0387(15) Uani 1 1 d . . . . .
N2 N 1.2699(3) 0.3627(2) 0.4820(2) 0.0396(14) Uani 1 1 d . . . . .
Al04 Al -0.02979(9) 0.19347(7) 0.17213(5) 0.0171(3) Uani 1 1 d . . . . .
Cl4 Cl 1.21883(12) 0.49276(7) 0.52900(5) 0.0423(4) Uani 1 1 d . . . . .
C4 C 1.2220(4) 0.4698(3) 0.4780(2) 0.0309(13) Uani 1 1 d . . . . .
N4 N 0.8448(3) 0.3162(2) 0.35868(18) 0.0329(12) Uani 1 1 d . . . . .
Al05 Al 0.46392(9) 0.30990(7) 0.34018(5) 0.0180(3) Uani 1 1 d . . . . .
Cl5 Cl 1.29480(12) 0.51079(8) 0.45260(6) 0.0501(5) Uani 1 1 d . . . . .
C5 C 0.7490(4) 0.0992(3) 0.3206(2) 0.0334(14) Uani 1 1 d . . . . .
N5 N 0.3676(4) 0.1959(2) 0.1745(2) 0.0420(14) Uani 1 1 d . . . . .
O5 O 0.9426(3) 0.25758(17) 0.50415(13) 0.0277(9) Uani 1 1 d . . . . .
Al06 Al 0.96809(9) 0.18561(7) 0.50199(5) 0.0173(3) Uani 1 1 d . . . . .
Cl6 Cl 1.12115(11) 0.47231(7) 0.45126(5) 0.0395(4) Uani 1 1 d . . . . .
C6 C 0.7257(5) 0.0388(3) 0.3116(2) 0.0426(17) Uani 1 1 d . . . . .
N6 N 0.2879(3) 0.3678(2) 0.15810(19) 0.0384(13) Uani 1 1 d . . . . .
Cl7 Cl 0.62824(13) 0.03809(9) 0.28291(8) 0.0614(6) Uani 1 1 d . . . . .
C7 C 0.8704(3) 0.3610(3) 0.35745(19) 0.0264(12) Uani 1 1 d . . . . .
Cl8 Cl 0.7188(3) 0.00406(10) 0.35853(8) 0.1087(14) Uani 1 1 d . . . . .
C8 C 0.9049(4) 0.4200(3) 0.3534(2) 0.0289(13) Uani 1 1 d . . . . .
C9 C 0.3836(4) 0.1483(3) 0.1768(2) 0.0318(14) Uani 1 1 d . . . . .
Cl9 Cl 0.80130(16) 0.00838(11) 0.28257(12) 0.0992(12) Uani 1 1 d . . . . .
F01X F 1.0869(3) 0.37171(17) 0.52835(14) 0.0494(11) Uani 1 1 d . . . . .
Cl18 Cl 0.12275(11) 0.45894(8) 0.11483(7) 0.0523(5) Uani 1 1 d . . . . .
Cl17 Cl 0.28379(12) 0.51466(8) 0.12579(8) 0.0566(5) Uani 1 1 d . . . . .
Cl16 Cl 0.1910(2) 0.49179(11) 0.19593(7) 0.0905(10) Uani 1 1 d . . . . .
Cl15 Cl 0.34897(11) 0.05110(7) 0.13950(6) 0.0411(4) Uani 1 1 d . . . . .
Cl14 Cl 0.51552(11) 0.08336(8) 0.17361(8) 0.0584(6) Uani 1 1 d . . . . .
Cl13 Cl 0.3831(2) 0.06002(10) 0.22680(6) 0.0726(7) Uani 1 1 d . . . . .
C12 C 0.2144(4) 0.4677(3) 0.14783(19) 0.0306(13) Uani 1 1 d . . . . .
Cl12 Cl 0.84130(10) 0.45506(7) 0.31468(6) 0.0417(4) Uani 1 1 d . . . . .
C11 C 0.2555(4) 0.4113(3) 0.1535(2) 0.0327(14) Uani 1 1 d . . . . .
Cl11 Cl 1.00916(9) 0.41434(7) 0.34049(6) 0.0422(4) Uani 1 1 d . . . . .
C10 C 0.4070(4) 0.0873(3) 0.1796(2) 0.0290(13) Uani 1 1 d . . . . .
Cl10 Cl 0.90045(12) 0.45726(8) 0.40023(6) 0.0478(4) Uani 1 1 d . . . . .
F02J F 1.1080(2) 0.28242(17) 0.51574(15) 0.0491(11) Uani 1 1 d . . . . .
F02K F 1.0305(3) 0.2883(2) 0.58546(14) 0.0562(12) Uani 1 1 d . . . . .
F032 F 0.8824(3) 0.34219(18) 0.45906(15) 0.0616(13) Uani 1 1 d . . . . .
F03E F 1.0546(3) 0.3380(2) 0.46770(14) 0.0570(12) Uani 1 1 d . . . . .
F03G F 0.8951(3) 0.2833(2) 0.57750(15) 0.0671(15) Uani 1 1 d . . . . .
F03I F 0.8283(3) 0.3533(2) 0.5167(2) 0.0717(16) Uani 1 1 d . . . . .
F03J F 0.9307(3) 0.40818(17) 0.50094(17) 0.0636(14) Uani 1 1 d . . . . .
F03P F 0.9572(4) 0.3662(2) 0.58016(16) 0.0679(15) Uani 1 1 d . . . . .
C04H C 0.9640(4) 0.3099(2) 0.5190(2) 0.0299(13) Uani 1 1 d . . . . .
C05B C 1.0552(5) 0.3256(3) 0.5082(2) 0.0397(16) Uani 1 1 d . . . . .
C05G C 0.9008(5) 0.3541(3) 0.4988(3) 0.0490(19) Uani 1 1 d . . . . .
C05J C 0.9616(5) 0.3120(4) 0.5661(2) 0.0497(19) 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_15 C1_15 1.354(6) . ?
O1_15 Al06 1.730(4) . ?
C1_15 C4_15 1.543(7) . ?
C1_15 C3_15 1.552(7) . ?
C1_15 C2_15 1.555(6) . ?
C2_15 F3_15 1.329(7) . ?
C2_15 F2_15 1.331(7) . ?
C2_15 F1_15 1.333(7) . ?
C3_15 F4_15 1.330(7) . ?
C3_15 F6_15 1.339(7) . ?
C3_15 F5_15 1.342(7) . ?
C4_15 F9_15 1.320(7) . ?
C4_15 F7_15 1.337(6) . ?
C4_15 F8_15 1.338(7) . ?
O1_14 C1_14 1.360(6) . ?
O1_14 Al06 1.726(4) . ?
C1_14 C2_14 1.541(7) . ?
C1_14 C4_14 1.547(7) . ?
C1_14 C3_14 1.551(7) . ?
C2_14 F1_14 1.325(7) . ?
C2_14 F2_14 1.339(7) . ?
C2_14 F3_14 1.343(7) . ?
C3_14 F4_14 1.333(7) . ?
C3_14 F6_14 1.337(6) . ?
C3_14 F5_14 1.342(7) . ?
C4_14 F9_14 1.327(7) . ?
C4_14 F7_14 1.331(7) . ?
C4_14 F8_14 1.343(6) . ?
O1_13 C1_13 1.347(6) . ?
O1_13 Al04 1.737(4) . ?
C1_13 C3_13 1.546(7) . ?
C1_13 C4_13 1.557(7) . ?
C1_13 C2_13 1.564(7) . ?
C2_13 F1_13 1.316(7) . ?
C2_13 F3_13 1.335(6) . ?
C2_13 F2_13 1.344(6) . ?
C3_13 F5_13 1.334(7) . ?
C3_13 F4_13 1.334(7) . ?
C3_13 F6_13 1.337(6) . ?
C4_13 F7_13 1.331(6) . ?
C4_13 F9_13 1.340(7) . ?
C4_13 F8_13 1.342(6) . ?
O1_12 C1_12 1.362(6) . ?
O1_12 Al04 1.711(4) . ?
C1_12 C2_12 1.542(7) . ?
C1_12 C4_12 1.542(7) . ?
C1_12 C3_12 1.549(7) . ?
C2_12 F1_12 1.333(7) . ?
C2_12 F3_12 1.341(7) . ?
C2_12 F2_12 1.343(7) . ?
C3_12 F5_12 1.326(7) . ?
C3_12 F6_12 1.342(7) . ?
C3_12 F4_12 1.349(7) . ?
C4_12 F9_12 1.329(7) . ?
C4_12 F8_12 1.337(7) . ?
C4_12 F7_12 1.345(7) . ?
O1_11 C1_11 1.350(6) . ?
O1_11 Al04 1.725(4) . ?
C1_11 C2_11 1.539(7) . ?
C1_11 C4_11 1.552(7) . ?
C1_11 C3_11 1.559(8) . ?
C2_11 F1_11 1.327(7) . ?
C2_11 F3_11 1.336(6) . ?
C2_11 F2_11 1.340(7) . ?
C3_11 F4_11 1.327(8) . ?
C3_11 F5_11 1.336(8) . ?
C3_11 F6_11 1.337(7) . ?
F4_11 Ag3B 2.501(14) . ?
C4_11 F8_11 1.331(7) . ?
C4_11 F7_11 1.336(7) . ?
C4_11 F9_11 1.338(7) . ?
O1_10 C1_10 1.352(6) . ?
O1_10 Al05 1.732(4) . ?
C1_10 C3_10 1.545(7) . ?
C1_10 C2_10 1.545(7) . ?
C1_10 C4_10 1.550(7) . ?
C2_10 F2_10 1.330(7) . ?
C2_10 F1_10 1.336(7) . ?
C2_10 F3_10 1.347(7) . ?
C3_10 F5_10 1.326(7) . ?
C3_10 F6_10 1.333(7) . ?
C3_10 F4_10 1.336(7) . ?
C4_10 F9_10 1.327(6) . ?
C4_10 F7_10 1.333(7) . ?
C4_10 F8_10 1.339(6) . ?
O1_9 C1_9 1.358(13) . ?
O1_9 Al06 1.68(2) . ?
C1_9 C3_9 1.540(12) . ?
C1_9 C2_9 1.543(12) . ?
C1_9 C4_9 1.549(12) . ?
C2_9 F1_9 1.333(13) . ?
C2_9 F3_9 1.335(13) . ?
C2_9 F2_9 1.337(12) . ?
C3_9 F4_9 1.327(13) . ?
C3_9 F6_9 1.334(13) . ?
C3_9 F5_9 1.337(13) . ?
C4_9 F7_9 1.324(12) . ?
C4_9 F8_9 1.329(12) . ?
C4_9 F9_9 1.334(13) . ?
O1_8 C1_8 1.355(8) . ?
O1_8 Al06 1.713(12) . ?
C1_8 C3_8 1.536(9) . ?
C1_8 C4_8 1.541(9) . ?
C1_8 C2_8 1.555(9) . ?
C2_8 F2_8 1.325(8) . ?
C2_8 F3_8 1.326(9) . ?
C2_8 F1_8 1.333(10) . ?
C3_8 F4_8 1.324(9) . ?
C3_8 F5_8 1.328(11) . ?
C3_8 F6_8 1.332(9) . ?
C4_8 F9_8 1.323(10) . ?
C4_8 F7_8 1.335(10) . ?
C4_8 F8_8 1.338(9) . ?
O1_7 C1_7 1.359(12) . ?
O1_7 Al04 1.72(2) . ?
C1_7 C4_7 1.539(11) . ?
C1_7 C3_7 1.546(11) . ?
C1_7 C2_7 1.548(11) . ?
C2_7 F3_7 1.336(12) . ?
C2_7 F2_7 1.338(12) . ?
C2_7 F1_7 1.339(12) . ?
C3_7 F5_7 1.337(12) . ?
C3_7 F4_7 1.337(12) . ?
C3_7 F6_7 1.345(12) . ?
C4_7 F8_7 1.338(12) . ?
C4_7 F9_7 1.339(12) . ?
C4_7 F7_7 1.344(12) . ?
O1_6 C1_6 1.353(12) . ?
O1_6 Al05 1.72(2) . ?
C1_6 C2_6 1.540(11) . ?
C1_6 C4_6 1.546(11) . ?
C1_6 C3_6 1.549(11) . ?
C2_6 F3_6 1.326(12) . ?
C2_6 F2_6 1.333(12) . ?
C2_6 F1_6 1.346(13) . ?
C3_6 F4_6 1.329(12) . ?
C3_6 F5_6 1.334(12) . ?
C3_6 F6_6 1.339(12) . ?
C4_6 F8_6 1.333(12) . ?
C4_6 F7_6 1.333(12) . ?
C4_6 F9_6 1.338(11) . ?
O1_5 C1_5 1.347(11) . ?
O1_5 Al05 1.704(18) . ?
C1_5 C3_5 1.541(11) . ?
C1_5 C4_5 1.552(11) . ?
C1_5 C2_5 1.554(11) . ?
C2_5 F3_5 1.321(12) . ?
C2_5 F1_5 1.331(11) . ?
C2_5 F2_5 1.342(11) . ?
C3_5 F5_5 1.326(12) . ?
C3_5 F4_5 1.341(12) . ?
C3_5 F6_5 1.345(11) . ?
C4_5 F8_5 1.329(11) . ?
C4_5 F9_5 1.333(12) . ?
C4_5 F7_5 1.340(11) . ?
O1_4 C1_4 1.358(9) . ?
O1_4 Al04 1.717(15) . ?
C1_4 C2_4 1.540(10) . ?
C1_4 C3_4 1.547(10) . ?
C1_4 C4_4 1.550(10) . ?
C2_4 F3_4 1.332(10) . ?
C2_4 F2_4 1.336(10) . ?
C2_4 F1_4 1.341(11) . ?
C3_4 F4_4 1.334(10) . ?
C3_4 F6_4 1.335(10) . ?
C3_4 F5_4 1.343(11) . ?
C4_4 F9_4 1.332(10) . ?
C4_4 F8_4 1.337(11) . ?
C4_4 F7_4 1.341(11) . ?
O1_3 C1_3 1.348(10) . ?
O1_3 Al05 1.730(15) . ?
C1_3 C4_3 1.538(10) . ?
C1_3 C2_3 1.548(10) . ?
C1_3 C3_3 1.552(10) . ?
C2_3 F1_3 1.329(10) . ?
C2_3 F3_3 1.330(11) . ?
C2_3 F2_3 1.340(10) . ?
C3_3 F5_3 1.330(10) . ?
C3_3 F6_3 1.331(10) . ?
C3_3 F4_3 1.336(11) . ?
C4_3 F7_3 1.326(10) . ?
C4_3 F8_3 1.327(10) . ?
C4_3 F9_3 1.347(11) . ?
O1_2 C1_2 1.342(6) . ?
O1_2 Al05 1.719(4) . ?
C1_2 C3_2 1.548(7) . ?
C1_2 C4_2 1.550(7) . ?
C1_2 C2_2 1.553(7) . ?
C2_2 F1_2 1.329(7) . ?
C2_2 F3_2 1.330(7) . ?
C2_2 F2_2 1.343(7) . ?
C3_2 F5_2 1.321(7) . ?
C3_2 F6_2 1.337(7) . ?
C3_2 F4_2 1.344(7) . ?
C4_2 F8_2 1.329(7) . ?
C4_2 F9_2 1.331(7) . ?
C4_2 F7_2 1.345(7) . ?
O1_1 C1_1 1.347(10) . ?
O1_1 Al05 1.747(16) . ?
C1_1 C2_1 1.545(10) . ?
C1_1 C4_1 1.549(10) . ?
C1_1 C3_1 1.553(11) . ?
C2_1 F3_1 1.321(11) . ?
C2_1 F1_1 1.329(11) . ?
C2_1 F2_1 1.340(10) . ?
C3_1 F5_1 1.325(12) . ?
C3_1 F6_1 1.331(11) . ?
C3_1 F4_1 1.341(11) . ?
C4_1 F8_1 1.326(11) . ?
C4_1 F9_1 1.332(12) . ?
C4_1 F7_1 1.339(12) . ?
Ag1A N2 2.094(6) . ?
Ag1A N1 2.115(6) . ?
Ag1B N1 2.017(11) . ?
Ag1B N2 2.257(16) . ?
Cl1 C2 1.752(8) . ?
C1 N1 1.129(8) . ?
C1 C2 1.490(9) . ?
Ag3A N6 2.107(6) . ?
Ag3A N5 2.125(6) . ?
Ag3B N5 2.066(11) . ?
Ag3B N6 2.280(14) . ?
Cl3 C2 1.755(7) . ?
C3 N2 1.122(8) . ?
C3 C4 1.483(8) . ?
N3 C5 1.131(8) . ?
N3 Ag2 2.127(5) . ?
Ag2 N4 2.140(5) . ?
Cl2 C2 1.742(8) . ?
Cl4 C4 1.755(6) . ?
C4 Cl5 1.756(6) . ?
C4 Cl6 1.762(7) . ?
N4 C7 1.122(8) . ?
C5 C6 1.476(9) . ?
N5 C9 1.136(8) . ?
O5 C04H 1.344(7) . ?
O5 Al06 1.724(4) . ?
C6 Cl9 1.739(7) . ?
C6 Cl8 1.743(8) . ?
C6 Cl7 1.745(8) . ?
N6 C11 1.141(8) . ?
C7 C8 1.486(8) . ?
C8 Cl11 1.745(6) . ?
C8 Cl12 1.755(7) . ?
C8 Cl10 1.764(6) . ?
C9 C10 1.469(8) . ?
F01X C05B 1.335(8) . ?
Cl18 C12 1.753(7) . ?
Cl17 C12 1.746(6) . ?
Cl16 C12 1.736(6) . ?
Cl15 C10 1.756(7) . ?
Cl14 C10 1.752(6) . ?
Cl13 C10 1.735(6) . ?
C12 C11 1.470(9) . ?
F02J C05B 1.319(8) . ?
F02K C05J 1.338(10) . ?
F032 C05G 1.336(10) . ?
F03E C05B 1.351(9) . ?
F03G C05J 1.327(10) . ?
F03I C05G 1.333(10) . ?
F03J C05G 1.343(9) . ?
F03P C05J 1.345(9) . ?
C04H C05J 1.543(10) . ?
C04H C05G 1.547(9) . ?
C04H C05B 1.561(9) . ?

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_15 O1_15 Al06 144.9(3) . . ?
O1_15 C1_15 C4_15 111.5(4) . . ?
O1_15 C1_15 C3_15 110.9(4) . . ?
C4_15 C1_15 C3_15 108.7(5) . . ?
O1_15 C1_15 C2_15 108.0(4) . . ?
C4_15 C1_15 C2_15 108.7(4) . . ?
C3_15 C1_15 C2_15 108.9(4) . . ?
F3_15 C2_15 F2_15 107.6(5) . . ?
F3_15 C2_15 F1_15 107.2(5) . . ?
F2_15 C2_15 F1_15 108.2(5) . . ?
F3_15 C2_15 C1_15 111.2(5) . . ?
F2_15 C2_15 C1_15 112.4(5) . . ?
F1_15 C2_15 C1_15 110.1(4) . . ?
F4_15 C3_15 F6_15 106.7(5) . . ?
F4_15 C3_15 F5_15 108.1(5) . . ?
F6_15 C3_15 F5_15 105.8(5) . . ?
F4_15 C3_15 C1_15 111.9(5) . . ?
F6_15 C3_15 C1_15 113.8(5) . . ?
F5_15 C3_15 C1_15 110.3(5) . . ?
F9_15 C4_15 F7_15 106.9(5) . . ?
F9_15 C4_15 F8_15 106.8(5) . . ?
F7_15 C4_15 F8_15 106.9(5) . . ?
F9_15 C4_15 C1_15 112.3(5) . . ?
F7_15 C4_15 C1_15 109.8(4) . . ?
F8_15 C4_15 C1_15 113.7(5) . . ?
C1_14 O1_14 Al06 146.9(4) . . ?
O1_14 C1_14 C2_14 110.1(4) . . ?
O1_14 C1_14 C4_14 108.5(4) . . ?
C2_14 C1_14 C4_14 109.6(5) . . ?
O1_14 C1_14 C3_14 110.5(4) . . ?
C2_14 C1_14 C3_14 109.7(5) . . ?
C4_14 C1_14 C3_14 108.4(5) . . ?
F1_14 C2_14 F2_14 108.3(5) . . ?
F1_14 C2_14 F3_14 107.1(5) . . ?
F2_14 C2_14 F3_14 106.5(5) . . ?
F1_14 C2_14 C1_14 111.4(5) . . ?
F2_14 C2_14 C1_14 112.8(5) . . ?
F3_14 C2_14 C1_14 110.5(5) . . ?
F4_14 C3_14 F6_14 107.1(5) . . ?
F4_14 C3_14 F5_14 106.9(5) . . ?
F6_14 C3_14 F5_14 106.8(5) . . ?
F4_14 C3_14 C1_14 111.7(4) . . ?
F6_14 C3_14 C1_14 112.5(5) . . ?
F5_14 C3_14 C1_14 111.5(5) . . ?
F9_14 C4_14 F7_14 107.8(5) . . ?
F9_14 C4_14 F8_14 107.2(5) . . ?
F7_14 C4_14 F8_14 107.5(5) . . ?
F9_14 C4_14 C1_14 111.1(5) . . ?
F7_14 C4_14 C1_14 110.6(5) . . ?
F8_14 C4_14 C1_14 112.4(5) . . ?
C1_13 O1_13 Al04 145.5(3) . . ?
O1_13 C1_13 C3_13 111.0(4) . . ?
O1_13 C1_13 C4_13 108.1(4) . . ?
C3_13 C1_13 C4_13 108.9(4) . . ?
O1_13 C1_13 C2_13 111.3(4) . . ?
C3_13 C1_13 C2_13 109.1(4) . . ?
C4_13 C1_13 C2_13 108.5(4) . . ?
F1_13 C2_13 F3_13 108.3(5) . . ?
F1_13 C2_13 F2_13 107.8(5) . . ?
F3_13 C2_13 F2_13 107.1(4) . . ?
F1_13 C2_13 C1_13 110.9(4) . . ?
F3_13 C2_13 C1_13 110.6(5) . . ?
F2_13 C2_13 C1_13 111.9(5) . . ?
F5_13 C3_13 F4_13 106.9(5) . . ?
F5_13 C3_13 F6_13 107.7(5) . . ?
F4_13 C3_13 F6_13 107.0(5) . . ?
F5_13 C3_13 C1_13 111.1(5) . . ?
F4_13 C3_13 C1_13 110.5(5) . . ?
F6_13 C3_13 C1_13 113.3(5) . . ?
F7_13 C4_13 F9_13 107.4(5) . . ?
F7_13 C4_13 F8_13 107.4(5) . . ?
F9_13 C4_13 F8_13 106.8(5) . . ?
F7_13 C4_13 C1_13 111.2(4) . . ?
F9_13 C4_13 C1_13 110.6(5) . . ?
F8_13 C4_13 C1_13 113.1(5) . . ?
C1_12 O1_12 Al04 148.7(4) . . ?
O1_12 C1_12 C2_12 107.6(4) . . ?
O1_12 C1_12 C4_12 110.9(4) . . ?
C2_12 C1_12 C4_12 109.1(5) . . ?
O1_12 C1_12 C3_12 111.2(4) . . ?
C2_12 C1_12 C3_12 108.8(5) . . ?
C4_12 C1_12 C3_12 109.3(5) . . ?
F1_12 C2_12 F3_12 107.4(5) . . ?
F1_12 C2_12 F2_12 107.1(5) . . ?
F3_12 C2_12 F2_12 107.0(5) . . ?
F1_12 C2_12 C1_12 111.5(5) . . ?
F3_12 C2_12 C1_12 110.9(5) . . ?
F2_12 C2_12 C1_12 112.7(5) . . ?
F5_12 C3_12 F6_12 107.8(5) . . ?
F5_12 C3_12 F4_12 107.1(5) . . ?
F6_12 C3_12 F4_12 106.8(5) . . ?
F5_12 C3_12 C1_12 111.6(5) . . ?
F6_12 C3_12 C1_12 112.4(5) . . ?
F4_12 C3_12 C1_12 110.9(5) . . ?
F9_12 C4_12 F8_12 108.4(5) . . ?
F9_12 C4_12 F7_12 107.0(5) . . ?
F8_12 C4_12 F7_12 107.1(5) . . ?
F9_12 C4_12 C1_12 111.4(5) . . ?
F8_12 C4_12 C1_12 112.6(5) . . ?
F7_12 C4_12 C1_12 110.0(5) . . ?
C1_11 O1_11 Al04 146.6(4) . . ?
O1_11 C1_11 C2_11 111.8(4) . . ?
O1_11 C1_11 C4_11 108.4(5) . . ?
C2_11 C1_11 C4_11 109.5(5) . . ?
O1_11 C1_11 C3_11 110.5(5) . . ?
C2_11 C1_11 C3_11 108.6(5) . . ?
C4_11 C1_11 C3_11 107.9(5) . . ?
F1_11 C2_11 F3_11 106.4(5) . . ?
F1_11 C2_11 F2_11 107.2(5) . . ?
F3_11 C2_11 F2_11 106.9(5) . . ?
F1_11 C2_11 C1_11 111.7(5) . . ?
F3_11 C2_11 C1_11 110.7(5) . . ?
F2_11 C2_11 C1_11 113.6(5) . . ?
F4_11 C3_11 F5_11 106.8(6) . . ?
F4_11 C3_11 F6_11 107.2(6) . . ?
F5_11 C3_11 F6_11 107.0(6) . . ?
F4_11 C3_11 C1_11 110.5(5) . . ?
F5_11 C3_11 C1_11 111.9(5) . . ?
F6_11 C3_11 C1_11 113.2(5) . . ?
C3_11 F4_11 Ag3B 127.8(6) . . ?
F8_11 C4_11 F7_11 107.9(5) . . ?
F8_11 C4_11 F9_11 107.1(5) . . ?
F7_11 C4_11 F9_11 107.5(6) . . ?
F8_11 C4_11 C1_11 113.1(5) . . ?
F7_11 C4_11 C1_11 111.1(5) . . ?
F9_11 C4_11 C1_11 109.9(5) . . ?
C1_10 O1_10 Al05 145.7(4) . . ?
O1_10 C1_10 C3_10 107.9(4) . . ?
O1_10 C1_10 C2_10 111.8(5) . . ?
C3_10 C1_10 C2_10 108.3(4) . . ?
O1_10 C1_10 C4_10 110.6(4) . . ?
C3_10 C1_10 C4_10 110.0(5) . . ?
C2_10 C1_10 C4_10 108.1(5) . . ?
F2_10 C2_10 F1_10 107.6(5) . . ?
F2_10 C2_10 F3_10 107.5(5) . . ?
F1_10 C2_10 F3_10 106.1(5) . . ?
F2_10 C2_10 C1_10 113.8(5) . . ?
F1_10 C2_10 C1_10 111.8(5) . . ?
F3_10 C2_10 C1_10 109.7(5) . . ?
F5_10 C3_10 F6_10 107.5(5) . . ?
F5_10 C3_10 F4_10 107.3(5) . . ?
F6_10 C3_10 F4_10 107.3(5) . . ?
F5_10 C3_10 C1_10 110.9(5) . . ?
F6_10 C3_10 C1_10 113.0(5) . . ?
F4_10 C3_10 C1_10 110.6(5) . . ?
F9_10 C4_10 F7_10 107.7(5) . . ?
F9_10 C4_10 F8_10 107.4(5) . . ?
F7_10 C4_10 F8_10 106.5(5) . . ?
F9_10 C4_10 C1_10 111.4(4) . . ?
F7_10 C4_10 C1_10 110.9(5) . . ?
F8_10 C4_10 C1_10 112.6(5) . . ?
C1_9 O1_9 Al06 152(3) . . ?
O1_9 C1_9 C3_9 109.9(17) . . ?
O1_9 C1_9 C2_9 110.2(17) . . ?
C3_9 C1_9 C2_9 109.8(11) . . ?
O1_9 C1_9 C4_9 109.7(17) . . ?
C3_9 C1_9 C4_9 110.4(11) . . ?
C2_9 C1_9 C4_9 106.8(10) . . ?
F1_9 C2_9 F3_9 103.4(15) . . ?
F1_9 C2_9 F2_9 108.8(15) . . ?
F3_9 C2_9 F2_9 106.4(15) . . ?
F1_9 C2_9 C1_9 111.3(12) . . ?
F3_9 C2_9 C1_9 112.8(14) . . ?
F2_9 C2_9 C1_9 113.5(11) . . ?
F4_9 C3_9 F6_9 108.2(17) . . ?
F4_9 C3_9 F5_9 105.2(16) . . ?
F6_9 C3_9 F5_9 104.0(15) . . ?
F4_9 C3_9 C1_9 112.6(16) . . ?
F6_9 C3_9 C1_9 113.4(14) . . ?
F5_9 C3_9 C1_9 112.8(12) . . ?
F7_9 C4_9 F8_9 107.3(14) . . ?
F7_9 C4_9 F9_9 105.0(15) . . ?
F8_9 C4_9 F9_9 108.9(16) . . ?
F7_9 C4_9 C1_9 110.9(12) . . ?
F8_9 C4_9 C1_9 114.0(12) . . ?
F9_9 C4_9 C1_9 110.3(14) . . ?
C1_8 O1_8 Al06 147.8(13) . . ?
O1_8 C1_8 C3_8 112.3(9) . . ?
O1_8 C1_8 C4_8 109.9(9) . . ?
C3_8 C1_8 C4_8 108.8(7) . . ?
O1_8 C1_8 C2_8 108.4(9) . . ?
C3_8 C1_8 C2_8 108.5(6) . . ?
C4_8 C1_8 C2_8 108.9(6) . . ?
F2_8 C2_8 F3_8 108.3(7) . . ?
F2_8 C2_8 F1_8 108.8(8) . . ?
F3_8 C2_8 F1_8 104.4(8) . . ?
F2_8 C2_8 C1_8 113.6(7) . . ?
F3_8 C2_8 C1_8 111.3(7) . . ?
F1_8 C2_8 C1_8 109.9(7) . . ?
F4_8 C3_8 F5_8 106.0(9) . . ?
F4_8 C3_8 F6_8 105.8(8) . . ?
F5_8 C3_8 F6_8 107.6(10) . . ?
F4_8 C3_8 C1_8 113.3(7) . . ?
F5_8 C3_8 C1_8 110.6(9) . . ?
F6_8 C3_8 C1_8 113.1(8) . . ?
F9_8 C4_8 F7_8 107.1(9) . . ?
F9_8 C4_8 F8_8 107.4(9) . . ?
F7_8 C4_8 F8_8 106.4(9) . . ?
F9_8 C4_8 C1_8 111.7(7) . . ?
F7_8 C4_8 C1_8 111.4(8) . . ?
F8_8 C4_8 C1_8 112.6(7) . . ?
C1_7 O1_7 Al04 145(2) . . ?
O1_7 C1_7 C4_7 110.9(16) . . ?
O1_7 C1_7 C3_7 108.1(15) . . ?
C4_7 C1_7 C3_7 109.1(10) . . ?
O1_7 C1_7 C2_7 109.8(16) . . ?
C4_7 C1_7 C2_7 110.1(10) . . ?
C3_7 C1_7 C2_7 108.9(10) . . ?
F3_7 C2_7 F2_7 107.2(15) . . ?
F3_7 C2_7 F1_7 109.0(13) . . ?
F2_7 C2_7 F1_7 104.1(13) . . ?
F3_7 C2_7 C1_7 111.3(13) . . ?
F2_7 C2_7 C1_7 113.9(13) . . ?
F1_7 C2_7 C1_7 110.9(10) . . ?
F5_7 C3_7 F4_7 110.0(12) . . ?
F5_7 C3_7 F6_7 104.8(12) . . ?
F4_7 C3_7 F6_7 108.3(14) . . ?
F5_7 C3_7 C1_7 110.3(10) . . ?
F4_7 C3_7 C1_7 112.0(11) . . ?
F6_7 C3_7 C1_7 111.1(13) . . ?
F8_7 C4_7 F9_7 106.5(16) . . ?
F8_7 C4_7 F7_7 104.3(14) . . ?
F9_7 C4_7 F7_7 108.3(13) . . ?
F8_7 C4_7 C1_7 115.1(14) . . ?
F9_7 C4_7 C1_7 110.7(12) . . ?
F7_7 C4_7 C1_7 111.6(10) . . ?
C1_6 O1_6 Al05 148(2) . . ?
O1_6 C1_6 C2_6 110.4(16) . . ?
O1_6 C1_6 C4_6 108.8(16) . . ?
C2_6 C1_6 C4_6 109.6(10) . . ?
O1_6 C1_6 C3_6 109.8(16) . . ?
C2_6 C1_6 C3_6 109.2(10) . . ?
C4_6 C1_6 C3_6 109.0(9) . . ?
F3_6 C2_6 F2_6 107.3(12) . . ?
F3_6 C2_6 F1_6 105.6(14) . . ?
F2_6 C2_6 F1_6 107.0(16) . . ?
F3_6 C2_6 C1_6 112.8(11) . . ?
F2_6 C2_6 C1_6 112.5(12) . . ?
F1_6 C2_6 C1_6 111.1(14) . . ?
F4_6 C3_6 F5_6 106.3(14) . . ?
F4_6 C3_6 F6_6 107.1(12) . . ?
F5_6 C3_6 F6_6 107.0(15) . . ?
F4_6 C3_6 C1_6 112.1(10) . . ?
F5_6 C3_6 C1_6 110.5(12) . . ?
F6_6 C3_6 C1_6 113.4(12) . . ?
F8_6 C4_6 F7_6 108.3(15) . . ?
F8_6 C4_6 F9_6 106.4(12) . . ?
F7_6 C4_6 F9_6 107.5(13) . . ?
F8_6 C4_6 C1_6 113.3(13) . . ?
F7_6 C4_6 C1_6 110.6(13) . . ?
F9_6 C4_6 C1_6 110.4(10) . . ?
C1_5 O1_5 Al05 149(2) . . ?
O1_5 C1_5 C3_5 111.2(13) . . ?
O1_5 C1_5 C4_5 110.9(14) . . ?
C3_5 C1_5 C4_5 109.0(9) . . ?
O1_5 C1_5 C2_5 108.6(13) . . ?
C3_5 C1_5 C2_5 108.5(9) . . ?
C4_5 C1_5 C2_5 108.6(9) . . ?
F3_5 C2_5 F1_5 105.6(12) . . ?
F3_5 C2_5 F2_5 108.4(13) . . ?
F1_5 C2_5 F2_5 108.8(10) . . ?
F3_5 C2_5 C1_5 110.9(12) . . ?
F1_5 C2_5 C1_5 110.9(9) . . ?
F2_5 C2_5 C1_5 112.0(10) . . ?
F5_5 C3_5 F4_5 105.7(13) . . ?
F5_5 C3_5 F6_5 107.4(12) . . ?
F4_5 C3_5 F6_5 105.8(13) . . ?
F5_5 C3_5 C1_5 113.0(11) . . ?
F4_5 C3_5 C1_5 111.7(12) . . ?
F6_5 C3_5 C1_5 112.7(10) . . ?
F8_5 C4_5 F9_5 107.2(14) . . ?
F8_5 C4_5 F7_5 105.2(12) . . ?
F9_5 C4_5 F7_5 109.2(12) . . ?
F8_5 C4_5 C1_5 113.7(12) . . ?
F9_5 C4_5 C1_5 110.7(12) . . ?
F7_5 C4_5 C1_5 110.6(9) . . ?
C1_4 O1_4 Al04 147.5(16) . . ?
O1_4 C1_4 C2_4 108.2(11) . . ?
O1_4 C1_4 C3_4 111.3(11) . . ?
C2_4 C1_4 C3_4 108.7(8) . . ?
O1_4 C1_4 C4_4 110.2(11) . . ?
C2_4 C1_4 C4_4 109.7(8) . . ?
C3_4 C1_4 C4_4 108.7(7) . . ?
F3_4 C2_4 F2_4 104.7(10) . . ?
F3_4 C2_4 F1_4 108.0(9) . . ?
F2_4 C2_4 F1_4 108.7(11) . . ?
F3_4 C2_4 C1_4 110.6(8) . . ?
F2_4 C2_4 C1_4 113.7(11) . . ?
F1_4 C2_4 C1_4 110.9(9) . . ?
F4_4 C3_4 F6_4 106.7(10) . . ?
F4_4 C3_4 F5_4 107.4(9) . . ?
F6_4 C3_4 F5_4 107.3(11) . . ?
F4_4 C3_4 C1_4 111.7(7) . . ?
F6_4 C3_4 C1_4 113.2(10) . . ?
F5_4 C3_4 C1_4 110.2(9) . . ?
F9_4 C4_4 F8_4 105.8(10) . . ?
F9_4 C4_4 F7_4 108.8(9) . . ?
F8_4 C4_4 F7_4 108.9(12) . . ?
F9_4 C4_4 C1_4 110.8(8) . . ?
F8_4 C4_4 C1_4 112.1(10) . . ?
F7_4 C4_4 C1_4 110.3(9) . . ?
C1_3 O1_3 Al05 146.7(15) . . ?
O1_3 C1_3 C4_3 111.2(11) . . ?
O1_3 C1_3 C2_3 112.1(11) . . ?
C4_3 C1_3 C2_3 108.5(7) . . ?
O1_3 C1_3 C3_3 107.4(11) . . ?
C4_3 C1_3 C3_3 108.4(7) . . ?
C2_3 C1_3 C3_3 109.0(7) . . ?
F1_3 C2_3 F3_3 106.0(10) . . ?
F1_3 C2_3 F2_3 106.6(9) . . ?
F3_3 C2_3 F2_3 107.8(11) . . ?
F1_3 C2_3 C1_3 111.2(8) . . ?
F3_3 C2_3 C1_3 112.3(10) . . ?
F2_3 C2_3 C1_3 112.5(9) . . ?
F5_3 C3_3 F6_3 106.3(9) . . ?
F5_3 C3_3 F4_3 107.9(11) . . ?
F6_3 C3_3 F4_3 107.8(12) . . ?
F5_3 C3_3 C1_3 110.8(7) . . ?
F6_3 C3_3 C1_3 112.9(10) . . ?
F4_3 C3_3 C1_3 110.9(10) . . ?
F7_3 C4_3 F8_3 107.2(9) . . ?
F7_3 C4_3 F9_3 105.5(10) . . ?
F8_3 C4_3 F9_3 107.1(11) . . ?
F7_3 C4_3 C1_3 111.7(8) . . ?
F8_3 C4_3 C1_3 114.2(9) . . ?
F9_3 C4_3 C1_3 110.6(10) . . ?
C1_2 O1_2 Al05 148.0(4) . . ?
O1_2 C1_2 C3_2 110.6(4) . . ?
O1_2 C1_2 C4_2 110.8(4) . . ?
C3_2 C1_2 C4_2 109.5(5) . . ?
O1_2 C1_2 C2_2 108.1(4) . . ?
C3_2 C1_2 C2_2 109.1(5) . . ?
C4_2 C1_2 C2_2 108.6(5) . . ?
F1_2 C2_2 F3_2 107.6(5) . . ?
F1_2 C2_2 F2_2 107.1(5) . . ?
F3_2 C2_2 F2_2 107.8(5) . . ?
F1_2 C2_2 C1_2 110.8(5) . . ?
F3_2 C2_2 C1_2 111.4(5) . . ?
F2_2 C2_2 C1_2 111.9(5) . . ?
F5_2 C3_2 F6_2 107.5(5) . . ?
F5_2 C3_2 F4_2 107.4(5) . . ?
F6_2 C3_2 F4_2 106.9(5) . . ?
F5_2 C3_2 C1_2 111.2(5) . . ?
F6_2 C3_2 C1_2 112.9(5) . . ?
F4_2 C3_2 C1_2 110.6(5) . . ?
F8_2 C4_2 F9_2 107.8(5) . . ?
F8_2 C4_2 F7_2 107.0(5) . . ?
F9_2 C4_2 F7_2 106.9(5) . . ?
F8_2 C4_2 C1_2 113.3(5) . . ?
F9_2 C4_2 C1_2 111.5(5) . . ?
F7_2 C4_2 C1_2 110.1(5) . . ?
C1_1 O1_1 Al05 148.0(18) . . ?
O1_1 C1_1 C2_1 108.1(12) . . ?
O1_1 C1_1 C4_1 111.9(12) . . ?
C2_1 C1_1 C4_1 109.4(8) . . ?
O1_1 C1_1 C3_1 110.0(12) . . ?
C2_1 C1_1 C3_1 108.6(8) . . ?
C4_1 C1_1 C3_1 108.7(8) . . ?
F3_1 C2_1 F1_1 105.8(11) . . ?
F3_1 C2_1 F2_1 107.0(11) . . ?
F1_1 C2_1 F2_1 107.8(10) . . ?
F3_1 C2_1 C1_1 111.2(9) . . ?
F1_1 C2_1 C1_1 112.0(9) . . ?
F2_1 C2_1 C1_1 112.7(8) . . ?
F5_1 C3_1 F6_1 110.4(13) . . ?
F5_1 C3_1 F4_1 106.1(12) . . ?
F6_1 C3_1 F4_1 106.5(9) . . ?
F5_1 C3_1 C1_1 109.6(11) . . ?
F6_1 C3_1 C1_1 112.6(9) . . ?
F4_1 C3_1 C1_1 111.5(9) . . ?
F8_1 C4_1 F9_1 106.0(12) . . ?
F8_1 C4_1 F7_1 107.9(13) . . ?
F9_1 C4_1 F7_1 109.3(13) . . ?
F8_1 C4_1 C1_1 113.9(11) . . ?
F9_1 C4_1 C1_1 109.6(9) . . ?
F7_1 C4_1 C1_1 110.0(11) . . ?
N2 Ag1A N1 175.2(3) . . ?
N1 Ag1B N2 159.6(14) . . ?
N1 C1 C2 179.7(9) . . ?
C1 N1 Ag1B 170.7(10) . . ?
C1 N1 Ag1A 176.7(6) . . ?
N6 Ag3A N5 169.0(2) . . ?
N5 Ag3B N6 151.5(12) . . ?
N5 Ag3B F4_11 94.3(5) . . ?
N6 Ag3B F4_11 90.9(4) . . ?
N2 C3 C4 177.9(7) . . ?
C5 N3 Ag2 175.5(6) . . ?
N3 Ag2 N4 171.4(2) . . ?
C1 C2 Cl2 108.6(5) . . ?
C1 C2 Cl1 107.3(5) . . ?
Cl2 C2 Cl1 112.0(4) . . ?
C1 C2 Cl3 107.4(5) . . ?
Cl2 C2 Cl3 110.4(4) . . ?
Cl1 C2 Cl3 111.0(4) . . ?
C3 N2 Ag1A 176.1(6) . . ?
C3 N2 Ag1B 165.0(9) . . ?
O1_12 Al04 O1_4 108.7(7) . . ?
O1_12 Al04 O1_7 109.4(10) . . ?
O1_12 Al04 O1_11 108.0(2) . . ?
O1_4 Al04 O1_11 111.0(7) . . ?
O1_7 Al04 O1_11 112.6(12) . . ?
O1_12 Al04 O1_13 114.1(2) . . ?
O1_4 Al04 O1_13 108.0(7) . . ?
O1_7 Al04 O1_13 105.8(10) . . ?
O1_11 Al04 O1_13 107.1(2) . . ?
C3 C4 Cl4 106.7(5) . . ?
C3 C4 Cl5 109.3(4) . . ?
Cl4 C4 Cl5 110.6(3) . . ?
C3 C4 Cl6 107.9(5) . . ?
Cl4 C4 Cl6 111.5(3) . . ?
Cl5 C4 Cl6 110.8(4) . . ?
C7 N4 Ag2 167.3(6) . . ?
O1_5 Al05 O1_2 110.4(9) . . ?
O1_5 Al05 O1_6 108.7(14) . . ?
O1_2 Al05 O1_6 109.0(11) . . ?
O1_2 Al05 O1_3 108.9(7) . . ?
O1_5 Al05 O1_10 108.8(9) . . ?
O1_2 Al05 O1_10 107.4(2) . . ?
O1_6 Al05 O1_10 112.5(12) . . ?
O1_3 Al05 O1_10 113.6(8) . . ?
O1_2 Al05 O1_1 116.1(8) . . ?
O1_3 Al05 O1_1 106.5(10) . . ?
O1_10 Al05 O1_1 104.4(8) . . ?
N3 C5 C6 179.1(8) . . ?
C9 N5 Ag3B 164.7(9) . . ?
C9 N5 Ag3A 177.0(7) . . ?
C04H O5 Al06 147.2(4) . . ?
O1_9 Al06 O5 109.8(12) . . ?
O1_8 Al06 O5 108.1(6) . . ?
O1_9 Al06 O1_14 114.5(13) . . ?
O1_8 Al06 O1_14 113.7(6) . . ?
O5 Al06 O1_14 107.2(2) . . ?
O1_9 Al06 O1_15 106.0(13) . . ?
O1_8 Al06 O1_15 108.5(5) . . ?
O5 Al06 O1_15 111.7(2) . . ?
O1_14 Al06 O1_15 107.7(2) . . ?
C5 C6 Cl9 108.8(5) . . ?
C5 C6 Cl8 107.4(5) . . ?
Cl9 C6 Cl8 112.7(5) . . ?
C5 C6 Cl7 108.3(5) . . ?
Cl9 C6 Cl7 108.9(4) . . ?
Cl8 C6 Cl7 110.6(4) . . ?
C11 N6 Ag3A 176.1(6) . . ?
C11 N6 Ag3B 160.1(8) . . ?
N4 C7 C8 176.8(7) . . ?
C7 C8 Cl11 108.4(4) . . ?
C7 C8 Cl12 107.3(4) . . ?
Cl11 C8 Cl12 111.3(4) . . ?
C7 C8 Cl10 109.6(4) . . ?
Cl11 C8 Cl10 110.6(3) . . ?
Cl12 C8 Cl10 109.6(3) . . ?
N5 C9 C10 178.2(7) . . ?
C11 C12 Cl16 107.4(5) . . ?
C11 C12 Cl17 108.8(5) . . ?
Cl16 C12 Cl17 111.1(4) . . ?
C11 C12 Cl18 108.1(5) . . ?
Cl16 C12 Cl18 111.5(4) . . ?
Cl17 C12 Cl18 109.9(4) . . ?
N6 C11 C12 179.3(8) . . ?
C9 C10 Cl13 109.7(5) . . ?
C9 C10 Cl14 106.8(4) . . ?
Cl13 C10 Cl14 111.6(4) . . ?
C9 C10 Cl15 107.4(5) . . ?
Cl13 C10 Cl15 110.4(3) . . ?
Cl14 C10 Cl15 110.7(4) . . ?
O5 C04H C05J 111.3(5) . . ?
O5 C04H C05G 108.1(5) . . ?
C05J C04H C05G 109.8(6) . . ?
O5 C04H C05B 110.0(5) . . ?
C05J C04H C05B 108.4(6) . . ?
C05G C04H C05B 109.2(6) . . ?
F02J C05B F01X 108.1(6) . . ?
F02J C05B F03E 107.5(6) . . ?
F01X C05B F03E 106.5(5) . . ?
F02J C05B C04H 111.5(5) . . ?
F01X C05B C04H 113.2(6) . . ?
F03E C05B C04H 109.7(6) . . ?
F03I C05G F032 107.1(7) . . ?
F03I C05G F03J 107.7(6) . . ?
F032 C05G F03J 107.1(7) . . ?
F03I C05G C04H 110.9(7) . . ?
F032 C05G C04H 111.1(6) . . ?
F03J C05G C04H 112.6(6) . . ?
F03G C05J F02K 107.4(7) . . ?
F03G C05J F03P 108.1(7) . . ?
F02K C05J F03P 106.7(6) . . ?
F03G C05J C04H 110.3(6) . . ?
F02K C05J C04H 111.9(6) . . ?
F03P C05J C04H 112.1(7) . . ?

_refine_diff_density_max         1.295
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.127

####################################################################### 
# 
# 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_test_twin1_hklf4_a
_database_code_depnum_ccdc_archive 'CCDC 1960200'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 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         ?
_chemical_formula_sum            'C16 Al Cu F36 O6 S'
_chemical_formula_weight         1094.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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                   10.7624(4)
_cell_length_b                   17.9916(8)
_cell_length_c                   15.7057(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.206(4)
_cell_angle_gamma                90
_cell_volume                     3010.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9049
_cell_measurement_theta_min      3.6920
_cell_measurement_theta_max      75.5530

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.416
_exptl_crystal_F_000             2104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.498
_shelx_estimated_absorpt_T_min   0.452
_shelx_estimated_absorpt_T_max   0.662
_exptl_absorpt_correction_T_min  0.58162
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   CuK\a
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       'SuperNova, Single source at offset, Atlas'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27123
_diffrn_reflns_av_unetI/netI     0.0777
_diffrn_reflns_av_R_equivalents  0.1371
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.758
_diffrn_reflns_theta_max         76.140
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             6158
_reflns_number_gt                4218
_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       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.55a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_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)+(0.0846P)²+5.8428P] 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         6158
_refine_ls_number_parameters     550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0645
_refine_ls_wR_factor_ref         0.1737
_refine_ls_wR_factor_gt          0.1478
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.000
_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
Cu1 Cu 0.48579(7) 0.48942(4) 0.69563(5) 0.0303(2) Uani 1 1 d . . . . .
Al1 Al 0.42222(11) 0.33628(8) 0.72901(8) 0.0187(3) Uani 1 1 d . . . . .
S1 S 0.53723(13) 0.66012(8) 0.73112(11) 0.0428(4) Uani 1 1 d . . . . .
O1 O 0.5438(5) 0.6506(3) 0.8207(3) 0.0631(15) Uani 1 1 d . . . . .
O2 O 0.5103(4) 0.5950(2) 0.6784(3) 0.0404(9) Uani 1 1 d . . . . .
O1_1 O 0.3590(3) 0.33080(19) 0.8218(2) 0.0230(7) Uani 1 1 d . . . . .
C1_1 C 0.3063(4) 0.3562(3) 0.8894(3) 0.0239(10) Uani 1 1 d . . . . .
C2_1 C 0.3108(5) 0.2916(4) 0.9568(3) 0.0356(13) Uani 1 1 d . . . . .
F1_1 F 0.2301(3) 0.2383(2) 0.9274(2) 0.0457(9) Uani 1 1 d . . . . .
F2_1 F 0.2785(4) 0.3158(2) 1.0310(2) 0.0486(9) Uani 1 1 d . . . . .
F3_1 F 0.4243(3) 0.2628(2) 0.9719(2) 0.0428(8) Uani 1 1 d . . . . .
C3_1 C 0.3802(5) 0.4248(3) 0.9317(3) 0.0314(12) Uani 1 1 d . . . . .
F4_1 F 0.4094(3) 0.47088(19) 0.8691(2) 0.0404(8) Uani 1 1 d . . . . .
F5_1 F 0.4878(3) 0.4044(2) 0.9769(2) 0.0467(9) Uani 1 1 d . . . . .
F6_1 F 0.3157(3) 0.4635(2) 0.9817(2) 0.0483(9) Uani 1 1 d . . . . .
C4_1 C 0.1680(4) 0.3790(3) 0.8593(3) 0.0280(11) Uani 1 1 d . . . . .
F7_1 F 0.1646(3) 0.44131(18) 0.81251(19) 0.0349(7) Uani 1 1 d . . . . .
F8_1 F 0.1034(3) 0.3917(2) 0.92420(19) 0.0376(7) Uani 1 1 d . . . . .
F9_1 F 0.1080(3) 0.32616(18) 0.8102(2) 0.0360(7) Uani 1 1 d . . . . .
O1_2 O 0.4428(3) 0.25025(19) 0.68606(19) 0.0216(7) Uani 1 1 d . . . . .
C1_2 C 0.4209(4) 0.1757(3) 0.6851(3) 0.0233(10) Uani 1 1 d . . . . .
C2_2 C 0.2770(4) 0.1601(3) 0.6767(3) 0.0257(10) Uani 1 1 d . . . . .
F1_2 F 0.2244(2) 0.20489(17) 0.72986(18) 0.0291(6) Uani 1 1 d . . . . .
F2_2 F 0.2494(3) 0.09108(17) 0.6965(2) 0.0338(7) Uani 1 1 d . . . . .
F3_2 F 0.2206(3) 0.17341(18) 0.59726(18) 0.0325(7) Uani 1 1 d . . . . .
C3_2 C 0.4731(4) 0.1400(3) 0.6071(3) 0.0268(10) Uani 1 1 d . . . . .
F4_2 F 0.5965(3) 0.13017(18) 0.62441(19) 0.0340(7) Uani 1 1 d . . . . .
F5_2 F 0.4516(3) 0.18404(18) 0.53902(18) 0.0353(7) Uani 1 1 d . . . . .
F6_2 F 0.4198(3) 0.07429(17) 0.58593(19) 0.0344(7) Uani 1 1 d . . . . .
C4_2 C 0.4859(5) 0.1382(3) 0.7698(3) 0.0277(11) Uani 1 1 d . . . . .
F7_2 F 0.6051(3) 0.15836(17) 0.78618(19) 0.0324(7) Uani 1 1 d . . . . .
F8_2 F 0.4820(3) 0.06422(17) 0.76433(19) 0.0322(7) Uani 1 1 d . . . . .
F9_2 F 0.4298(3) 0.15848(18) 0.83605(18) 0.0359(7) Uani 1 1 d . . . . .
O1_3 O 0.3456(3) 0.40490(19) 0.65734(19) 0.0229(7) Uani 1 1 d . . . . .
C1_3 C 0.2648(4) 0.4128(3) 0.5803(3) 0.0237(10) Uani 1 1 d . . . . .
C2_3 C 0.2578(5) 0.4960(3) 0.5557(3) 0.0324(12) Uani 1 1 d . . . . .
F1_3 F 0.2464(3) 0.53841(18) 0.62353(19) 0.0343(7) Uani 1 1 d . . . . .
F2_3 F 0.1624(3) 0.51102(18) 0.4942(2) 0.0400(8) Uani 1 1 d . . . . .
F3_3 F 0.3640(3) 0.51709(19) 0.5257(2) 0.0395(8) Uani 1 1 d . . . . .
C3_3 C 0.3152(5) 0.3676(3) 0.5084(3) 0.0298(11) Uani 1 1 d . . . . .
F4_3 F 0.2828(3) 0.29701(18) 0.51060(19) 0.0361(7) Uani 1 1 d . . . . .
F5_3 F 0.4400(3) 0.3717(2) 0.51669(19) 0.0366(7) Uani 1 1 d . . . . .
F6_3 F 0.2706(3) 0.3940(2) 0.42947(18) 0.0371(8) Uani 1 1 d . . . . .
C4_3 C 0.1314(5) 0.3861(3) 0.5908(3) 0.0279(11) Uani 1 1 d . . . . .
F7_3 F 0.1376(3) 0.32211(17) 0.63407(19) 0.0330(7) Uani 1 1 d . . . . .
F8_3 F 0.0618(3) 0.37404(19) 0.51401(19) 0.0358(7) Uani 1 1 d . . . . .
F9_3 F 0.0719(2) 0.43548(19) 0.63312(19) 0.0336(7) Uani 1 1 d . . . . .
O1_4 O 0.5649(3) 0.39064(19) 0.7426(2) 0.0229(7) Uani 1 1 d . . . . .
C1_4 C 0.6930(4) 0.3801(3) 0.7645(3) 0.0257(11) Uani 1 1 d . . . . .
C2_4 C 0.7223(4) 0.3384(3) 0.8525(3) 0.0282(11) Uani 1 1 d . . . . .
F1_4 F 0.7243(3) 0.38534(19) 0.91784(19) 0.0370(7) Uani 1 1 d . . . . .
F2_4 F 0.8322(3) 0.30427(19) 0.85939(18) 0.0331(7) Uani 1 1 d . . . . .
F3_4 F 0.6334(3) 0.28878(17) 0.85924(18) 0.0298(6) Uani 1 1 d . . . . .
C3_4 C 0.7428(4) 0.3348(3) 0.6927(3) 0.0321(12) Uani 1 1 d . . . . .
F4_4 F 0.6883(3) 0.3574(2) 0.61499(19) 0.0422(8) Uani 1 1 d . . . . .
F5_4 F 0.7177(3) 0.26262(18) 0.69913(19) 0.0319(7) Uani 1 1 d . . . . .
F6_4 F 0.8670(3) 0.3419(2) 0.6943(2) 0.0383(8) Uani 1 1 d . . . . .
C4_4 C 0.7585(5) 0.4571(3) 0.7731(4) 0.0361(13) Uani 1 1 d . . . . .
F7_4 F 0.7594(3) 0.4877(2) 0.6952(2) 0.0433(9) Uani 1 1 d . . . . .
F8_4 F 0.8767(3) 0.45099(19) 0.8111(2) 0.0414(8) Uani 1 1 d . . . . .
F9_4 F 0.6988(3) 0.50408(18) 0.8181(2) 0.0415(8) 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
Cu1 O2 1.941(4) . ?
Cu1 O1_4 2.061(3) . ?
Cu1 O1_3 2.166(3) . ?
Cu1 Al1 2.9047(16) . ?
Al1 O1_1 1.697(4) . ?
Al1 O1_2 1.715(4) . ?
Al1 O1_3 1.791(3) . ?
Al1 O1_4 1.807(3) . ?
S1 O1 1.408(6) . ?
S1 O2 1.441(4) . ?
O1_1 C1_1 1.353(6) . ?
C1_1 C4_1 1.551(6) . ?
C1_1 C3_1 1.564(7) . ?
C1_1 C2_1 1.568(7) . ?
C2_1 F3_1 1.317(6) . ?
C2_1 F1_1 1.331(7) . ?
C2_1 F2_1 1.335(6) . ?
C3_1 F6_1 1.319(6) . ?
C3_1 F5_1 1.322(6) . ?
C3_1 F4_1 1.356(7) . ?
C4_1 F8_1 1.333(6) . ?
C4_1 F9_1 1.333(6) . ?
C4_1 F7_1 1.338(6) . ?
O1_2 C1_2 1.361(6) . ?
C1_2 C3_2 1.557(7) . ?
C1_2 C2_2 1.562(6) . ?
C1_2 C4_2 1.565(6) . ?
C2_2 F2_2 1.324(6) . ?
C2_2 F3_2 1.329(5) . ?
C2_2 F1_2 1.343(6) . ?
C3_2 F5_2 1.324(6) . ?
C3_2 F4_2 1.329(5) . ?
C3_2 F6_2 1.335(6) . ?
C4_2 F7_2 1.323(6) . ?
C4_2 F9_2 1.327(6) . ?
C4_2 F8_2 1.334(6) . ?
O1_3 C1_3 1.393(5) . ?
C1_3 C2_3 1.543(8) . ?
C1_3 C4_3 1.545(7) . ?
C1_3 C3_3 1.550(7) . ?
C2_3 F1_3 1.331(6) . ?
C2_3 F2_3 1.332(5) . ?
C2_3 F3_3 1.352(6) . ?
C3_3 F4_3 1.319(6) . ?
C3_3 F5_3 1.333(6) . ?
C3_3 F6_3 1.350(5) . ?
C4_3 F9_3 1.327(6) . ?
C4_3 F7_3 1.334(6) . ?
C4_3 F8_3 1.344(5) . ?
O1_4 C1_4 1.386(5) . ?
C1_4 C3_4 1.548(8) . ?
C1_4 C4_4 1.552(7) . ?
C1_4 C2_4 1.565(7) . ?
C2_4 F2_4 1.323(6) . ?
C2_4 F3_4 1.323(6) . ?
C2_4 F1_4 1.327(6) . ?
C3_4 F5_4 1.333(7) . ?
C3_4 F4_4 1.339(5) . ?
C3_4 F6_4 1.339(6) . ?
C4_4 F9_4 1.326(7) . ?
C4_4 F8_4 1.330(5) . ?
C4_4 F7_4 1.342(6) . ?

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
O2 Cu1 O1_4 146.71(14) . . ?
O2 Cu1 O1_3 138.69(14) . . ?
O1_4 Cu1 O1_3 74.32(12) . . ?
O2 Cu1 Al1 173.31(14) . . ?
O1_4 Cu1 Al1 38.13(9) . . ?
O1_3 Cu1 Al1 37.95(8) . . ?
O1_1 Al1 O1_2 112.05(18) . . ?
O1_1 Al1 O1_3 112.01(17) . . ?
O1_2 Al1 O1_3 116.67(15) . . ?
O1_1 Al1 O1_4 111.60(16) . . ?
O1_2 Al1 O1_4 112.29(17) . . ?
O1_3 Al1 O1_4 90.48(16) . . ?
O1_1 Al1 Cu1 110.11(13) . . ?
O1_2 Al1 Cu1 137.56(13) . . ?
O1_3 Al1 Cu1 48.06(11) . . ?
O1_4 Al1 Cu1 44.76(11) . . ?
O1 S1 O2 116.9(3) . . ?
S1 O2 Cu1 137.4(3) . . ?
C1_1 O1_1 Al1 156.8(3) . . ?
O1_1 C1_1 C4_1 110.0(4) . . ?
O1_1 C1_1 C3_1 110.8(4) . . ?
C4_1 C1_1 C3_1 109.1(4) . . ?
O1_1 C1_1 C2_1 107.7(4) . . ?
C4_1 C1_1 C2_1 109.7(4) . . ?
C3_1 C1_1 C2_1 109.5(4) . . ?
F3_1 C2_1 F1_1 108.7(5) . . ?
F3_1 C2_1 F2_1 108.8(4) . . ?
F1_1 C2_1 F2_1 107.5(5) . . ?
F3_1 C2_1 C1_1 110.5(5) . . ?
F1_1 C2_1 C1_1 110.1(4) . . ?
F2_1 C2_1 C1_1 111.2(5) . . ?
F6_1 C3_1 F5_1 108.8(4) . . ?
F6_1 C3_1 F4_1 107.7(5) . . ?
F5_1 C3_1 F4_1 106.5(4) . . ?
F6_1 C3_1 C1_1 113.0(4) . . ?
F5_1 C3_1 C1_1 111.2(4) . . ?
F4_1 C3_1 C1_1 109.4(4) . . ?
F8_1 C4_1 F9_1 107.6(4) . . ?
F8_1 C4_1 F7_1 107.5(4) . . ?
F9_1 C4_1 F7_1 107.8(4) . . ?
F8_1 C4_1 C1_1 113.3(4) . . ?
F9_1 C4_1 C1_1 110.6(4) . . ?
F7_1 C4_1 C1_1 109.8(4) . . ?
C1_2 O1_2 Al1 149.5(3) . . ?
O1_2 C1_2 C3_2 109.5(4) . . ?
O1_2 C1_2 C2_2 110.3(4) . . ?
C3_2 C1_2 C2_2 108.9(4) . . ?
O1_2 C1_2 C4_2 111.1(4) . . ?
C3_2 C1_2 C4_2 108.8(4) . . ?
C2_2 C1_2 C4_2 108.2(4) . . ?
F2_2 C2_2 F3_2 107.6(4) . . ?
F2_2 C2_2 F1_2 106.7(4) . . ?
F3_2 C2_2 F1_2 107.4(4) . . ?
F2_2 C2_2 C1_2 113.7(4) . . ?
F3_2 C2_2 C1_2 111.2(4) . . ?
F1_2 C2_2 C1_2 109.9(4) . . ?
F5_2 C3_2 F4_2 107.4(4) . . ?
F5_2 C3_2 F6_2 108.0(4) . . ?
F4_2 C3_2 F6_2 108.3(4) . . ?
F5_2 C3_2 C1_2 110.3(4) . . ?
F4_2 C3_2 C1_2 110.9(4) . . ?
F6_2 C3_2 C1_2 111.8(4) . . ?
F7_2 C4_2 F9_2 108.0(4) . . ?
F7_2 C4_2 F8_2 107.9(4) . . ?
F9_2 C4_2 F8_2 108.1(4) . . ?
F7_2 C4_2 C1_2 110.5(4) . . ?
F9_2 C4_2 C1_2 110.5(4) . . ?
F8_2 C4_2 C1_2 111.7(4) . . ?
C1_3 O1_3 Al1 142.3(3) . . ?
C1_3 O1_3 Cu1 119.5(3) . . ?
Al1 O1_3 Cu1 93.99(12) . . ?
O1_3 C1_3 C2_3 108.6(4) . . ?
O1_3 C1_3 C4_3 110.4(4) . . ?
C2_3 C1_3 C4_3 108.3(4) . . ?
O1_3 C1_3 C3_3 109.8(4) . . ?
C2_3 C1_3 C3_3 109.6(4) . . ?
C4_3 C1_3 C3_3 110.0(4) . . ?
F1_3 C2_3 F2_3 108.3(4) . . ?
F1_3 C2_3 F3_3 107.2(4) . . ?
F2_3 C2_3 F3_3 107.0(4) . . ?
F1_3 C2_3 C1_3 111.3(4) . . ?
F2_3 C2_3 C1_3 112.6(4) . . ?
F3_3 C2_3 C1_3 110.2(4) . . ?
F4_3 C3_3 F5_3 108.5(4) . . ?
F4_3 C3_3 F6_3 107.6(4) . . ?
F5_3 C3_3 F6_3 107.0(4) . . ?
F4_3 C3_3 C1_3 111.4(4) . . ?
F5_3 C3_3 C1_3 110.6(4) . . ?
F6_3 C3_3 C1_3 111.6(4) . . ?
F9_3 C4_3 F7_3 108.4(4) . . ?
F9_3 C4_3 F8_3 108.1(4) . . ?
F7_3 C4_3 F8_3 107.3(4) . . ?
F9_3 C4_3 C1_3 111.6(4) . . ?
F7_3 C4_3 C1_3 110.1(4) . . ?
F8_3 C4_3 C1_3 111.2(4) . . ?
C1_4 O1_4 Al1 138.9(3) . . ?
C1_4 O1_4 Cu1 123.6(3) . . ?
Al1 O1_4 Cu1 97.11(13) . . ?
O1_4 C1_4 C3_4 109.1(4) . . ?
O1_4 C1_4 C4_4 108.8(4) . . ?
C3_4 C1_4 C4_4 109.4(4) . . ?
O1_4 C1_4 C2_4 110.7(4) . . ?
C3_4 C1_4 C2_4 110.2(4) . . ?
C4_4 C1_4 C2_4 108.7(4) . . ?
F2_4 C2_4 F3_4 109.2(4) . . ?
F2_4 C2_4 F1_4 108.5(3) . . ?
F3_4 C2_4 F1_4 107.5(4) . . ?
F2_4 C2_4 C1_4 111.0(4) . . ?
F3_4 C2_4 C1_4 109.7(3) . . ?
F1_4 C2_4 C1_4 110.9(4) . . ?
F5_4 C3_4 F4_4 107.3(4) . . ?
F5_4 C3_4 F6_4 107.7(4) . . ?
F4_4 C3_4 F6_4 107.2(4) . . ?
F5_4 C3_4 C1_4 111.2(4) . . ?
F4_4 C3_4 C1_4 110.6(4) . . ?
F6_4 C3_4 C1_4 112.6(4) . . ?
F9_4 C4_4 F8_4 108.5(5) . . ?
F9_4 C4_4 F7_4 106.9(4) . . ?
F8_4 C4_4 F7_4 108.2(4) . . ?
F9_4 C4_4 C1_4 111.5(5) . . ?
F8_4 C4_4 C1_4 111.0(4) . . ?
F7_4 C4_4 C1_4 110.5(4) . . ?

_refine_diff_density_max         0.852
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.129

####################################################################### 
# 
# 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_Cu2(SO2)[PF]2_a
_database_code_depnum_ccdc_archive 'CCDC 1960201'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT088_Cu2SO2PF2_a         
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.37 Note  
RESPONSE: The low ratio is caused by highly disordered OC(CF3)3 groups.
However, there are many restraints on their geometry what makes the 
refined structure reliable
;
_vrf_PLAT241_Cu2SO2PF2_a         
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of      F3_16 Check 
RESPONSE: That is caused by high libration of OC(CF3)3, what is rather typical
;
_vrf_PLAT922_Cu2SO2PF2_a         
;
PROBLEM: wR2 in the CIF and FCF Differ by ...............     0.0067 Check 
RESPONSE: The difference is probably the result of rounding of numbers in
Checkcif, as the problem is not reported by Platon.
;
# end Validation Reply Form 

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 Al4 Cu4 F144 O20 S2'
_chemical_formula_weight         4250.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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        'I 2/a'
_space_group_name_Hall           '-I 2ya'

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

_cell_length_a                   18.5302(5)
_cell_length_b                   19.5531(6)
_cell_length_c                   33.2117(9)
_cell_angle_alpha                90
_cell_angle_beta                 90.005(3)
_cell_angle_gamma                90
_cell_volume                     12033.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    17074
_cell_measurement_theta_min      2.5770
_cell_measurement_theta_max      66.9770

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_F_000             8160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    4.130
_shelx_estimated_absorpt_T_min   0.381
_shelx_estimated_absorpt_T_max   0.708
_exptl_absorpt_correction_T_min  0.33593
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64737
_diffrn_reflns_av_unetI/netI     0.0676
_diffrn_reflns_av_R_equivalents  0.1463
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.622
_diffrn_reflns_theta_max         67.555
_diffrn_reflns_theta_full        67.555
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10838
_reflns_number_gt                9708
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.1062P)²+36.9571P] 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         10838
_refine_ls_number_parameters     2019
_refine_ls_number_restraints     37355
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0657
_refine_ls_wR_factor_ref         0.1836
_refine_ls_wR_factor_gt          0.1732
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      0.960
_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_16 O 0.7299(2) 0.7548(2) 0.54310(12) 0.0350(9) Uani 1 1 d D U . . .
C1_16 C 0.7524(4) 0.8005(3) 0.57164(18) 0.0408(12) Uani 1 1 d D U . . .
C2_16 C 0.7040(7) 0.8648(5) 0.5702(3) 0.091(3) Uani 1 1 d D U . . .
F1_16 F 0.7231(7) 0.9010(3) 0.5377(2) 0.145(4) Uani 1 1 d D U . . .
F2_16 F 0.7105(6) 0.9027(3) 0.60277(18) 0.123(3) Uani 1 1 d D U . . .
F3_16 F 0.6368(4) 0.8486(4) 0.56459(18) 0.116(2) Uani 1 1 d D U . . .
C3_16 C 0.7448(4) 0.7674(3) 0.61375(18) 0.0428(13) Uani 1 1 d D U . . .
F4_16 F 0.7684(4) 0.7040(2) 0.61394(13) 0.0754(16) Uani 1 1 d D U . . .
F5_16 F 0.6749(2) 0.7644(3) 0.62489(14) 0.0633(12) Uani 1 1 d D U . . .
F6_16 F 0.7763(3) 0.8020(3) 0.64242(13) 0.0660(13) Uani 1 1 d D U . . .
C4_16 C 0.8322(5) 0.8198(5) 0.5648(2) 0.080(2) Uani 1 1 d D U . . .
F7_16 F 0.8760(3) 0.7719(4) 0.58144(18) 0.105(2) Uani 1 1 d D U . . .
F8_16 F 0.8498(5) 0.8792(4) 0.58207(19) 0.119(3) Uani 1 1 d D U . . .
F9_16 F 0.8483(4) 0.8213(4) 0.52641(17) 0.106(2) Uani 1 1 d D U . . .
O1_15 O 0.6889(11) 0.6473(11) 0.4941(7) 0.0356(13) Uani 0.201(3) 1 d D U P A 3
C1_15 C 0.6256(12) 0.6124(11) 0.4935(6) 0.0349(12) Uani 0.201(3) 1 d D U P A 3
C2_15 C 0.6100(10) 0.5769(11) 0.4528(6) 0.034(4) Uani 0.201(3) 1 d D U P A 3
F1_15 F 0.6221(12) 0.6150(14) 0.4192(8) 0.036(5) Uani 0.201(3) 1 d D U P A 3
F2_15 F 0.5423(8) 0.5551(10) 0.4511(6) 0.042(4) Uani 0.201(3) 1 d D U P A 3
F3_15 F 0.6546(12) 0.5236(10) 0.4455(7) 0.039(5) Uani 0.201(3) 1 d D U P A 3
C3_15 C 0.6303(14) 0.5606(12) 0.5289(7) 0.041(4) Uani 0.201(3) 1 d D U P A 3
F4_15 F 0.6439(15) 0.6029(13) 0.5595(8) 0.045(5) Uani 0.201(3) 1 d D U P A 3
F5_15 F 0.6837(16) 0.5187(16) 0.5234(13) 0.050(3) Uani 0.201(3) 1 d D U P A 3
F6_15 F 0.5669(13) 0.5323(16) 0.5358(7) 0.056(6) Uani 0.201(3) 1 d D U P A 3
C4_15 C 0.5630(11) 0.6618(10) 0.5038(6) 0.037(4) Uani 0.201(3) 1 d D U P A 3
F7_15 F 0.5829(10) 0.7056(9) 0.5325(5) 0.042(4) Uani 0.201(3) 1 d D U P A 3
F8_15 F 0.506(2) 0.6280(18) 0.5201(10) 0.047(6) Uani 0.201(3) 1 d D U P A 3
F9_15 F 0.538(3) 0.7004(18) 0.4732(9) 0.034(6) Uani 0.201(3) 1 d D U P A 3
O1_8 O 0.8128(4) 0.3552(4) -0.0058(3) 0.0304(19) Uani 0.462(6) 1 d D U P B 2
C1_8 C 0.8747(7) 0.3878(7) 0.0066(4) 0.031(2) Uani 0.462(6) 1 d D U P B 2
C2_8 C 0.8830(7) 0.4537(6) -0.0191(4) 0.043(3) Uani 0.462(6) 1 d D U P B 2
F1_8 F 0.8554(4) 0.4435(5) -0.0560(3) 0.050(2) Uani 0.462(6) 1 d D U P B 2
F2_8 F 0.9505(5) 0.4732(5) -0.0236(4) 0.064(3) Uani 0.462(6) 1 d D U P B 2
F3_8 F 0.8470(5) 0.5055(5) -0.0030(4) 0.062(2) Uani 0.462(6) 1 d D U P B 2
C3_8 C 0.8678(8) 0.4060(8) 0.0517(4) 0.052(3) Uani 0.462(6) 1 d D U P B 2
F4_8 F 0.8794(5) 0.3499(6) 0.0752(3) 0.061(3) Uani 0.462(6) 1 d D U P B 2
F5_8 F 0.8035(8) 0.4298(13) 0.0602(8) 0.055(5) Uani 0.462(6) 1 d D U P B 2
F6_8 F 0.9210(5) 0.4504(6) 0.0623(3) 0.062(3) Uani 0.462(6) 1 d D U P B 2
C4_8 C 0.9419(7) 0.3418(7) 0.0000(4) 0.042(3) Uani 0.462(6) 1 d D U P B 2
F7_8 F 0.9295(5) 0.2792(4) 0.0158(3) 0.053(2) Uani 0.462(6) 1 d D U P B 2
F8_8 F 0.9997(5) 0.3676(5) 0.0193(3) 0.055(2) Uani 0.462(6) 1 d D U P B 2
F9_8 F 0.9548(13) 0.3324(10) -0.0382(4) 0.045(4) Uani 0.462(6) 1 d D U P B 2
O1_14 O 0.754(2) 0.2484(19) 0.0391(11) 0.0514(17) Uani 0.244(9) 1 d D U P B 2
C1_14 C 0.7326(11) 0.2030(12) 0.0673(7) 0.0557(17) Uani 0.244(9) 1 d D U P B 2
C2_14 C 0.7373(12) 0.2333(11) 0.1106(7) 0.068(4) Uani 0.244(9) 1 d D U P B 2
F1_14 F 0.8038(11) 0.2296(13) 0.1233(9) 0.077(6) Uani 0.244(9) 1 d D U P B 2
F2_14 F 0.6920(13) 0.1934(12) 0.1326(8) 0.070(6) Uani 0.244(9) 1 d D U P B 2
F3_14 F 0.7050(14) 0.2939(11) 0.1113(7) 0.057(5) Uani 0.244(9) 1 d D U P B 2
C3_14 C 0.6514(10) 0.1871(12) 0.0626(6) 0.054(4) Uani 0.244(9) 1 d D U P B 2
F4_14 F 0.6367(19) 0.1709(13) 0.0250(6) 0.065(6) Uani 0.244(9) 1 d D U P B 2
F5_14 F 0.6144(11) 0.2455(9) 0.0752(7) 0.066(5) Uani 0.244(9) 1 d D U P B 2
F6_14 F 0.6109(12) 0.1544(10) 0.0889(6) 0.056(5) Uani 0.244(9) 1 d D U P B 2
C4_14 C 0.7780(12) 0.1369(11) 0.0675(7) 0.070(5) Uani 0.244(9) 1 d D U P B 2
F7_14 F 0.7576(15) 0.0903(13) 0.0395(8) 0.096(6) Uani 0.244(9) 1 d D U P B 2
F8_14 F 0.7787(11) 0.1032(11) 0.1011(6) 0.057(5) Uani 0.244(9) 1 d D U P B 2
F9_14 F 0.8445(10) 0.1537(10) 0.0550(6) 0.067(5) Uani 0.244(9) 1 d D U P B 2
O1_13 O 0.7592(7) 0.2452(6) 0.0452(4) 0.0514(17) Uani 0.756(9) 1 d D U P B 1
C1_13 C 0.7231(5) 0.2058(5) 0.0735(3) 0.0557(17) Uani 0.756(9) 1 d D U P B 1
C2_13 C 0.7786(6) 0.1621(6) 0.0968(4) 0.087(3) Uani 0.756(9) 1 d D U P B 1
F1_13 F 0.8245(6) 0.1323(5) 0.0731(4) 0.110(3) Uani 0.756(9) 1 d D U P B 1
F2_13 F 0.7453(6) 0.1128(4) 0.1184(4) 0.110(3) Uani 0.756(9) 1 d D U P B 1
F3_13 F 0.8215(5) 0.1996(5) 0.1200(4) 0.106(4) Uani 0.756(9) 1 d D U P B 1
C3_13 C 0.6881(6) 0.2545(6) 0.1047(3) 0.070(3) Uani 0.756(9) 1 d D U P B 1
F4_13 F 0.6292(5) 0.2834(7) 0.0914(3) 0.104(3) Uani 0.756(9) 1 d D U P B 1
F5_13 F 0.7342(5) 0.3069(5) 0.1125(3) 0.075(3) Uani 0.756(9) 1 d D U P B 1
F6_13 F 0.6723(5) 0.2264(6) 0.1402(3) 0.102(3) Uani 0.756(9) 1 d D U P B 1
C4_13 C 0.6689(6) 0.1590(5) 0.0527(4) 0.084(3) Uani 0.756(9) 1 d D U P B 1
F7_13 F 0.6316(7) 0.1958(5) 0.0250(3) 0.086(3) Uani 0.756(9) 1 d D U P B 1
F8_13 F 0.6303(7) 0.1243(7) 0.0760(4) 0.128(4) Uani 0.756(9) 1 d D U P B 1
F9_13 F 0.7002(6) 0.1080(4) 0.0331(4) 0.126(3) Uani 0.756(9) 1 d D U P B 1
O1_12 O 0.5754(14) 0.5841(13) 0.2590(11) 0.039(2) Uani 0.320(8) 1 d D U P C 2
C1_12 C 0.6248(11) 0.6344(9) 0.2624(5) 0.0375(13) Uani 0.320(8) 1 d D U P C 2
C2_12 C 0.6754(9) 0.6369(10) 0.2252(5) 0.054(3) Uani 0.320(8) 1 d D U P C 2
F1_12 F 0.7239(11) 0.5858(10) 0.2248(5) 0.063(4) Uani 0.320(8) 1 d D U P C 2
F2_12 F 0.7074(11) 0.6976(9) 0.2219(4) 0.069(4) Uani 0.320(8) 1 d D U P C 2
F3_12 F 0.6344(9) 0.6303(10) 0.1922(4) 0.060(4) Uani 0.320(8) 1 d D U P C 2
C3_12 C 0.5850(10) 0.7036(9) 0.2680(6) 0.057(4) Uani 0.320(8) 1 d D U P C 2
F4_12 F 0.5291(7) 0.6965(7) 0.2933(4) 0.061(4) Uani 0.320(8) 1 d D U P C 2
F5_12 F 0.5549(9) 0.7224(8) 0.2327(5) 0.066(4) Uani 0.320(8) 1 d D U P C 2
F6_12 F 0.6267(10) 0.7549(9) 0.2815(6) 0.082(5) Uani 0.320(8) 1 d D U P C 2
C4_12 C 0.6717(13) 0.6214(12) 0.3003(6) 0.042(4) Uani 0.320(8) 1 d D U P C 2
F7_12 F 0.6318(13) 0.6295(9) 0.3332(6) 0.053(4) Uani 0.320(8) 1 d D U P C 2
F8_12 F 0.7273(14) 0.6634(13) 0.3037(8) 0.052(5) Uani 0.320(8) 1 d D U P C 2
F9_12 F 0.6957(13) 0.5578(10) 0.2994(7) 0.047(4) Uani 0.320(8) 1 d D U P C 2
O1_11 O 0.5661(6) 0.5966(5) 0.2619(5) 0.039(2) Uani 0.680(8) 1 d D U P C 1
C1_11 C 0.6291(6) 0.6276(5) 0.2567(3) 0.0375(13) Uani 0.680(8) 1 d D U P C 1
C2_11 C 0.6683(7) 0.6341(7) 0.2978(4) 0.052(3) Uani 0.680(8) 1 d D U P C 1
F1_11 F 0.6226(6) 0.6545(6) 0.3266(3) 0.068(3) Uani 0.680(8) 1 d D U P C 1
F2_11 F 0.7233(7) 0.6784(7) 0.2955(4) 0.059(3) Uani 0.680(8) 1 d D U P C 1
F3_11 F 0.6968(7) 0.5750(6) 0.3092(4) 0.064(3) Uani 0.680(8) 1 d D U P C 1
C3_11 C 0.6790(6) 0.5888(5) 0.2271(3) 0.047(2) Uani 0.680(8) 1 d D U P C 1
F4_11 F 0.6550(5) 0.5977(5) 0.1887(2) 0.065(2) Uani 0.680(8) 1 d D U P C 1
F5_11 F 0.6775(3) 0.5221(3) 0.2340(2) 0.0619(19) Uani 0.680(8) 1 d D U P C 1
F6_11 F 0.7474(4) 0.6098(4) 0.2284(3) 0.061(2) Uani 0.680(8) 1 d D U P C 1
C4_11 C 0.6180(5) 0.7007(4) 0.2396(3) 0.049(2) Uani 0.680(8) 1 d D U P C 1
F7_11 F 0.5670(4) 0.6996(4) 0.2104(3) 0.062(2) Uani 0.680(8) 1 d D U P C 1
F8_11 F 0.6759(4) 0.7302(4) 0.2246(3) 0.068(2) Uani 0.680(8) 1 d D U P C 1
F9_11 F 0.5913(4) 0.7421(4) 0.2684(3) 0.071(2) Uani 0.680(8) 1 d D U P C 1
O1_10 O 0.474(2) 0.493(2) 0.2848(8) 0.0383(16) Uani 0.303(8) 1 d D U P C 2
C1_10 C 0.4758(10) 0.4660(10) 0.3227(7) 0.0394(12) Uani 0.303(8) 1 d D U P C 2
C2_10 C 0.4916(11) 0.5235(9) 0.3539(5) 0.050(4) Uani 0.303(8) 1 d D U P C 2
F1_10 F 0.5623(8) 0.5371(10) 0.3542(4) 0.063(4) Uani 0.303(8) 1 d D U P C 2
F2_10 F 0.473(2) 0.511(2) 0.3918(7) 0.064(7) Uani 0.303(8) 1 d D U P C 2
F3_10 F 0.4549(15) 0.5797(14) 0.3433(11) 0.059(6) Uani 0.303(8) 1 d D U P C 2
C3_10 C 0.4025(10) 0.4320(10) 0.3324(6) 0.052(4) Uani 0.303(8) 1 d D U P C 2
F4_10 F 0.3779(15) 0.3931(13) 0.3019(7) 0.062(6) Uani 0.303(8) 1 d D U P C 2
F5_10 F 0.3539(8) 0.4786(8) 0.3425(5) 0.058(4) Uani 0.303(8) 1 d D U P C 2
F6_10 F 0.412(2) 0.3910(16) 0.3647(8) 0.056(6) Uani 0.303(8) 1 d D U P C 2
C4_10 C 0.5362(10) 0.4118(9) 0.3251(6) 0.050(4) Uani 0.303(8) 1 d D U P C 2
F7_10 F 0.5131(10) 0.3501(6) 0.3108(4) 0.058(4) Uani 0.303(8) 1 d D U P C 2
F8_10 F 0.560(2) 0.4027(18) 0.3624(6) 0.066(7) Uani 0.303(8) 1 d D U P C 2
F9_10 F 0.5937(12) 0.4304(11) 0.3032(7) 0.056(5) Uani 0.303(8) 1 d D U P C 2
O1_9 O 0.4689(10) 0.4862(9) 0.2846(3) 0.0383(16) Uani 0.697(8) 1 d D U P C 1
C1_9 C 0.4724(6) 0.4603(5) 0.3227(3) 0.0394(12) Uani 0.697(8) 1 d D U P C 1
C2_9 C 0.4210(5) 0.3983(5) 0.3244(3) 0.046(2) Uani 0.697(8) 1 d D U P C 1
F1_9 F 0.3604(6) 0.4111(6) 0.3048(3) 0.056(2) Uani 0.697(8) 1 d D U P C 1
F2_9 F 0.4023(10) 0.3798(7) 0.3617(3) 0.054(3) Uani 0.697(8) 1 d D U P C 1
F3_9 F 0.4529(4) 0.3429(3) 0.3078(2) 0.0613(18) Uani 0.697(8) 1 d D U P C 1
C3_9 C 0.5495(5) 0.4373(5) 0.3334(3) 0.053(2) Uani 0.697(8) 1 d D U P C 1
F4_9 F 0.5909(4) 0.4915(4) 0.3440(2) 0.067(2) Uani 0.697(8) 1 d D U P C 1
F5_9 F 0.5813(6) 0.4074(6) 0.3018(4) 0.066(3) Uani 0.697(8) 1 d D U P C 1
F6_9 F 0.5481(9) 0.3922(7) 0.3645(4) 0.066(3) Uani 0.697(8) 1 d D U P C 1
C4_9 C 0.4465(6) 0.5140(5) 0.3544(3) 0.048(2) Uani 0.697(8) 1 d D U P C 1
F7_9 F 0.4748(6) 0.5754(6) 0.3453(5) 0.057(2) Uani 0.697(8) 1 d D U P C 1
F8_9 F 0.4684(9) 0.4959(9) 0.3909(3) 0.063(3) Uani 0.697(8) 1 d D U P C 1
F9_9 F 0.3753(4) 0.5193(4) 0.3547(2) 0.0620(18) Uani 0.697(8) 1 d D U P C 1
O1_6 O 0.4359(10) 0.6088(12) 0.2326(9) 0.0325(18) Uani 0.316(7) 1 d D U P C 2
C1_6 C 0.3654(11) 0.6292(9) 0.2305(5) 0.0368(12) Uani 0.316(7) 1 d D U P C 2
C2_6 C 0.3267(10) 0.5904(9) 0.1960(5) 0.049(3) Uani 0.316(7) 1 d D U P C 2
F1_6 F 0.3518(11) 0.6099(10) 0.1606(5) 0.056(4) Uani 0.316(7) 1 d D U P C 2
F2_6 F 0.2553(7) 0.6006(8) 0.1960(5) 0.058(4) Uani 0.316(7) 1 d D U P C 2
F3_6 F 0.3372(6) 0.5222(6) 0.2000(4) 0.046(3) Uani 0.316(7) 1 d D U P C 2
C3_6 C 0.3269(12) 0.6165(12) 0.2708(6) 0.050(4) Uani 0.316(7) 1 d D U P C 2
F4_6 F 0.3706(9) 0.6331(10) 0.3006(5) 0.048(4) Uani 0.316(7) 1 d D U P C 2
F5_6 F 0.3076(13) 0.5508(10) 0.2755(7) 0.063(5) Uani 0.316(7) 1 d D U P C 2
F6_6 F 0.2660(11) 0.6513(11) 0.2747(7) 0.068(5) Uani 0.316(7) 1 d D U P C 2
C4_6 C 0.3633(9) 0.7070(8) 0.2214(5) 0.053(3) Uani 0.316(7) 1 d D U P C 2
F7_6 F 0.3822(11) 0.7435(8) 0.2533(4) 0.062(4) Uani 0.316(7) 1 d D U P C 2
F8_6 F 0.2985(7) 0.7291(7) 0.2093(4) 0.057(3) Uani 0.316(7) 1 d D U P C 2
F9_6 F 0.4089(9) 0.7224(8) 0.1918(5) 0.055(4) Uani 0.316(7) 1 d D U P C 2
O1_4 O 0.6791(6) 0.6559(6) 0.4847(4) 0.0356(13) Uani 0.396(3) 1 d D U P A 2
C1_4 C 0.6226(8) 0.6117(7) 0.4851(4) 0.0349(12) Uani 0.396(3) 1 d D U P A 2
C2_4 C 0.5546(7) 0.6461(8) 0.4668(5) 0.050(3) Uani 0.396(3) 1 d D U P A 2
F1_4 F 0.5374(9) 0.7029(8) 0.4887(5) 0.069(4) Uani 0.396(3) 1 d D U P A 2
F2_4 F 0.4937(9) 0.6082(9) 0.4725(6) 0.066(4) Uani 0.396(3) 1 d D U P A 2
F3_4 F 0.5638(9) 0.6608(10) 0.4295(4) 0.096(5) Uani 0.396(3) 1 d D U P A 2
C3_4 C 0.6415(10) 0.5473(8) 0.4596(5) 0.068(4) Uani 0.396(3) 1 d D U P A 2
F4_4 F 0.6978(7) 0.5156(6) 0.4763(4) 0.074(4) Uani 0.396(3) 1 d D U P A 2
F5_4 F 0.6683(12) 0.5710(12) 0.4266(6) 0.124(6) Uani 0.396(3) 1 d D U P A 2
F6_4 F 0.5842(9) 0.5107(8) 0.4529(6) 0.093(4) Uani 0.396(3) 1 d D U P A 2
C4_4 C 0.6031(9) 0.5810(10) 0.5260(5) 0.068(4) Uani 0.396(3) 1 d D U P A 2
F7_4 F 0.6596(8) 0.5619(11) 0.5488(5) 0.088(4) Uani 0.396(3) 1 d D U P A 2
F8_4 F 0.5683(15) 0.5204(12) 0.5173(10) 0.091(7) Uani 0.396(3) 1 d D U P A 2
F9_4 F 0.5592(10) 0.6148(12) 0.5482(5) 0.118(5) Uani 0.396(3) 1 d D U P A 2
O1_2 O 0.5060(17) 0.5102(12) 0.1989(9) 0.041(6) Uani 0.331(7) 1 d D U P C 2
C1_2 C 0.5243(9) 0.4526(10) 0.1785(6) 0.048(4) Uani 0.331(7) 1 d D U P C 2
C2_2 C 0.5040(11) 0.4627(10) 0.1337(5) 0.060(4) Uani 0.331(7) 1 d D U P C 2
F1_2 F 0.4350(9) 0.4607(9) 0.1298(5) 0.065(4) Uani 0.331(7) 1 d D U P C 2
F2_2 F 0.535(2) 0.4159(16) 0.1097(12) 0.077(8) Uani 0.331(7) 1 d D U P C 2
F3_2 F 0.5296(17) 0.5238(12) 0.1237(12) 0.056(6) Uani 0.331(7) 1 d D U P C 2
C3_2 C 0.6070(8) 0.4389(8) 0.1819(5) 0.057(4) Uani 0.331(7) 1 d D U P C 2
F4_2 F 0.6276(8) 0.4482(8) 0.2202(4) 0.063(4) Uani 0.331(7) 1 d D U P C 2
F5_2 F 0.6448(8) 0.4823(7) 0.1595(5) 0.067(4) Uani 0.331(7) 1 d D U P C 2
F6_2 F 0.6261(8) 0.3753(6) 0.1718(5) 0.070(4) Uani 0.331(7) 1 d D U P C 2
C4_2 C 0.4846(9) 0.3894(8) 0.1958(5) 0.051(4) Uani 0.331(7) 1 d D U P C 2
F7_2 F 0.5170(13) 0.3646(18) 0.2295(7) 0.053(5) Uani 0.331(7) 1 d D U P C 2
F8_2 F 0.4825(10) 0.3375(7) 0.1695(4) 0.071(4) Uani 0.331(7) 1 d D U P C 2
F9_2 F 0.4171(7) 0.4054(8) 0.2065(5) 0.061(4) Uani 0.331(7) 1 d D U P C 2
Cu3 Cu 0.49208(6) 0.60204(5) 0.17188(3) 0.0484(3) Uani 1 1 d . . . . .
Al1 Al 0.49646(8) 0.54379(8) 0.24853(4) 0.0261(3) Uani 1 1 d . . . . .
Al2 Al 0.7500 0.29501(11) 0.0000 0.0372(5) Uani 1 2 d S T P . .
Al3 Al 0.7500 0.70690(10) 0.5000 0.0261(4) Uani 1 2 d S T P A .
S1 S 1.00418(16) 0.25950(11) 0.11715(5) 0.0664(6) Uani 1 1 d . . . . .
O2 O 0.9573(5) 0.2361(4) 0.0917(3) 0.042(2) Uani 0.5 1 d . . P B 1
O1 O 1.0317(6) 0.2345(5) 0.0847(3) 0.050(2) Uani 0.5 1 d . . P B 2
O3 O 1.0142(3) 0.3262(3) 0.13180(18) 0.0651(15) Uani 1 1 d . . . . .
Cu1 Cu 0.87187(10) 0.26143(9) 0.05974(6) 0.0384(4) Uani 0.5 1 d . . P B 1
Cu2 Cu 0.61766(10) 0.72921(10) 0.55008(6) 0.0396(4) Uani 0.5 1 d . . P A 2
O1_1 O 0.5201(7) 0.5052(6) 0.2017(4) 0.030(2) Uani 0.669(7) 1 d D U P C 1
C1_1 C 0.5126(5) 0.4464(5) 0.1800(3) 0.0340(19) Uani 0.669(7) 1 d D U P C 1
F1_1 F 0.3926(4) 0.4413(4) 0.20613(19) 0.0525(16) Uani 0.669(7) 1 d D U P C 1
C2_1 C 0.4315(5) 0.4321(5) 0.1727(3) 0.049(2) Uani 0.669(7) 1 d D U P C 1
F2_1 F 0.4052(4) 0.4765(4) 0.1455(2) 0.0595(18) Uani 0.669(7) 1 d D U P C 1
C3_1 C 0.5510(6) 0.4538(5) 0.1391(3) 0.048(2) Uani 0.669(7) 1 d D U P C 1
F3_1 F 0.4174(4) 0.3694(3) 0.1594(2) 0.064(2) Uani 0.669(7) 1 d D U P C 1
C4_1 C 0.5447(6) 0.3838(5) 0.2030(3) 0.046(2) Uani 0.669(7) 1 d D U P C 1
F4_1 F 0.5399(9) 0.5141(6) 0.1213(6) 0.058(3) Uani 0.669(7) 1 d D U P C 1
F5_1 F 0.5302(8) 0.4044(7) 0.1132(4) 0.058(3) Uani 0.669(7) 1 d D U P C 1
F6_1 F 0.6228(4) 0.4484(4) 0.1437(2) 0.0602(17) Uani 0.669(7) 1 d D U P C 1
F7_1 F 0.5569(4) 0.3314(3) 0.1782(2) 0.0622(19) Uani 0.669(7) 1 d D U P C 1
F8_1 F 0.6068(4) 0.4017(4) 0.2200(2) 0.0529(16) Uani 0.669(7) 1 d D U P C 1
F9_1 F 0.4991(7) 0.3630(9) 0.2323(3) 0.056(3) Uani 0.669(7) 1 d D U P C 1
O1_3 O 0.6598(6) 0.6723(5) 0.5021(4) 0.0356(13) Uani 0.402(3) 1 d D U P A 1
C1_3 C 0.6197(8) 0.6171(7) 0.4907(4) 0.0349(12) Uani 0.402(3) 1 d D U P A 1
F1_3 F 0.6937(7) 0.5302(7) 0.5178(6) 0.050(3) Uani 0.402(3) 1 d D U P A 1
C2_3 C 0.6298(9) 0.5592(7) 0.5217(5) 0.042(3) Uani 0.402(3) 1 d D U P A 1
F2_3 F 0.6240(8) 0.5859(7) 0.5592(4) 0.048(3) Uani 0.402(3) 1 d D U P A 1
C3_3 C 0.5389(7) 0.6371(8) 0.4848(5) 0.050(3) Uani 0.402(3) 1 d D U P A 1
F3_3 F 0.5793(9) 0.5085(6) 0.5188(7) 0.047(4) Uani 0.402(3) 1 d D U P A 1
C4_3 C 0.6455(8) 0.5928(7) 0.4486(4) 0.051(3) Uani 0.402(3) 1 d D U P A 1
F4_3 F 0.5045(10) 0.5908(9) 0.4622(6) 0.063(5) Uani 0.402(3) 1 d D U P A 1
F5_3 F 0.5336(14) 0.6975(10) 0.4659(6) 0.053(4) Uani 0.402(3) 1 d D U P A 1
F6_3 F 0.5072(12) 0.6444(11) 0.5214(6) 0.063(5) Uani 0.402(3) 1 d D U P A 1
F7_3 F 0.7131(5) 0.6050(5) 0.4401(3) 0.051(2) Uani 0.402(3) 1 d D U P A 1
F8_3 F 0.6250(8) 0.5293(6) 0.4394(4) 0.048(3) Uani 0.402(3) 1 d D U P A 1
F9_3 F 0.6089(10) 0.6298(8) 0.4194(5) 0.058(4) Uani 0.402(3) 1 d D U P A 1
O1_5 O 0.4266(5) 0.5939(4) 0.2270(3) 0.0325(18) Uani 0.684(7) 1 d D U P C 1
C1_5 C 0.3651(6) 0.6309(5) 0.2344(3) 0.0368(12) Uani 0.684(7) 1 d D U P C 1
F1_5 F 0.3627(5) 0.6445(7) 0.1624(3) 0.086(3) Uani 0.684(7) 1 d D U P C 1
C2_5 C 0.3219(5) 0.6332(7) 0.1946(3) 0.060(2) Uani 0.684(7) 1 d D U P C 1
F2_5 F 0.2890(5) 0.5728(5) 0.1889(2) 0.076(2) Uani 0.684(7) 1 d D U P C 1
C3_5 C 0.3178(6) 0.6007(7) 0.2680(4) 0.051(2) Uani 0.684(7) 1 d D U P C 1
F3_5 F 0.2707(4) 0.6808(5) 0.1952(2) 0.081(3) Uani 0.684(7) 1 d D U P C 1
C4_5 C 0.3861(6) 0.7053(5) 0.2453(4) 0.063(3) Uani 0.684(7) 1 d D U P C 1
F4_5 F 0.3172(5) 0.5335(4) 0.2650(3) 0.059(2) Uani 0.684(7) 1 d D U P C 1
F5_5 F 0.2516(5) 0.6243(5) 0.2665(3) 0.064(2) Uani 0.684(7) 1 d D U P C 1
F6_5 F 0.3444(6) 0.6150(7) 0.3039(3) 0.071(3) Uani 0.684(7) 1 d D U P C 1
F7_5 F 0.3331(5) 0.7420(4) 0.2605(3) 0.084(3) Uani 0.684(7) 1 d D U P C 1
F8_5 F 0.4385(4) 0.7044(4) 0.2733(3) 0.078(2) Uani 0.684(7) 1 d D U P C 1
F9_5 F 0.4128(5) 0.7379(5) 0.2127(4) 0.087(3) Uani 0.684(7) 1 d D U P C 1
O1_7 O 0.8396(4) 0.3330(4) 0.0137(2) 0.0356(13) Uani 0.538(6) 1 d D U P B 1
C1_7 C 0.8814(7) 0.3897(6) 0.0095(4) 0.0349(12) Uani 0.538(6) 1 d D U P B 1
F1_7 F 0.9195(4) 0.3975(4) 0.0786(2) 0.0475(18) Uani 0.538(6) 1 d D U P B 1
C2_7 C 0.8802(7) 0.4288(5) 0.0504(3) 0.039(2) Uani 0.538(6) 1 d D U P B 1
F2_7 F 0.9073(5) 0.4920(4) 0.0461(3) 0.0530(19) Uani 0.538(6) 1 d D U P B 1
C3_7 C 0.9601(6) 0.3673(6) 0.0001(4) 0.041(2) Uani 0.538(6) 1 d D U P B 1
F3_7 F 0.8152(7) 0.4369(9) 0.0662(6) 0.044(3) Uani 0.538(6) 1 d D U P B 1
C4_7 C 0.8540(6) 0.4367(5) -0.0247(3) 0.036(2) Uani 0.538(6) 1 d D U P B 1
F5_7 F 0.9818(4) 0.3160(4) 0.0233(2) 0.0475(18) Uani 0.538(6) 1 d D U P B 1
F6_7 F 0.9672(11) 0.3496(9) -0.0379(3) 0.042(3) Uani 0.538(6) 1 d D U P B 1
F7_7 F 0.9041(5) 0.4792(4) -0.0372(3) 0.053(2) Uani 0.538(6) 1 d D U P B 1
F8_7 F 0.8335(4) 0.3978(4) -0.0553(2) 0.0442(17) Uani 0.538(6) 1 d D U P B 1
F9_7 F 0.7972(4) 0.4728(3) -0.0114(2) 0.0467(18) Uani 0.538(6) 1 d D U P B 1
F4_7 F 1.0082(4) 0.4189(4) 0.0052(3) 0.059(2) Uani 0.538(6) 1 d D . P B 1


_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 1.367(7) . ?
O1_16 Al3 1.751(4) . ?
O1_16 Cu2 2.151(5) . ?
C1_16 C4_16 1.544(9) . ?
C1_16 C2_16 1.544(9) . ?
C1_16 C3_16 1.547(8) . ?
C2_16 F3_16 1.298(13) . ?
C2_16 F2_16 1.317(11) . ?
C2_16 F1_16 1.339(10) . ?
F3_16 Cu2 2.410(9) . ?
C3_16 F6_16 1.305(7) . ?
C3_16 F4_16 1.315(8) . ?
C3_16 F5_16 1.348(8) . ?
C4_16 F9_16 1.309(10) . ?
C4_16 F8_16 1.336(9) . ?
C4_16 F7_16 1.357(12) . ?
O1_15 C1_15 1.358(18) . ?
O1_15 Al3 1.636(18) . ?
C1_15 C2_15 1.547(14) . ?
C1_15 C4_15 1.548(14) . ?
C1_15 C3_15 1.554(14) . ?
C2_15 F2_15 1.326(18) . ?
C2_15 F3_15 1.351(19) . ?
C2_15 F1_15 1.361(19) . ?
C3_15 F5_15 1.30(2) . ?
C3_15 F6_15 1.320(19) . ?
C3_15 F4_15 1.33(2) . ?
C4_15 F7_15 1.333(18) . ?
C4_15 F9_15 1.35(2) . ?
C4_15 F8_15 1.35(2) . ?
O1_8 C1_8 1.374(14) . ?
O1_8 Al2 1.667(8) . ?
C1_8 C3_8 1.546(12) . ?
C1_8 C4_8 1.552(12) . ?
C1_8 C2_8 1.553(13) . ?
C2_8 F2_8 1.316(15) . ?
C2_8 F3_8 1.326(14) . ?
C2_8 F1_8 1.343(14) . ?
C3_8 F5_8 1.309(16) . ?
C3_8 F6_8 1.360(15) . ?
C3_8 F4_8 1.363(16) . ?
C4_8 F9_8 1.304(15) . ?
C4_8 F8_8 1.346(13) . ?
C4_8 F7_8 1.353(14) . ?
O1_14 C1_14 1.351(18) . ?
O1_14 Al2 1.59(3) . ?
C1_14 C4_14 1.543(14) . ?
C1_14 C3_14 1.545(14) . ?
C1_14 C2_14 1.560(15) . ?
C2_14 F1_14 1.304(19) . ?
C2_14 F3_14 1.328(19) . ?
C2_14 F2_14 1.36(2) . ?
C3_14 F4_14 1.316(19) . ?
C3_14 F6_14 1.317(18) . ?
C3_14 F5_14 1.40(2) . ?
C4_14 F8_14 1.296(19) . ?
C4_14 F9_14 1.34(2) . ?
C4_14 F7_14 1.35(2) . ?
O1_13 C1_13 1.388(11) . ?
O1_13 Al2 1.798(10) . ?
O1_13 Cu1 2.167(14) . ?
C1_13 C4_13 1.525(11) . ?
C1_13 C2_13 1.545(11) . ?
C1_13 C3_13 1.548(12) . ?
C2_13 F1_13 1.299(15) . ?
C2_13 F3_13 1.328(13) . ?
C2_13 F2_13 1.351(14) . ?
C3_13 F4_13 1.307(12) . ?
C3_13 F6_13 1.333(12) . ?
C3_13 F5_13 1.359(14) . ?
C4_13 F8_13 1.253(13) . ?
C4_13 F9_13 1.325(15) . ?
C4_13 F7_13 1.358(12) . ?
O1_12 C1_12 1.349(17) . ?
O1_12 Al1 1.70(2) . ?
C1_12 C4_12 1.550(14) . ?
C1_12 C2_12 1.551(14) . ?
C1_12 C3_12 1.553(14) . ?
C2_12 F2_12 1.330(18) . ?
C2_12 F3_12 1.342(17) . ?
C2_12 F1_12 1.344(18) . ?
C3_12 F4_12 1.341(18) . ?
C3_12 F6_12 1.342(18) . ?
C3_12 F5_12 1.350(18) . ?
C4_12 F9_12 1.321(18) . ?
C4_12 F8_12 1.322(19) . ?
C4_12 F7_12 1.328(18) . ?
O1_11 C1_11 1.327(12) . ?
O1_11 Al1 1.711(10) . ?
C1_11 C3_11 1.550(11) . ?
C1_11 C2_11 1.550(11) . ?
C1_11 C4_11 1.552(11) . ?
C2_11 F3_11 1.324(13) . ?
C2_11 F1_11 1.338(13) . ?
C2_11 F2_11 1.340(12) . ?
C3_11 F5_11 1.324(11) . ?
C3_11 F6_11 1.333(11) . ?
C3_11 F4_11 1.359(12) . ?
C4_11 F8_11 1.317(11) . ?
C4_11 F9_11 1.346(12) . ?
C4_11 F7_11 1.355(11) . ?
O1_10 C1_10 1.363(18) . ?
O1_10 Al1 1.62(3) . ?
C1_10 C4_10 1.543(14) . ?
C1_10 C3_10 1.545(14) . ?
C1_10 C2_10 1.556(14) . ?
C2_10 F2_10 1.327(19) . ?
C2_10 F1_10 1.337(18) . ?
C2_10 F3_10 1.341(19) . ?
C3_10 F5_10 1.324(18) . ?
C3_10 F4_10 1.346(18) . ?
C3_10 F6_10 1.350(19) . ?
C4_10 F8_10 1.326(19) . ?
C4_10 F9_10 1.340(19) . ?
C4_10 F7_10 1.367(18) . ?
O1_9 C1_9 1.367(11) . ?
O1_9 Al1 1.721(12) . ?
C1_9 C3_9 1.539(11) . ?
C1_9 C2_9 1.541(11) . ?
C1_9 C4_9 1.561(11) . ?
C2_9 F1_9 1.322(12) . ?
C2_9 F2_9 1.335(13) . ?
C2_9 F3_9 1.353(11) . ?
C3_9 F5_9 1.338(13) . ?
C3_9 F4_9 1.355(12) . ?
C3_9 F6_9 1.357(13) . ?
C4_9 F9_9 1.324(12) . ?
C4_9 F8_9 1.329(13) . ?
C4_9 F7_9 1.343(13) . ?
O1_6 C1_6 1.368(18) . ?
O1_6 Al1 1.78(2) . ?
O1_6 Cu3 2.27(3) . ?
C1_6 C3_6 1.537(14) . ?
C1_6 C4_6 1.551(14) . ?
C1_6 C2_6 1.551(14) . ?
C2_6 F1_6 1.320(18) . ?
C2_6 F2_6 1.339(17) . ?
C2_6 F3_6 1.353(17) . ?
C3_6 F4_6 1.319(18) . ?
C3_6 F6_6 1.324(18) . ?
C3_6 F5_6 1.343(19) . ?
C4_6 F7_6 1.325(18) . ?
C4_6 F9_6 1.332(18) . ?
C4_6 F8_6 1.337(17) . ?
O1_4 C1_4 1.359(15) . ?
O1_4 Al3 1.725(11) . ?
C1_4 C4_4 1.529(13) . ?
C1_4 C2_4 1.553(13) . ?
C1_4 C3_4 1.558(14) . ?
C2_4 F3_4 1.283(17) . ?
C2_4 F2_4 1.363(17) . ?
C2_4 F1_4 1.364(17) . ?
C3_4 F5_4 1.287(18) . ?
C3_4 F6_4 1.301(17) . ?
C3_4 F4_4 1.334(17) . ?
C4_4 F9_4 1.281(18) . ?
C4_4 F7_4 1.343(16) . ?
C4_4 F8_4 1.379(19) . ?
O1_2 C1_2 1.358(18) . ?
O1_2 Al1 1.78(3) . ?
O1_2 Cu3 2.02(3) . ?
C1_2 C2_2 1.548(14) . ?
C1_2 C4_2 1.548(14) . ?
C1_2 C3_2 1.560(14) . ?
C2_2 F1_2 1.285(18) . ?
C2_2 F3_2 1.327(19) . ?
C2_2 F2_2 1.340(19) . ?
F3_2 Cu3 2.32(4) . ?
C3_2 F5_2 1.330(17) . ?
C3_2 F6_2 1.336(17) . ?
C3_2 F4_2 1.340(17) . ?
C4_2 F9_2 1.336(17) . ?
C4_2 F8_2 1.340(17) . ?
C4_2 F7_2 1.359(19) . ?
Cu3 O3 1.978(5) 6_565 ?
Cu3 O1_1 2.199(14) . ?
Cu3 O1_5 2.202(12) . ?
Cu3 Al1 2.7901(17) . ?
Al1 O1_5 1.774(9) . ?
Al1 O1_1 1.783(10) . ?
Al2 O1_14 1.59(3) 2_655 ?
Al2 O1_8 1.667(8) 2_655 ?
Al2 O1_13 1.798(10) 2_655 ?
Al2 O1_7 1.875(7) . ?
Al2 O1_7 1.875(7) 2_655 ?
Al3 O1_15 1.636(18) 2_656 ?
Al3 O1_4 1.725(11) 2_656 ?
Al3 O1_16 1.751(4) 2_656 ?
Al3 O1_3 1.804(10) . ?
Al3 O1_3 1.804(10) 2_656 ?
Al3 Cu2 2.9953(18) . ?
Al3 Cu2 2.9953(19) 2_656 ?
S1 O1 1.289(11) . ?
S1 O2 1.295(9) . ?
S1 O3 1.404(6) . ?
O2 Cu1 1.969(9) . ?
O1 Cu2 1.967(11) 3_544 ?
O3 Cu3 1.978(5) 6_665 ?
Cu1 O1_7 2.157(8) . ?
Cu2 O1 1.967(12) 3_455 ?
O1_1 C1_1 1.365(10) . ?
C1_1 C3_1 1.539(10) . ?
C1_1 C2_1 1.547(11) . ?
C1_1 C4_1 1.561(10) . ?
F1_1 C2_1 1.336(11) . ?
C2_1 F3_1 1.330(10) . ?
C2_1 F2_1 1.343(11) . ?
C3_1 F4_1 1.336(14) . ?
C3_1 F6_1 1.343(12) . ?
C3_1 F5_1 1.349(13) . ?
C4_1 F8_1 1.328(11) . ?
C4_1 F7_1 1.332(10) . ?
C4_1 F9_1 1.352(14) . ?
O1_3 C1_3 1.364(15) . ?
C1_3 C2_3 1.541(13) . ?
C1_3 C4_3 1.554(13) . ?
C1_3 C3_3 1.559(13) . ?
F1_3 C2_3 1.321(16) . ?
C2_3 F2_3 1.357(16) . ?
C2_3 F3_3 1.366(15) . ?
C3_3 F4_3 1.339(16) . ?
C3_3 F5_3 1.341(17) . ?
C3_3 F6_3 1.357(17) . ?
C4_3 F7_3 1.305(16) . ?
C4_3 F8_3 1.334(14) . ?
C4_3 F9_3 1.387(17) . ?
O1_5 C1_5 1.373(11) . ?
C1_5 C3_5 1.537(11) . ?
C1_5 C2_5 1.546(11) . ?
C1_5 C4_5 1.549(12) . ?
F1_5 C2_5 1.326(12) . ?
C2_5 F3_5 1.329(12) . ?
C2_5 F2_5 1.341(14) . ?
C3_5 F5_5 1.312(12) . ?
C3_5 F4_5 1.318(13) . ?
C3_5 F6_5 1.320(13) . ?
C4_5 F7_5 1.317(12) . ?
C4_5 F8_5 1.344(13) . ?
C4_5 F9_5 1.350(14) . ?
O1_7 C1_7 1.360(13) . ?
C1_7 C4_7 1.548(12) . ?
C1_7 C3_7 1.554(12) . ?
C1_7 C2_7 1.557(12) . ?
F1_7 C2_7 1.337(13) . ?
C2_7 F3_7 1.323(15) . ?
C2_7 F2_7 1.342(12) . ?
C3_7 F6_7 1.315(14) . ?
C3_7 F5_7 1.327(12) . ?
C3_7 F4_7 1.357(13) . ?
C4_7 F7_7 1.314(12) . ?
C4_7 F8_7 1.326(12) . ?
C4_7 F9_7 1.341(12) . ?

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 Al3 148.3(4) . . ?
C1_16 O1_16 Cu2 111.8(4) . . ?
Al3 O1_16 Cu2 99.78(18) . . ?
O1_16 C1_16 C4_16 110.5(5) . . ?
O1_16 C1_16 C2_16 109.5(6) . . ?
C4_16 C1_16 C2_16 110.6(7) . . ?
O1_16 C1_16 C3_16 109.1(5) . . ?
C4_16 C1_16 C3_16 108.8(6) . . ?
C2_16 C1_16 C3_16 108.4(5) . . ?
F3_16 C2_16 F2_16 110.0(9) . . ?
F3_16 C2_16 F1_16 105.5(9) . . ?
F2_16 C2_16 F1_16 109.9(9) . . ?
F3_16 C2_16 C1_16 111.2(8) . . ?
F2_16 C2_16 C1_16 112.4(8) . . ?
F1_16 C2_16 C1_16 107.6(7) . . ?
C2_16 F3_16 Cu2 114.0(5) . . ?
F6_16 C3_16 F4_16 109.7(6) . . ?
F6_16 C3_16 F5_16 104.6(5) . . ?
F4_16 C3_16 F5_16 106.0(6) . . ?
F6_16 C3_16 C1_16 113.8(5) . . ?
F4_16 C3_16 C1_16 111.6(5) . . ?
F5_16 C3_16 C1_16 110.7(5) . . ?
F9_16 C4_16 F8_16 110.1(8) . . ?
F9_16 C4_16 F7_16 106.0(8) . . ?
F8_16 C4_16 F7_16 106.2(7) . . ?
F9_16 C4_16 C1_16 111.6(6) . . ?
F8_16 C4_16 C1_16 112.5(8) . . ?
F7_16 C4_16 C1_16 110.1(8) . . ?
C1_15 O1_15 Al3 163(2) . . ?
O1_15 C1_15 C2_15 113.7(16) . . ?
O1_15 C1_15 C4_15 109.3(16) . . ?
C2_15 C1_15 C4_15 109.5(15) . . ?
O1_15 C1_15 C3_15 105.5(15) . . ?
C2_15 C1_15 C3_15 112.2(16) . . ?
C4_15 C1_15 C3_15 106.4(16) . . ?
F2_15 C2_15 F3_15 108.9(18) . . ?
F2_15 C2_15 F1_15 107.2(17) . . ?
F3_15 C2_15 F1_15 100.1(17) . . ?
F2_15 C2_15 C1_15 111.0(16) . . ?
F3_15 C2_15 C1_15 112.8(17) . . ?
F1_15 C2_15 C1_15 116(2) . . ?
F5_15 C3_15 F6_15 116(2) . . ?
F5_15 C3_15 F4_15 111(2) . . ?
F6_15 C3_15 F4_15 107(2) . . ?
F5_15 C3_15 C1_15 110(2) . . ?
F6_15 C3_15 C1_15 111(2) . . ?
F4_15 C3_15 C1_15 100.5(19) . . ?
F7_15 C4_15 F9_15 106(2) . . ?
F7_15 C4_15 F8_15 104.1(19) . . ?
F9_15 C4_15 F8_15 108(2) . . ?
F7_15 C4_15 C1_15 110.6(16) . . ?
F9_15 C4_15 C1_15 116(3) . . ?
F8_15 C4_15 C1_15 111(2) . . ?
C1_8 O1_8 Al2 151.0(8) . . ?
O1_8 C1_8 C3_8 109.2(11) . . ?
O1_8 C1_8 C4_8 111.0(10) . . ?
C3_8 C1_8 C4_8 109.7(10) . . ?
O1_8 C1_8 C2_8 107.6(9) . . ?
C3_8 C1_8 C2_8 110.5(11) . . ?
C4_8 C1_8 C2_8 108.8(10) . . ?
F2_8 C2_8 F3_8 107.6(11) . . ?
F2_8 C2_8 F1_8 107.5(11) . . ?
F3_8 C2_8 F1_8 106.8(11) . . ?
F2_8 C2_8 C1_8 113.5(10) . . ?
F3_8 C2_8 C1_8 111.2(11) . . ?
F1_8 C2_8 C1_8 109.9(10) . . ?
F5_8 C3_8 F6_8 112.2(15) . . ?
F5_8 C3_8 F4_8 107.8(16) . . ?
F6_8 C3_8 F4_8 104.5(11) . . ?
F5_8 C3_8 C1_8 111.5(14) . . ?
F6_8 C3_8 C1_8 109.7(12) . . ?
F4_8 C3_8 C1_8 110.8(12) . . ?
F9_8 C4_8 F8_8 111.7(14) . . ?
F9_8 C4_8 F7_8 106.4(13) . . ?
F8_8 C4_8 F7_8 106.8(11) . . ?
F9_8 C4_8 C1_8 111.5(15) . . ?
F8_8 C4_8 C1_8 110.8(10) . . ?
F7_8 C4_8 C1_8 109.4(11) . . ?
C1_14 O1_14 Al2 158(3) . . ?
O1_14 C1_14 C4_14 113.1(19) . . ?
O1_14 C1_14 C3_14 110.7(19) . . ?
C4_14 C1_14 C3_14 111.2(17) . . ?
O1_14 C1_14 C2_14 112(2) . . ?
C4_14 C1_14 C2_14 106.5(16) . . ?
C3_14 C1_14 C2_14 102.9(15) . . ?
F1_14 C2_14 F3_14 118(2) . . ?
F1_14 C2_14 F2_14 112(2) . . ?
F3_14 C2_14 F2_14 103.1(18) . . ?
F1_14 C2_14 C1_14 109(2) . . ?
F3_14 C2_14 C1_14 109.2(18) . . ?
F2_14 C2_14 C1_14 104.1(18) . . ?
F4_14 C3_14 F6_14 113(2) . . ?
F4_14 C3_14 F5_14 112(2) . . ?
F6_14 C3_14 F5_14 85.2(15) . . ?
F4_14 C3_14 C1_14 110(2) . . ?
F6_14 C3_14 C1_14 125.9(19) . . ?
F5_14 C3_14 C1_14 106.4(17) . . ?
F8_14 C4_14 F9_14 112.4(19) . . ?
F8_14 C4_14 F7_14 104.6(19) . . ?
F9_14 C4_14 F7_14 102.1(19) . . ?
F8_14 C4_14 C1_14 115.8(18) . . ?
F9_14 C4_14 C1_14 107.0(17) . . ?
F7_14 C4_14 C1_14 114(2) . . ?
C1_13 O1_13 Al2 145.3(10) . . ?
C1_13 O1_13 Cu1 113.2(8) . . ?
Al2 O1_13 Cu1 101.4(5) . . ?
O1_13 C1_13 C4_13 110.0(9) . . ?
O1_13 C1_13 C2_13 109.0(9) . . ?
C4_13 C1_13 C2_13 109.5(8) . . ?
O1_13 C1_13 C3_13 108.3(9) . . ?
C4_13 C1_13 C3_13 113.3(10) . . ?
C2_13 C1_13 C3_13 106.6(9) . . ?
F1_13 C2_13 F3_13 102.0(10) . . ?
F1_13 C2_13 F2_13 107.6(11) . . ?
F3_13 C2_13 F2_13 111.0(12) . . ?
F1_13 C2_13 C1_13 112.4(11) . . ?
F3_13 C2_13 C1_13 112.5(9) . . ?
F2_13 C2_13 C1_13 110.9(9) . . ?
F4_13 C3_13 F6_13 107.1(9) . . ?
F4_13 C3_13 F5_13 105.2(11) . . ?
F6_13 C3_13 F5_13 106.2(11) . . ?
F4_13 C3_13 C1_13 113.0(10) . . ?
F6_13 C3_13 C1_13 115.5(10) . . ?
F5_13 C3_13 C1_13 109.1(9) . . ?
F8_13 C4_13 F9_13 98.3(10) . . ?
F8_13 C4_13 F7_13 114.5(11) . . ?
F9_13 C4_13 F7_13 106.7(12) . . ?
F8_13 C4_13 C1_13 114.9(11) . . ?
F9_13 C4_13 C1_13 112.8(10) . . ?
F7_13 C4_13 C1_13 109.0(9) . . ?
C1_12 O1_12 Al1 160(2) . . ?
O1_12 C1_12 C4_12 109.2(17) . . ?
O1_12 C1_12 C2_12 111.5(17) . . ?
C4_12 C1_12 C2_12 108.2(14) . . ?
O1_12 C1_12 C3_12 108.8(16) . . ?
C4_12 C1_12 C3_12 108.2(14) . . ?
C2_12 C1_12 C3_12 110.8(14) . . ?
F2_12 C2_12 F3_12 105.7(15) . . ?
F2_12 C2_12 F1_12 111.4(17) . . ?
F3_12 C2_12 F1_12 107.3(15) . . ?
F2_12 C2_12 C1_12 111.3(15) . . ?
F3_12 C2_12 C1_12 107.8(15) . . ?
F1_12 C2_12 C1_12 112.9(15) . . ?
F4_12 C3_12 F6_12 108.2(16) . . ?
F4_12 C3_12 F5_12 104.7(15) . . ?
F6_12 C3_12 F5_12 109.0(17) . . ?
F4_12 C3_12 C1_12 110.5(14) . . ?
F6_12 C3_12 C1_12 114.6(15) . . ?
F5_12 C3_12 C1_12 109.3(15) . . ?
F9_12 C4_12 F8_12 109.0(19) . . ?
F9_12 C4_12 F7_12 108.6(18) . . ?
F8_12 C4_12 F7_12 106.9(18) . . ?
F9_12 C4_12 C1_12 108.9(18) . . ?
F8_12 C4_12 C1_12 113.8(19) . . ?
F7_12 C4_12 C1_12 109.6(18) . . ?
C1_11 O1_11 Al1 154.9(10) . . ?
O1_11 C1_11 C3_11 112.6(8) . . ?
O1_11 C1_11 C2_11 109.6(9) . . ?
C3_11 C1_11 C2_11 108.6(9) . . ?
O1_11 C1_11 C4_11 110.7(9) . . ?
C3_11 C1_11 C4_11 107.3(8) . . ?
C2_11 C1_11 C4_11 108.0(8) . . ?
F3_11 C2_11 F1_11 107.9(11) . . ?
F3_11 C2_11 F2_11 106.0(11) . . ?
F1_11 C2_11 F2_11 109.2(11) . . ?
F3_11 C2_11 C1_11 111.6(11) . . ?
F1_11 C2_11 C1_11 110.9(10) . . ?
F2_11 C2_11 C1_11 111.1(10) . . ?
F5_11 C3_11 F6_11 108.5(9) . . ?
F5_11 C3_11 F4_11 106.4(8) . . ?
F6_11 C3_11 F4_11 107.6(9) . . ?
F5_11 C3_11 C1_11 111.0(8) . . ?
F6_11 C3_11 C1_11 113.3(8) . . ?
F4_11 C3_11 C1_11 109.7(9) . . ?
F8_11 C4_11 F9_11 107.8(8) . . ?
F8_11 C4_11 F7_11 107.7(9) . . ?
F9_11 C4_11 F7_11 105.2(8) . . ?
F8_11 C4_11 C1_11 115.8(8) . . ?
F9_11 C4_11 C1_11 109.9(8) . . ?
F7_11 C4_11 C1_11 109.8(7) . . ?
C1_10 O1_10 Al1 156(3) . . ?
O1_10 C1_10 C4_10 109.3(19) . . ?
O1_10 C1_10 C3_10 109.3(19) . . ?
C4_10 C1_10 C3_10 109.4(15) . . ?
O1_10 C1_10 C2_10 110.0(19) . . ?
C4_10 C1_10 C2_10 109.0(15) . . ?
C3_10 C1_10 C2_10 109.8(14) . . ?
F2_10 C2_10 F1_10 107(2) . . ?
F2_10 C2_10 F3_10 105(2) . . ?
F1_10 C2_10 F3_10 109.6(18) . . ?
F2_10 C2_10 C1_10 117(2) . . ?
F1_10 C2_10 C1_10 109.5(15) . . ?
F3_10 C2_10 C1_10 109(2) . . ?
F5_10 C3_10 F4_10 110.4(17) . . ?
F5_10 C3_10 F6_10 107(2) . . ?
F4_10 C3_10 F6_10 108(2) . . ?
F5_10 C3_10 C1_10 110.8(15) . . ?
F4_10 C3_10 C1_10 112.6(19) . . ?
F6_10 C3_10 C1_10 108(2) . . ?
F8_10 C4_10 F9_10 106.3(19) . . ?
F8_10 C4_10 F7_10 108.0(19) . . ?
F9_10 C4_10 F7_10 107.5(16) . . ?
F8_10 C4_10 C1_10 112(2) . . ?
F9_10 C4_10 C1_10 111.3(17) . . ?
F7_10 C4_10 C1_10 111.1(15) . . ?
C1_9 O1_9 Al1 150.9(12) . . ?
O1_9 C1_9 C3_9 111.5(10) . . ?
O1_9 C1_9 C2_9 107.2(9) . . ?
C3_9 C1_9 C2_9 109.6(8) . . ?
O1_9 C1_9 C4_9 111.1(10) . . ?
C3_9 C1_9 C4_9 109.1(8) . . ?
C2_9 C1_9 C4_9 108.3(8) . . ?
F1_9 C2_9 F2_9 106.7(11) . . ?
F1_9 C2_9 F3_9 108.7(9) . . ?
F2_9 C2_9 F3_9 105.8(10) . . ?
F1_9 C2_9 C1_9 111.0(9) . . ?
F2_9 C2_9 C1_9 114.1(10) . . ?
F3_9 C2_9 C1_9 110.2(8) . . ?
F5_9 C3_9 F4_9 107.3(9) . . ?
F5_9 C3_9 F6_9 108.7(11) . . ?
F4_9 C3_9 F6_9 108.7(9) . . ?
F5_9 C3_9 C1_9 110.8(9) . . ?
F4_9 C3_9 C1_9 111.0(8) . . ?
F6_9 C3_9 C1_9 110.3(10) . . ?
F9_9 C4_9 F8_9 108.5(10) . . ?
F9_9 C4_9 F7_9 108.7(9) . . ?
F8_9 C4_9 F7_9 108.9(11) . . ?
F9_9 C4_9 C1_9 111.5(8) . . ?
F8_9 C4_9 C1_9 110.0(10) . . ?
F7_9 C4_9 C1_9 109.3(10) . . ?
C1_6 O1_6 Al1 146(2) . . ?
C1_6 O1_6 Cu3 114.2(16) . . ?
Al1 O1_6 Cu3 86.2(9) . . ?
O1_6 C1_6 C3_6 110.6(16) . . ?
O1_6 C1_6 C4_6 108.7(15) . . ?
C3_6 C1_6 C4_6 108.4(14) . . ?
O1_6 C1_6 C2_6 109.6(15) . . ?
C3_6 C1_6 C2_6 110.5(15) . . ?
C4_6 C1_6 C2_6 109.0(14) . . ?
F1_6 C2_6 F2_6 107.7(15) . . ?
F1_6 C2_6 F3_6 108.8(15) . . ?
F2_6 C2_6 F3_6 106.8(15) . . ?
F1_6 C2_6 C1_6 110.7(15) . . ?
F2_6 C2_6 C1_6 112.6(15) . . ?
F3_6 C2_6 C1_6 110.2(13) . . ?
F4_6 C3_6 F6_6 108.9(18) . . ?
F4_6 C3_6 F5_6 108.2(17) . . ?
F6_6 C3_6 F5_6 104.6(17) . . ?
F4_6 C3_6 C1_6 109.2(16) . . ?
F6_6 C3_6 C1_6 113.4(18) . . ?
F5_6 C3_6 C1_6 112.2(17) . . ?
F7_6 C4_6 F9_6 107.5(15) . . ?
F7_6 C4_6 F8_6 107.7(15) . . ?
F9_6 C4_6 F8_6 105.9(15) . . ?
F7_6 C4_6 C1_6 111.5(14) . . ?
F9_6 C4_6 C1_6 110.4(14) . . ?
F8_6 C4_6 C1_6 113.5(15) . . ?
C1_4 O1_4 Al3 162.1(11) . . ?
O1_4 C1_4 C4_4 116.3(13) . . ?
O1_4 C1_4 C2_4 110.2(11) . . ?
C4_4 C1_4 C2_4 109.1(12) . . ?
O1_4 C1_4 C3_4 109.5(12) . . ?
C4_4 C1_4 C3_4 102.7(13) . . ?
C2_4 C1_4 C3_4 108.6(12) . . ?
F3_4 C2_4 F2_4 111.6(16) . . ?
F3_4 C2_4 F1_4 111.2(16) . . ?
F2_4 C2_4 F1_4 100.1(14) . . ?
F3_4 C2_4 C1_4 111.6(13) . . ?
F2_4 C2_4 C1_4 112.4(14) . . ?
F1_4 C2_4 C1_4 109.5(12) . . ?
F5_4 C3_4 F6_4 111.7(18) . . ?
F5_4 C3_4 F4_4 102.7(16) . . ?
F6_4 C3_4 F4_4 116.9(16) . . ?
F5_4 C3_4 C1_4 105.1(16) . . ?
F6_4 C3_4 C1_4 110.7(14) . . ?
F4_4 C3_4 C1_4 108.9(13) . . ?
F9_4 C4_4 F7_4 108.3(16) . . ?
F9_4 C4_4 F8_4 105.5(19) . . ?
F7_4 C4_4 F8_4 104.1(17) . . ?
F9_4 C4_4 C1_4 117.3(15) . . ?
F7_4 C4_4 C1_4 115.1(14) . . ?
F8_4 C4_4 C1_4 105.2(19) . . ?
C1_2 O1_2 Al1 142(2) . . ?
C1_2 O1_2 Cu3 123(2) . . ?
Al1 O1_2 Cu3 94.0(9) . . ?
O1_2 C1_2 C2_2 108.3(16) . . ?
O1_2 C1_2 C4_2 110.9(17) . . ?
C2_2 C1_2 C4_2 110.2(14) . . ?
O1_2 C1_2 C3_2 110.5(17) . . ?
C2_2 C1_2 C3_2 109.4(14) . . ?
C4_2 C1_2 C3_2 107.6(13) . . ?
F1_2 C2_2 F3_2 111(2) . . ?
F1_2 C2_2 F2_2 110(2) . . ?
F3_2 C2_2 F2_2 108(2) . . ?
F1_2 C2_2 C1_2 109.5(15) . . ?
F3_2 C2_2 C1_2 106(2) . . ?
F2_2 C2_2 C1_2 112(2) . . ?
C2_2 F3_2 Cu3 108(2) . . ?
F5_2 C3_2 F6_2 108.2(15) . . ?
F5_2 C3_2 F4_2 107.2(15) . . ?
F6_2 C3_2 F4_2 106.9(14) . . ?
F5_2 C3_2 C1_2 111.5(13) . . ?
F6_2 C3_2 C1_2 113.7(14) . . ?
F4_2 C3_2 C1_2 109.1(14) . . ?
F9_2 C4_2 F8_2 108.8(15) . . ?
F9_2 C4_2 F7_2 106.2(16) . . ?
F8_2 C4_2 F7_2 106.2(18) . . ?
F9_2 C4_2 C1_2 110.9(14) . . ?
F8_2 C4_2 C1_2 112.0(15) . . ?
F7_2 C4_2 C1_2 112.4(18) . . ?
O3 Cu3 O1_2 154.4(8) 6_565 . ?
O3 Cu3 O1_1 149.9(4) 6_565 . ?
O3 Cu3 O1_5 136.5(3) 6_565 . ?
O1_1 Cu3 O1_5 72.1(4) . . ?
O3 Cu3 O1_6 130.6(6) 6_565 . ?
O1_2 Cu3 O1_6 73.5(10) . . ?
O3 Cu3 F3_2 86.6(7) 6_565 . ?
O1_2 Cu3 F3_2 71.5(10) . . ?
O1_6 Cu3 F3_2 141.9(9) . . ?
O3 Cu3 Al1 153.9(2) 6_565 . ?
O1_2 Cu3 Al1 39.6(7) . . ?
O1_1 Cu3 Al1 39.7(3) . . ?
O1_5 Cu3 Al1 39.5(2) . . ?
O1_6 Cu3 Al1 39.4(5) . . ?
F3_2 Cu3 Al1 110.6(8) . . ?
O1_10 Al1 O1_12 111.0(19) . . ?
O1_11 Al1 O1_9 116.0(8) . . ?
O1_11 Al1 O1_5 108.7(5) . . ?
O1_9 Al1 O1_5 115.2(7) . . ?
O1_10 Al1 O1_6 119.8(18) . . ?
O1_12 Al1 O1_6 105.9(13) . . ?
O1_10 Al1 O1_2 119.1(17) . . ?
O1_12 Al1 O1_2 106.0(15) . . ?
O1_6 Al1 O1_2 92.9(12) . . ?
O1_11 Al1 O1_1 107.3(6) . . ?
O1_9 Al1 O1_1 113.7(7) . . ?
O1_5 Al1 O1_1 93.5(6) . . ?
O1_10 Al1 Cu3 157.2(14) . . ?
O1_12 Al1 Cu3 91.3(12) . . ?
O1_11 Al1 Cu3 90.7(5) . . ?
O1_9 Al1 Cu3 153.3(5) . . ?
O1_5 Al1 Cu3 52.1(4) . . ?
O1_6 Al1 Cu3 54.4(9) . . ?
O1_2 Al1 Cu3 46.4(9) . . ?
O1_1 Al1 Cu3 52.0(4) . . ?
O1_14 Al2 O1_14 110(3) 2_655 . ?
O1_14 Al2 O1_8 110.2(16) 2_655 . ?
O1_14 Al2 O1_8 117.7(16) . . ?
O1_14 Al2 O1_8 117.7(16) 2_655 2_655 ?
O1_14 Al2 O1_8 110.2(16) . 2_655 ?
O1_8 Al2 O1_8 90.2(6) . 2_655 ?
O1_13 Al2 O1_13 114.4(10) . 2_655 ?
O1_13 Al2 O1_7 85.9(5) . . ?
O1_13 Al2 O1_7 120.0(5) 2_655 . ?
O1_13 Al2 O1_7 120.0(5) . 2_655 ?
O1_13 Al2 O1_7 85.9(5) 2_655 2_655 ?
O1_7 Al2 O1_7 133.4(5) . 2_655 ?
O1_15 Al3 O1_15 89.2(17) 2_656 . ?
O1_4 Al3 O1_4 109.4(8) 2_656 . ?
O1_15 Al3 O1_16 115.5(8) 2_656 . ?
O1_15 Al3 O1_16 109.3(9) . . ?
O1_4 Al3 O1_16 103.3(4) 2_656 . ?
O1_4 Al3 O1_16 112.8(5) . . ?
O1_15 Al3 O1_16 109.3(9) 2_656 2_656 ?
O1_15 Al3 O1_16 115.5(8) . 2_656 ?
O1_4 Al3 O1_16 112.8(5) 2_656 2_656 ?
O1_4 Al3 O1_16 103.3(4) . 2_656 ?
O1_16 Al3 O1_16 115.3(3) . 2_656 ?
O1_16 Al3 O1_3 88.4(4) . . ?
O1_16 Al3 O1_3 115.5(4) 2_656 . ?
O1_16 Al3 O1_3 115.5(4) . 2_656 ?
O1_16 Al3 O1_3 88.4(4) 2_656 2_656 ?
O1_3 Al3 O1_3 135.9(7) . 2_656 ?
O1_4 Al3 Cu2 122.9(5) 2_656 . ?
O1_4 Al3 Cu2 68.0(5) . . ?
O1_16 Al3 Cu2 45.05(14) . . ?
O1_16 Al3 Cu2 123.42(16) 2_656 . ?
O1_4 Al3 Cu2 68.0(5) 2_656 2_656 ?
O1_4 Al3 Cu2 122.9(5) . 2_656 ?
O1_16 Al3 Cu2 123.42(16) . 2_656 ?
O1_16 Al3 Cu2 45.05(14) 2_656 2_656 ?
Cu2 Al3 Cu2 163.25(11) . 2_656 ?
O1 S1 O3 126.1(5) . . ?
O2 S1 O3 130.0(5) . . ?
S1 O2 Cu1 143.3(6) . . ?
S1 O1 Cu2 146.0(7) . 3_544 ?
S1 O3 Cu3 149.9(5) . 6_665 ?
O2 Cu1 O1_7 140.1(3) . . ?
O2 Cu1 O1_13 149.1(4) . . ?
O1_7 Cu1 O1_13 70.7(3) . . ?
O1 Cu2 O1_16 146.5(3) 3_455 . ?
O1 Cu2 F3_16 87.2(3) 3_455 . ?
O1_16 Cu2 F3_16 69.7(2) . . ?
O1 Cu2 Al3 174.4(3) 3_455 . ?
O1_16 Cu2 Al3 35.17(11) . . ?
F3_16 Cu2 Al3 97.54(18) . . ?
C1_1 O1_1 Al1 142.4(10) . . ?
C1_1 O1_1 Cu3 117.6(8) . . ?
Al1 O1_1 Cu3 88.3(4) . . ?
O1_1 C1_1 C3_1 109.9(8) . . ?
O1_1 C1_1 C2_1 109.5(9) . . ?
C3_1 C1_1 C2_1 109.2(7) . . ?
O1_1 C1_1 C4_1 111.3(8) . . ?
C3_1 C1_1 C4_1 109.2(8) . . ?
C2_1 C1_1 C4_1 107.8(7) . . ?
F3_1 C2_1 F1_1 107.1(8) . . ?
F3_1 C2_1 F2_1 107.6(7) . . ?
F1_1 C2_1 F2_1 106.0(9) . . ?
F3_1 C2_1 C1_1 114.2(8) . . ?
F1_1 C2_1 C1_1 111.6(7) . . ?
F2_1 C2_1 C1_1 109.9(8) . . ?
F4_1 C3_1 F6_1 105.8(11) . . ?
F4_1 C3_1 F5_1 107.8(12) . . ?
F6_1 C3_1 F5_1 107.4(10) . . ?
F4_1 C3_1 C1_1 113.7(11) . . ?
F6_1 C3_1 C1_1 110.6(8) . . ?
F5_1 C3_1 C1_1 111.2(9) . . ?
F8_1 C4_1 F7_1 108.6(8) . . ?
F8_1 C4_1 F9_1 108.2(9) . . ?
F7_1 C4_1 F9_1 108.7(10) . . ?
F8_1 C4_1 C1_1 109.4(7) . . ?
F7_1 C4_1 C1_1 111.4(8) . . ?
F9_1 C4_1 C1_1 110.4(9) . . ?
C1_3 O1_3 Al3 142.3(11) . . ?
O1_3 C1_3 C2_3 109.3(11) . . ?
O1_3 C1_3 C4_3 108.9(11) . . ?
C2_3 C1_3 C4_3 109.8(12) . . ?
O1_3 C1_3 C3_3 111.1(11) . . ?
C2_3 C1_3 C3_3 112.6(12) . . ?
C4_3 C1_3 C3_3 105.0(11) . . ?
F1_3 C2_3 F2_3 108.9(15) . . ?
F1_3 C2_3 F3_3 107.2(13) . . ?
F2_3 C2_3 F3_3 106.8(14) . . ?
F1_3 C2_3 C1_3 111.1(13) . . ?
F2_3 C2_3 C1_3 108.8(12) . . ?
F3_3 C2_3 C1_3 113.9(15) . . ?
F4_3 C3_3 F5_3 107.3(16) . . ?
F4_3 C3_3 F6_3 111.6(15) . . ?
F5_3 C3_3 F6_3 107.2(16) . . ?
F4_3 C3_3 C1_3 111.0(14) . . ?
F5_3 C3_3 C1_3 110.5(15) . . ?
F6_3 C3_3 C1_3 109.3(15) . . ?
F7_3 C4_3 F8_3 113.3(12) . . ?
F7_3 C4_3 F9_3 102.9(13) . . ?
F8_3 C4_3 F9_3 100.7(13) . . ?
F7_3 C4_3 C1_3 115.6(11) . . ?
F8_3 C4_3 C1_3 113.8(12) . . ?
F9_3 C4_3 C1_3 108.6(13) . . ?
C1_5 O1_5 Al1 145.7(9) . . ?
C1_5 O1_5 Cu3 124.6(8) . . ?
Al1 O1_5 Cu3 88.5(4) . . ?
O1_5 C1_5 C3_5 113.6(9) . . ?
O1_5 C1_5 C2_5 107.1(8) . . ?
C3_5 C1_5 C2_5 109.7(9) . . ?
O1_5 C1_5 C4_5 109.1(8) . . ?
C3_5 C1_5 C4_5 109.5(9) . . ?
C2_5 C1_5 C4_5 107.6(9) . . ?
F1_5 C2_5 F3_5 107.7(10) . . ?
F1_5 C2_5 F2_5 107.0(10) . . ?
F3_5 C2_5 F2_5 107.1(9) . . ?
F1_5 C2_5 C1_5 113.4(9) . . ?
F3_5 C2_5 C1_5 112.1(9) . . ?
F2_5 C2_5 C1_5 109.2(9) . . ?
F5_5 C3_5 F4_5 109.8(10) . . ?
F5_5 C3_5 F6_5 108.0(10) . . ?
F4_5 C3_5 F6_5 106.4(10) . . ?
F5_5 C3_5 C1_5 111.7(10) . . ?
F4_5 C3_5 C1_5 109.4(9) . . ?
F6_5 C3_5 C1_5 111.3(10) . . ?
F7_5 C4_5 F8_5 106.3(10) . . ?
F7_5 C4_5 F9_5 108.8(10) . . ?
F8_5 C4_5 F9_5 107.2(10) . . ?
F7_5 C4_5 C1_5 114.4(9) . . ?
F8_5 C4_5 C1_5 109.4(9) . . ?
F9_5 C4_5 C1_5 110.3(10) . . ?
C1_7 O1_7 Al2 143.4(8) . . ?
C1_7 O1_7 Cu1 116.3(7) . . ?
Al2 O1_7 Cu1 99.2(3) . . ?
O1_7 C1_7 C4_7 111.8(10) . . ?
O1_7 C1_7 C3_7 109.0(10) . . ?
C4_7 C1_7 C3_7 109.1(10) . . ?
O1_7 C1_7 C2_7 107.7(9) . . ?
C4_7 C1_7 C2_7 110.1(9) . . ?
C3_7 C1_7 C2_7 109.1(10) . . ?
F3_7 C2_7 F1_7 105.8(12) . . ?
F3_7 C2_7 F2_7 105.8(11) . . ?
F1_7 C2_7 F2_7 107.0(11) . . ?
F3_7 C2_7 C1_7 114.7(12) . . ?
F1_7 C2_7 C1_7 112.2(9) . . ?
F2_7 C2_7 C1_7 110.7(10) . . ?
F6_7 C3_7 F5_7 109.2(12) . . ?
F6_7 C3_7 F4_7 104.5(11) . . ?
F5_7 C3_7 F4_7 106.8(10) . . ?
F6_7 C3_7 C1_7 111.2(13) . . ?
F5_7 C3_7 C1_7 112.4(9) . . ?
F4_7 C3_7 C1_7 112.4(9) . . ?
F7_7 C4_7 F8_7 108.8(9) . . ?
F7_7 C4_7 F9_7 109.0(9) . . ?
F8_7 C4_7 F9_7 109.3(9) . . ?
F7_7 C4_7 C1_7 112.0(10) . . ?
F8_7 C4_7 C1_7 108.5(9) . . ?
F9_7 C4_7 C1_7 109.2(9) . . ?

_refine_diff_density_max         0.706
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.097

####################################################################### 
# 
# 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_AgCH2Cl2_100K_Twin_Rac
_database_code_depnum_ccdc_archive 'CCDC 1960208'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 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         ?
_chemical_formula_sum            'C17 H2 Ag Al Cl2 F36 O4'
_chemical_formula_weight         1159.94

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'
Cl Cl 0.1484 0.1585 '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                   17.8865(12)
_cell_length_b                   17.8859(12)
_cell_length_c                   20.2655(13)
_cell_angle_alpha                90.027(3)
_cell_angle_beta                 89.997(3)
_cell_angle_gamma                101.127(3)
_cell_volume                     6361.4(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9160
_cell_measurement_theta_min      2.329
_cell_measurement_theta_max      26.395

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.422
_exptl_crystal_F_000             4432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    1.072
_shelx_estimated_absorpt_T_min   0.725
_shelx_estimated_absorpt_T_max   0.847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6776
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
'TWINABS 2012/1, Sheldrick, University of Goettingen, Germany'
_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            22600
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.005
_diffrn_reflns_theta_max         25.194
_diffrn_reflns_theta_full        25.194
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             22600
_reflns_number_gt                21853
_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 v2013.10-0'
_computing_cell_refinement       'SAINT V8.34A'
_computing_data_reduction        'SAINT V8.34A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2014/3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 4-component 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)+(0.0351P)²+9.6468P] 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         22600
_refine_ls_number_parameters     2515
_refine_ls_number_restraints     51984
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0708
_refine_ls_wR_factor_gt          0.0695
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      0.859
_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_17 O -0.0791(2) 0.2103(3) 0.3723(2) 0.0263(11) Uani 1 1 d D U . . .
C1_17 C -0.1349(3) 0.1811(3) 0.4154(3) 0.0173(12) Uani 1 1 d D U . . .
C2_17 C -0.2126(3) 0.1767(3) 0.3790(3) 0.0178(12) Uani 1 1 d D U . . .
F1_17 F -0.2143(2) 0.2421(2) 0.3463(2) 0.0395(10) Uani 1 1 d D U . . .
F2_17 F -0.2713(2) 0.1660(3) 0.41956(19) 0.0306(9) Uani 1 1 d D U . . .
F3_17 F -0.2243(2) 0.1203(2) 0.33484(18) 0.0297(9) Uani 1 1 d D U . . .
C3_17 C -0.1290(3) 0.0996(3) 0.4389(3) 0.0267(13) Uani 1 1 d D U . . .
F4_17 F -0.0742(2) 0.1019(3) 0.4831(2) 0.0347(10) Uani 1 1 d D U . . .
F5_17 F -0.1146(3) 0.0580(3) 0.3879(2) 0.0514(13) Uani 1 1 d D U . . .
F6_17 F -0.1945(2) 0.0645(2) 0.4659(2) 0.0409(11) Uani 1 1 d D U . . .
C4_17 C -0.1300(3) 0.2349(3) 0.4764(2) 0.0199(12) Uani 1 1 d D U . . .
F7_17 F -0.0589(2) 0.2500(2) 0.49963(17) 0.0239(9) Uani 1 1 d D U . . .
F8_17 F -0.1750(2) 0.2066(2) 0.52473(17) 0.0297(9) Uani 1 1 d D U . . .
F9_17 F -0.1475(3) 0.3012(2) 0.45814(19) 0.0352(10) Uani 1 1 d D U . . .
O1_16 O 0.0051(2) 0.2642(2) 0.27054(16) 0.0178(8) Uani 1 1 d D U . . .
C1_16 C 0.0011(3) 0.2432(3) 0.2052(2) 0.0198(11) Uani 1 1 d D U . . .
C2_16 C 0.0647(3) 0.2003(3) 0.1867(2) 0.0237(12) Uani 1 1 d D U . . .
F1_16 F 0.1300(2) 0.2343(2) 0.21489(18) 0.0327(9) Uani 1 1 d D U . . .
F2_16 F 0.0756(2) 0.1983(2) 0.12166(16) 0.0320(9) Uani 1 1 d D U . . .
F3_16 F 0.0480(2) 0.1290(2) 0.20717(18) 0.0360(10) Uani 1 1 d D U . . .
C3_16 C -0.0783(3) 0.1914(4) 0.1910(3) 0.0308(14) Uani 1 1 d D U . . .
F4_16 F -0.1324(2) 0.2334(3) 0.1947(2) 0.0487(11) Uani 1 1 d D U . . .
F5_16 F -0.0930(3) 0.1381(2) 0.23612(19) 0.0451(11) Uani 1 1 d D U . . .
F6_16 F -0.0823(2) 0.1586(3) 0.13192(19) 0.0438(11) Uani 1 1 d D U . . .
C4_16 C 0.0092(3) 0.3169(3) 0.1634(3) 0.0301(13) Uani 1 1 d D U . . .
F7_16 F -0.0289(2) 0.3664(2) 0.18950(18) 0.0343(9) Uani 1 1 d D U . . .
F8_16 F -0.0158(2) 0.3021(2) 0.10257(16) 0.0349(10) Uani 1 1 d D U . . .
F9_16 F 0.0817(2) 0.3525(2) 0.16269(19) 0.0318(9) Uani 1 1 d D U . . .
O1_15 O 0.0731(3) 0.1741(3) 0.3630(2) 0.0359(11) Uani 1 1 d D U . . .
C1_15 C 0.1169(3) 0.1254(3) 0.3846(3) 0.0249(12) Uani 1 1 d D U . . .
C2_15 C 0.1370(3) 0.1403(3) 0.4582(3) 0.0265(13) Uani 1 1 d D U . . .
F1_15 F 0.1923(2) 0.2013(2) 0.4670(2) 0.0437(10) Uani 1 1 d D U . . .
F2_15 F 0.1605(2) 0.0804(2) 0.48584(19) 0.0406(10) Uani 1 1 d D U . . .
F3_15 F 0.0770(2) 0.1527(2) 0.49137(18) 0.0372(9) Uani 1 1 d D U . . .
C3_15 C 0.0749(3) 0.0428(3) 0.3738(3) 0.0277(13) Uani 1 1 d D U . . .
F4_15 F 0.0361(3) 0.0356(3) 0.3178(2) 0.0444(12) Uani 1 1 d D U . . .
F5_15 F 0.0259(2) 0.0203(3) 0.4224(2) 0.0353(10) Uani 1 1 d D U . . .
F6_15 F 0.1233(2) -0.0058(2) 0.3734(2) 0.0379(11) Uani 1 1 d D U . . .
C4_15 C 0.1911(3) 0.1378(3) 0.3432(3) 0.0297(13) Uani 1 1 d D U . . .
F7_15 F 0.1793(2) 0.1060(2) 0.28454(17) 0.0375(10) Uani 1 1 d D U . . .
F8_15 F 0.2459(2) 0.1080(3) 0.3739(2) 0.0427(11) Uani 1 1 d D U . . .
F9_15 F 0.2185(3) 0.2123(2) 0.3358(2) 0.0496(12) Uani 1 1 d D U . . .
O1_14 O 0.4751(3) 0.2357(3) 0.72724(19) 0.0337(13) Uani 1 1 d D U . . .
C1_14 C 0.4778(3) 0.2534(3) 0.7933(2) 0.0205(11) Uani 1 1 d D U . . .
C2_14 C 0.4174(3) 0.3006(4) 0.8119(3) 0.0306(15) Uani 1 1 d D U . . .
F1_14 F 0.4381(3) 0.3722(3) 0.7911(2) 0.0518(12) Uani 1 1 d D U . . .
F2_14 F 0.4063(3) 0.3004(3) 0.8759(2) 0.0443(12) Uani 1 1 d D U . . .
F3_14 F 0.3507(2) 0.2707(3) 0.7827(2) 0.0482(12) Uani 1 1 d D U . . .
C3_14 C 0.4615(3) 0.1758(3) 0.8313(3) 0.0283(13) Uani 1 1 d D U . . .
F4_14 F 0.5001(2) 0.1270(2) 0.8057(2) 0.0463(11) Uani 1 1 d D U . . .
F5_14 F 0.3885(2) 0.1449(2) 0.8259(2) 0.0364(10) Uani 1 1 d D U . . .
F6_14 F 0.4810(3) 0.1857(3) 0.89384(19) 0.0530(12) Uani 1 1 d D U . . .
C4_14 C 0.5574(3) 0.2989(4) 0.8126(3) 0.0360(15) Uani 1 1 d D U . . .
F7_14 F 0.6084(2) 0.2544(3) 0.8070(3) 0.0668(16) Uani 1 1 d D U . . .
F8_14 F 0.5610(2) 0.3268(3) 0.87241(18) 0.0458(12) Uani 1 1 d D U . . .
F9_14 F 0.5788(3) 0.3555(3) 0.7706(2) 0.0604(15) Uani 1 1 d D U . . .
O1_13 O 0.5800(2) 0.2827(2) 0.63589(18) 0.0115(3) Uani 1 1 d D U . . .
C1_13 C 0.6386(3) 0.3163(3) 0.5961(3) 0.0176(12) Uani 1 1 d D U . . .
C2_13 C 0.6315(3) 0.3997(3) 0.5795(3) 0.0235(13) Uani 1 1 d D U . . .
F1_13 F 0.5815(2) 0.4016(2) 0.53215(19) 0.0284(9) Uani 1 1 d D U . . .
F2_13 F 0.6982(2) 0.4405(2) 0.5593(2) 0.0374(11) Uani 1 1 d D U . . .
F3_13 F 0.6104(2) 0.4352(2) 0.6313(2) 0.0299(9) Uani 1 1 d D U . . .
C3_13 C 0.7135(3) 0.3191(3) 0.6359(3) 0.0186(12) Uani 1 1 d D U . . .
F4_13 F 0.7157(2) 0.2523(2) 0.6645(2) 0.0290(9) Uani 1 1 d D U . . .
F5_13 F 0.7216(2) 0.3722(2) 0.68325(18) 0.0289(9) Uani 1 1 d D U . . .
F6_13 F 0.7744(2) 0.3350(2) 0.59707(19) 0.0293(10) Uani 1 1 d D U . . .
C4_13 C 0.6381(3) 0.2705(3) 0.5313(3) 0.0212(12) Uani 1 1 d D U . . .
F7_13 F 0.6571(2) 0.2025(2) 0.54630(18) 0.0303(9) Uani 1 1 d D U . . .
F8_13 F 0.6859(2) 0.3035(2) 0.48790(17) 0.0306(9) Uani 1 1 d D U . . .
F9_13 F 0.5692(2) 0.2552(2) 0.50570(18) 0.0269(9) Uani 1 1 d D U . . .
O1_12 O 0.4955(2) 0.7889(3) 0.77750(19) 0.0275(10) Uani 1 1 d D U . . .
C1_12 C 0.4805(3) 0.7753(3) 0.7129(2) 0.0225(11) Uani 1 1 d D U . . .
C2_12 C 0.5548(4) 0.7712(4) 0.6759(3) 0.0453(17) Uani 1 1 d D U . . .
F1_12 F 0.5934(3) 0.8443(3) 0.6666(2) 0.0480(12) Uani 1 1 d D U . . .
F2_12 F 0.5410(3) 0.7357(3) 0.61709(18) 0.0500(12) Uani 1 1 d D U . . .
F3_12 F 0.5984(2) 0.7341(3) 0.7103(2) 0.0460(11) Uani 1 1 d D U . . .
C3_12 C 0.4249(4) 0.6967(4) 0.7043(3) 0.0408(15) Uani 1 1 d D U . . .
F4_12 F 0.3677(2) 0.6913(3) 0.74593(18) 0.0448(11) Uani 1 1 d D U . . .
F5_12 F 0.4646(3) 0.6397(3) 0.7131(2) 0.0560(12) Uani 1 1 d D U . . .
F6_12 F 0.3937(3) 0.6890(3) 0.6438(2) 0.0715(18) Uani 1 1 d D U . . .
C4_12 C 0.4438(4) 0.8392(4) 0.6846(3) 0.0396(16) Uani 1 1 d D U . . .
F7_12 F 0.3715(2) 0.8304(3) 0.7044(2) 0.0462(11) Uani 1 1 d D U . . .
F8_12 F 0.4458(3) 0.8400(3) 0.61802(18) 0.0537(14) Uani 1 1 d D U . . .
F9_12 F 0.4831(3) 0.9076(2) 0.7048(2) 0.0438(10) Uani 1 1 d D U . . .
O1_11 O 0.5837(2) 0.7791(2) 0.88752(18) 0.0130(8) Uani 1 1 d D U . . .
C1_11 C 0.6507(3) 0.8265(3) 0.9068(2) 0.0152(11) Uani 1 1 d D U . . .
C2_11 C 0.6991(4) 0.8488(4) 0.8448(3) 0.0421(16) Uani 1 1 d D U . . .
F1_11 F 0.7224(3) 0.7869(3) 0.8211(2) 0.0643(14) Uani 1 1 d D U . . .
F2_11 F 0.7617(2) 0.9019(3) 0.85805(18) 0.0509(12) Uani 1 1 d D U . . .
F3_11 F 0.6601(3) 0.8741(3) 0.7983(2) 0.0623(13) Uani 1 1 d D U . . .
C3_11 C 0.6382(3) 0.8982(3) 0.9431(3) 0.0347(14) Uani 1 1 d D U . . .
F4_11 F 0.5789(2) 0.8839(3) 0.9817(2) 0.0478(12) Uani 1 1 d D U . . .
F5_11 F 0.6240(3) 0.9502(2) 0.8990(2) 0.0580(13) Uani 1 1 d D U . . .
F6_11 F 0.6982(2) 0.9302(2) 0.97994(18) 0.0331(10) Uani 1 1 d D U . . .
C4_11 C 0.6942(3) 0.7812(4) 0.9544(3) 0.0427(16) Uani 1 1 d D U . . .
F7_11 F 0.6612(3) 0.7790(3) 1.0145(2) 0.0593(14) Uani 1 1 d D U . . .
F8_11 F 0.7676(2) 0.8141(3) 0.9604(2) 0.0492(12) Uani 1 1 d D U . . .
F9_11 F 0.6909(3) 0.7111(3) 0.9337(3) 0.0655(15) Uani 1 1 d D U . . .
O1_10 O 0.4330(2) 0.8183(2) 0.90206(19) 0.0213(8) Uani 1 1 d D U . . .
C1_10 C 0.3835(3) 0.8669(3) 0.9137(2) 0.0156(10) Uani 1 1 d D U . . .
C2_10 C 0.3021(3) 0.8295(3) 0.8912(3) 0.0205(12) Uani 1 1 d D U . . .
F1_10 F 0.3019(2) 0.7936(2) 0.83373(18) 0.0329(9) Uani 1 1 d D U . . .
F2_10 F 0.2580(2) 0.8815(2) 0.8837(2) 0.0379(11) Uani 1 1 d D U . . .
F3_10 F 0.2677(2) 0.7793(2) 0.93465(18) 0.0273(8) Uani 1 1 d D U . . .
C3_10 C 0.3846(3) 0.8834(3) 0.9882(2) 0.0212(11) Uani 1 1 d D U . . .
F4_10 F 0.4468(2) 0.9348(2) 1.00642(19) 0.0348(9) Uani 1 1 d D U . . .
F5_10 F 0.3841(2) 0.8207(2) 1.02308(19) 0.0323(9) Uani 1 1 d D U . . .
F6_10 F 0.3250(2) 0.9116(2) 1.00609(18) 0.0307(9) Uani 1 1 d D U . . .
C4_10 C 0.4079(3) 0.9438(3) 0.8756(3) 0.0243(12) Uani 1 1 d D U . . .
F7_10 F 0.4835(2) 0.9646(2) 0.8768(2) 0.0424(10) Uani 1 1 d D U . . .
F8_10 F 0.3788(2) 0.9994(2) 0.9006(2) 0.0391(11) Uani 1 1 d D U . . .
F9_10 F 0.3867(3) 0.9351(2) 0.81262(19) 0.0397(10) Uani 1 1 d D U . . .
O1_9 O 0.4638(3) 0.6692(2) 0.8670(2) 0.0193(8) Uani 1 1 d D U . . .
C1_9 C 0.4317(3) 0.6124(3) 0.9084(3) 0.0164(12) Uani 1 1 d D U . . .
C2_9 C 0.3507(3) 0.6211(3) 0.9313(3) 0.0227(13) Uani 1 1 d D U . . .
F1_9 F 0.3556(2) 0.6736(2) 0.97894(18) 0.0249(9) Uani 1 1 d D U . . .
F2_9 F 0.3111(2) 0.5562(2) 0.9543(2) 0.0342(10) Uani 1 1 d D U . . .
F3_9 F 0.3123(2) 0.6428(2) 0.8808(2) 0.0323(10) Uani 1 1 d D U . . .
C3_9 C 0.4237(3) 0.5353(3) 0.8713(3) 0.0222(13) Uani 1 1 d D U . . .
F4_9 F 0.4878(2) 0.5324(2) 0.83891(19) 0.0279(8) Uani 1 1 d D U . . .
F5_9 F 0.3693(2) 0.5281(2) 0.8261(2) 0.0313(9) Uani 1 1 d D U . . .
F6_9 F 0.4108(3) 0.4752(2) 0.91060(19) 0.0341(9) Uani 1 1 d D U . . .
C4_9 C 0.4831(3) 0.6132(3) 0.9710(3) 0.0200(12) Uani 1 1 d D U . . .
F7_9 F 0.5481(2) 0.5908(2) 0.95568(18) 0.0278(9) Uani 1 1 d D U . . .
F8_9 F 0.4502(2) 0.5678(2) 1.01882(18) 0.0301(9) Uani 1 1 d D U . . .
F9_9 F 0.5029(2) 0.6838(2) 0.99543(17) 0.0239(8) Uani 1 1 d D U . . .
O1_8 O 0.0595(2) 0.3129(3) 0.90124(19) 0.0259(10) Uani 1 1 d D U . . .
C1_8 C 0.1294(3) 0.3597(3) 0.9119(2) 0.0188(11) Uani 1 1 d D U . . .
C2_8 C 0.1399(3) 0.3771(3) 0.9866(3) 0.0283(13) Uani 1 1 d D U . . .
F1_8 F 0.0782(2) 0.3978(3) 1.01018(18) 0.0335(9) Uani 1 1 d D U . . .
F2_8 F 0.1992(2) 0.4337(2) 0.99883(18) 0.0330(9) Uani 1 1 d D U . . .
F3_8 F 0.1494(2) 0.3146(2) 1.01912(19) 0.0339(10) Uani 1 1 d D U . . .
C3_8 C 0.1917(3) 0.3168(4) 0.8889(3) 0.0304(14) Uani 1 1 d D U . . .
F4_8 F 0.1950(2) 0.3143(3) 0.82258(18) 0.0431(11) Uani 1 1 d D U . . .
F5_8 F 0.1771(3) 0.2442(2) 0.9095(2) 0.0463(10) Uani 1 1 d D U . . .
F6_8 F 0.2611(2) 0.3484(3) 0.9119(3) 0.0540(13) Uani 1 1 d D U . . .
C4_8 C 0.1361(3) 0.4351(3) 0.8736(3) 0.0251(13) Uani 1 1 d D U . . .
F7_8 F 0.1064(2) 0.4208(2) 0.81226(18) 0.0349(9) Uani 1 1 d D U . . .
F8_8 F 0.2088(2) 0.4697(2) 0.8654(2) 0.0427(11) Uani 1 1 d D U . . .
F9_8 F 0.1001(2) 0.4832(2) 0.90415(19) 0.0394(10) Uani 1 1 d D U . . .
O1_7 O -0.0270(2) 0.1705(2) 0.86773(18) 0.0154(8) Uani 1 1 d D U . . .
C1_7 C -0.0631(3) 0.1117(3) 0.9060(2) 0.0118(11) Uani 1 1 d D U . . .
C2_7 C -0.1473(3) 0.1181(3) 0.9199(3) 0.0227(12) Uani 1 1 d D U . . .
F1_7 F -0.1508(3) 0.1696(2) 0.9665(2) 0.0357(10) Uani 1 1 d D U . . .
F2_7 F -0.1875(2) 0.0510(2) 0.9393(2) 0.0397(11) Uani 1 1 d D U . . .
F3_7 F -0.1794(2) 0.1382(2) 0.8646(2) 0.0346(10) Uani 1 1 d D U . . .
C3_7 C -0.0627(3) 0.0349(3) 0.8704(3) 0.0190(12) Uani 1 1 d D U . . .
F4_7 F 0.0055(2) 0.0333(2) 0.8457(2) 0.0319(9) Uani 1 1 d D U . . .
F5_7 F -0.1111(2) 0.0256(2) 0.81999(18) 0.0295(9) Uani 1 1 d D U . . .
F6_7 F -0.0808(2) -0.0246(2) 0.90952(16) 0.0242(8) Uani 1 1 d D U . . .
C4_7 C -0.0180(3) 0.1167(3) 0.9721(2) 0.0200(12) Uani 1 1 d D U . . .
F7_7 F 0.0489(2) 0.0970(2) 0.96368(18) 0.0331(9) Uani 1 1 d D U . . .
F8_7 F -0.0556(3) 0.0688(2) 1.01805(17) 0.0339(10) Uani 1 1 d D U . . .
F9_7 F -0.0058(3) 0.1866(2) 0.99723(18) 0.0317(10) Uani 1 1 d D U . . .
O1_6 O 0.0230(2) 0.2661(2) 0.77224(18) 0.0167(9) Uani 1 1 d D U . . .
C1_6 C 0.0046(3) 0.2616(3) 0.7063(2) 0.0199(11) Uani 1 1 d D U . . .
C2_6 C -0.0409(3) 0.3244(3) 0.6874(3) 0.0284(14) Uani 1 1 d D U . . .
F1_6 F -0.1129(2) 0.3049(3) 0.70475(19) 0.0365(10) Uani 1 1 d D U . . .
F2_6 F -0.0393(3) 0.3353(2) 0.62131(18) 0.0423(12) Uani 1 1 d D U . . .
F3_6 F -0.0113(3) 0.3903(2) 0.71500(19) 0.0365(10) Uani 1 1 d D U . . .
C3_6 C 0.0797(4) 0.2737(4) 0.6678(3) 0.0348(15) Uani 1 1 d D U . . .
F4_6 F 0.1291(2) 0.2354(3) 0.6955(2) 0.0402(10) Uani 1 1 d D U . . .
F5_6 F 0.1135(3) 0.3476(2) 0.6693(2) 0.0446(11) Uani 1 1 d D U . . .
F6_6 F 0.0705(3) 0.2524(3) 0.60505(17) 0.0493(13) Uani 1 1 d D U . . .
C4_6 C -0.0433(3) 0.1821(3) 0.6894(3) 0.0280(13) Uani 1 1 d D U . . .
F7_6 F 0.0007(3) 0.1286(2) 0.6951(2) 0.0447(11) Uani 1 1 d D U . . .
F8_6 F -0.0728(3) 0.1771(2) 0.62944(18) 0.0400(11) Uani 1 1 d D U . . .
F9_6 F -0.1006(2) 0.1640(3) 0.73115(18) 0.0402(11) Uani 1 1 d D U . . .
O1_5 O -0.0917(2) 0.3095(2) 0.8568(2) 0.0220(9) Uani 1 1 d D U . . .
C1_5 C -0.1348(3) 0.3597(3) 0.8808(2) 0.0178(11) Uani 1 1 d D U . . .
C2_5 C -0.1186(3) 0.3782(3) 0.9556(3) 0.0246(12) Uani 1 1 d D U . . .
F1_5 F -0.1074(2) 0.3167(2) 0.98723(19) 0.0361(10) Uani 1 1 d D U . . .
F2_5 F -0.1753(2) 0.4039(2) 0.98382(18) 0.0315(9) Uani 1 1 d D U . . .
F3_5 F -0.0564(2) 0.4331(2) 0.96290(19) 0.0317(9) Uani 1 1 d D U . . .
C3_5 C -0.1188(3) 0.4341(3) 0.8398(3) 0.0208(12) Uani 1 1 d D U . . .
F4_5 F -0.1519(2) 0.4259(2) 0.78071(19) 0.0308(9) Uani 1 1 d D U . . .
F5_5 F -0.04572(19) 0.4587(2) 0.8327(2) 0.0298(9) Uani 1 1 d D U . . .
F6_5 F -0.1460(2) 0.4899(2) 0.87139(19) 0.0292(9) Uani 1 1 d D U . . .
C4_5 C -0.2195(3) 0.3206(3) 0.8710(3) 0.0251(13) Uani 1 1 d D U . . .
F7_5 F -0.2304(2) 0.2846(2) 0.81321(18) 0.0300(9) Uani 1 1 d D U . . .
F8_5 F -0.2658(2) 0.3710(2) 0.8723(2) 0.0310(9) Uani 1 1 d D U . . .
F9_5 F -0.2418(2) 0.2697(2) 0.91711(19) 0.0285(9) Uani 1 1 d D U . . .
Ag01 Ag 0.09446(3) 0.15926(3) 0.81152(3) 0.02429(10) Uani 1 1 d . . . . .
C1 C 0.2140(4) 0.0351(5) 0.7965(3) 0.0279(15) Uani 1 1 d . . . . .
H1A H 0.2676 0.0511 0.7819 0.033 Uiso 1 1 calc R U . . .
H1B H 0.2033 -0.0211 0.8015 0.033 Uiso 1 1 calc R U . . .
Cl1 Cl -0.18476(12) 0.39726(12) 0.23959(9) 0.0412(5) Uani 1 1 d . . . . .
Al1 Al 0.48921(10) 0.76923(11) 0.85980(7) 0.0094(3) Uani 1 1 d . . . . .
Ag02 Ag 0.59708(3) 0.65627(3) 0.83072(3) 0.02454(10) Uani 1 1 d . . . . .
Al2 Al 0.48038(10) 0.26413(11) 0.64539(7) 0.0115(3) Uani 1 1 d . . . . .
C2 C 0.7065(5) 0.5314(5) 0.7869(3) 0.0346(19) Uani 1 1 d . . . . .
H2A H 0.6939 0.4778 0.7718 0.041 Uiso 1 1 calc R U . . .
H2B H 0.7624 0.5490 0.7838 0.041 Uiso 1 1 calc R U . . .
Cl2 Cl -0.19307(19) 0.44007(18) 0.37648(10) 0.0708(8) Uani 1 1 d . . . . .
Ag03 Ag 0.58744(4) 0.15602(4) 0.68524(4) 0.04270(19) Uani 1 1 d . . . . .
Al3 Al -0.01365(10) 0.26966(11) 0.85194(7) 0.0101(3) Uani 1 1 d . . . . .
C3 C 0.7114(7) 0.0435(8) 0.7136(6) 0.090(4) Uani 1 1 d . . . . .
H3A H 0.7650 0.0635 0.7260 0.108 Uiso 1 1 calc R U . . .
H3B H 0.7026 -0.0128 0.7169 0.108 Uiso 1 1 calc R U . . .
Cl3 Cl 0.65970(16) 0.58879(16) 0.73689(9) 0.0653(7) Uani 1 1 d . . . . .
Ag04 Ag -0.09045(4) 0.34496(4) 0.31840(3) 0.03552(16) Uani 1 1 d . . . . .
Cl4 Cl 0.67675(12) 0.53783(12) 0.86903(10) 0.0480(6) Uani 1 1 d . . . . .
Al4 Al 0.01576(10) 0.23699(10) 0.35227(7) 0.0106(3) Uani 1 1 d . . . . .
C4 C -0.2217(5) 0.4558(5) 0.2980(4) 0.038(2) Uani 1 1 d . . . . .
H4A H -0.2039 0.5101 0.2864 0.046 Uiso 1 1 calc R U . . .
H4B H -0.2781 0.4447 0.2959 0.046 Uiso 1 1 calc R U . . .
Cl5 Cl 0.65206(16) 0.07731(17) 0.76938(11) 0.0711(8) Uani 1 1 d . . . . .
Cl7 Cl 0.20132(14) 0.07802(18) 0.87277(11) 0.0689(8) Uani 1 1 d . . . . .
Cl6 Cl 0.69821(19) 0.06763(17) 0.63463(11) 0.0741(9) Uani 1 1 d . . . . .
Cl8 Cl 0.15340(13) 0.06116(14) 0.73739(9) 0.0553(6) Uani 1 1 d . . . . .
O1_1 O 0.0292(5) 0.3304(5) 0.3874(6) 0.0140(18) Uani 0.559(5) 1 d D U P A 1
C1_1 C 0.0839(6) 0.3923(7) 0.4038(4) 0.0169(13) Uani 0.559(5) 1 d D U P A 1
C2_1 C 0.1165(5) 0.4315(5) 0.3395(4) 0.032(2) Uani 0.559(5) 1 d D U P A 1
F1_1 F 0.0612(9) 0.4564(11) 0.3060(6) 0.050(4) Uani 0.559(5) 1 d D U P A 1
F2_1 F 0.1406(6) 0.3822(5) 0.2989(4) 0.041(2) Uani 0.559(5) 1 d D U P A 1
F3_1 F 0.1752(4) 0.4884(4) 0.3501(3) 0.0350(15) Uani 0.559(5) 1 d D U P A 1
C3_1 C 0.1477(5) 0.3726(5) 0.4477(4) 0.0221(19) Uani 0.559(5) 1 d D U P A 1
F4_1 F 0.1179(6) 0.3235(6) 0.4924(5) 0.036(3) Uani 0.559(5) 1 d D U P A 1
F5_1 F 0.1974(5) 0.3437(6) 0.4116(5) 0.039(2) Uani 0.559(5) 1 d D U P A 1
F6_1 F 0.1879(5) 0.4338(4) 0.4785(5) 0.033(2) Uani 0.559(5) 1 d D U P A 1
C4_1 C 0.0428(5) 0.4473(5) 0.4433(5) 0.034(2) Uani 0.559(5) 1 d D U P A 1
F7_1 F 0.0286(5) 0.4205(5) 0.5031(4) 0.038(2) Uani 0.559(5) 1 d D U P A 1
F8_1 F 0.0820(5) 0.5186(4) 0.4483(5) 0.046(2) Uani 0.559(5) 1 d D U P A 1
F9_1 F -0.0217(5) 0.4541(7) 0.4147(5) 0.051(2) Uani 0.559(5) 1 d D U P A 1
O1_2 O 0.0527(6) 0.3205(7) 0.3952(8) 0.0140(18) Uani 0.441(5) 1 d D U P A 2
C1_2 C 0.1021(7) 0.3885(8) 0.4026(5) 0.0169(13) Uani 0.441(5) 1 d D U P A 2
C2_2 C 0.1763(6) 0.3914(6) 0.3620(5) 0.022(2) Uani 0.441(5) 1 d D U P A 2
F1_2 F 0.2243(6) 0.3573(7) 0.3944(5) 0.035(3) Uani 0.441(5) 1 d D U P A 2
F2_2 F 0.2104(6) 0.4623(5) 0.3529(5) 0.0350(15) Uani 0.441(5) 1 d D U P A 2
F3_2 F 0.1592(7) 0.3567(6) 0.3056(5) 0.025(2) Uani 0.441(5) 1 d D U P A 2
C3_2 C 0.0616(7) 0.4528(6) 0.3789(6) 0.036(3) Uani 0.441(5) 1 d D U P A 2
F4_2 F -0.0130(7) 0.4413(9) 0.3949(7) 0.051(2) Uani 0.441(5) 1 d D U P A 2
F5_2 F 0.0592(13) 0.4543(15) 0.3120(7) 0.054(5) Uani 0.441(5) 1 d D U P A 2
F6_2 F 0.0959(6) 0.5213(5) 0.3999(6) 0.047(3) Uani 0.441(5) 1 d D U P A 2
C4_2 C 0.1197(6) 0.3988(6) 0.4768(5) 0.026(2) Uani 0.441(5) 1 d D U P A 2
F7_2 F 0.0617(6) 0.4122(7) 0.5116(5) 0.032(2) Uani 0.441(5) 1 d D U P A 2
F8_2 F 0.1743(6) 0.4596(6) 0.4863(5) 0.023(2) Uani 0.441(5) 1 d D U P A 2
F9_2 F 0.1429(7) 0.3386(7) 0.5018(7) 0.035(3) Uani 0.441(5) 1 d D U P A 2
O1_3 O 0.4690(5) 0.1682(5) 0.6102(5) 0.0185(14) Uani 0.464(5) 1 d D U P B 1
C1_3 C 0.4167(6) 0.1059(7) 0.5881(5) 0.0173(14) Uani 0.464(5) 1 d D U P B 1
C2_3 C 0.3670(6) 0.0732(5) 0.6469(5) 0.027(2) Uani 0.464(5) 1 d D U P B 1
F1_3 F 0.3096(6) 0.0179(6) 0.6283(6) 0.058(3) Uani 0.464(5) 1 d D U P B 1
F2_3 F 0.3417(7) 0.1256(7) 0.6801(6) 0.038(3) Uani 0.464(5) 1 d D U P B 1
F3_3 F 0.4068(7) 0.0404(9) 0.6891(6) 0.049(4) Uani 0.464(5) 1 d D U P B 1
C3_3 C 0.4621(6) 0.0475(5) 0.5596(5) 0.027(2) Uani 0.464(5) 1 d D U P B 1
F4_3 F 0.5162(6) 0.0360(6) 0.6022(6) 0.050(3) Uani 0.464(5) 1 d D U P B 1
F5_3 F 0.4194(5) -0.0199(4) 0.5487(5) 0.039(2) Uani 0.464(5) 1 d D U P B 1
F6_3 F 0.4961(5) 0.0704(5) 0.5039(4) 0.043(2) Uani 0.464(5) 1 d D U P B 1
C4_3 C 0.3681(6) 0.1284(7) 0.5310(5) 0.033(3) Uani 0.464(5) 1 d D U P B 1
F7_3 F 0.3139(5) 0.1614(5) 0.5549(4) 0.040(2) Uani 0.464(5) 1 d D U P B 1
F8_3 F 0.4101(6) 0.1790(5) 0.4911(5) 0.046(3) Uani 0.464(5) 1 d D U P B 1
F9_3 F 0.3334(10) 0.0698(7) 0.4923(7) 0.038(3) Uani 0.464(5) 1 d D U P B 1
O1_4 O 0.4400(4) 0.1890(4) 0.5987(4) 0.0185(14) Uani 0.536(5) 1 d D U P B 2
C1_4 C 0.3938(6) 0.1199(6) 0.5881(4) 0.0173(14) Uani 0.536(5) 1 d D U P B 2
C2_4 C 0.3168(5) 0.1157(5) 0.6228(4) 0.019(2) Uani 0.536(5) 1 d D U P B 2
F1_4 F 0.3255(6) 0.1471(5) 0.6815(4) 0.0215(18) Uani 0.536(5) 1 d D U P B 2
F2_4 F 0.2797(5) 0.0450(4) 0.6270(4) 0.0329(19) Uani 0.536(5) 1 d D U P B 2
F3_4 F 0.2715(4) 0.1538(4) 0.5886(4) 0.0331(17) Uani 0.536(5) 1 d D U P B 2
C3_4 C 0.3815(6) 0.1092(5) 0.5127(4) 0.021(2) Uani 0.536(5) 1 d D U P B 2
F4_4 F 0.4450(4) 0.0946(4) 0.4857(4) 0.0372(19) Uani 0.536(5) 1 d D U P B 2
F5_4 F 0.3649(6) 0.1690(4) 0.4840(4) 0.0334(19) Uani 0.536(5) 1 d D U P B 2
F6_4 F 0.3271(7) 0.0471(6) 0.5017(7) 0.033(3) Uani 0.536(5) 1 d D U P B 2
C4_4 C 0.4321(6) 0.0557(5) 0.6150(4) 0.031(2) Uani 0.536(5) 1 d D U P B 2
F7_4 F 0.5076(5) 0.0686(6) 0.6002(5) 0.050(3) Uani 0.536(5) 1 d D U P B 2
F8_4 F 0.4009(5) -0.0132(4) 0.5923(4) 0.0380(18) Uani 0.536(5) 1 d D U P B 2
F9_4 F 0.4309(7) 0.0564(7) 0.6801(4) 0.041(3) Uani 0.536(5) 1 d D U P B 2
O1_18 O 0.4385(4) 0.3421(4) 0.6354(4) 0.0214(16) Uani 0.630(10) 1 d D U P B 1
C1_18 C 0.3912(6) 0.3865(6) 0.6104(5) 0.0175(14) Uani 0.630(10) 1 d D U P B 1
C2_18 C 0.3754(6) 0.3687(6) 0.5363(5) 0.023(2) Uani 0.630(10) 1 d D U P B 1
F1_18 F 0.4371(4) 0.3515(5) 0.5059(4) 0.0241(18) Uani 0.630(10) 1 d D U P B 1
F2_18 F 0.3214(5) 0.3055(5) 0.5276(4) 0.032(2) Uani 0.630(10) 1 d D U P B 1
F3_18 F 0.3542(8) 0.4233(6) 0.4983(6) 0.0289(18) Uani 0.630(10) 1 d D U P B 1
C3_18 C 0.3134(5) 0.3722(5) 0.6465(5) 0.024(2) Uani 0.630(10) 1 d D U P B 1
F4_18 F 0.2896(5) 0.2978(4) 0.6566(5) 0.0319(18) Uani 0.630(10) 1 d D U P B 1
F5_18 F 0.2610(7) 0.4006(6) 0.6129(6) 0.029(2) Uani 0.630(10) 1 d D U P B 1
F6_18 F 0.3219(5) 0.4049(4) 0.7055(4) 0.0272(16) Uani 0.630(10) 1 d D U P B 1
C4_18 C 0.4290(6) 0.4717(5) 0.6182(5) 0.022(2) Uani 0.630(10) 1 d D U P B 1
F7_18 F 0.3784(6) 0.5177(6) 0.6104(5) 0.0306(18) Uani 0.630(10) 1 d D U P B 1
F8_18 F 0.4812(9) 0.4929(10) 0.5719(7) 0.030(3) Uani 0.630(10) 1 d D U P B 1
F9_18 F 0.4622(5) 0.4837(5) 0.6774(4) 0.0288(18) Uani 0.630(10) 1 d D U P B 1
O1_19 O 0.4320(8) 0.3214(8) 0.6069(7) 0.0214(16) Uani 0.370(10) 1 d D U P B 2
C1_19 C 0.3871(9) 0.3731(9) 0.5948(7) 0.0175(14) Uani 0.370(10) 1 d D U P B 2
C2_19 C 0.3706(9) 0.3718(9) 0.5198(7) 0.024(3) Uani 0.370(10) 1 d D U P B 2
F1_19 F 0.4332(8) 0.3699(9) 0.4861(7) 0.026(3) Uani 0.370(10) 1 d D U P B 2
F2_19 F 0.3426(14) 0.4339(11) 0.5093(12) 0.0289(18) Uani 0.370(10) 1 d D U P B
2
F3_19 F 0.3216(9) 0.3090(8) 0.5008(7) 0.029(3) Uani 0.370(10) 1 d D U P B 2
C3_19 C 0.3110(8) 0.3475(9) 0.6326(8) 0.029(3) Uani 0.370(10) 1 d D U P B 2
F4_19 F 0.3157(9) 0.3704(10) 0.6956(7) 0.046(4) Uani 0.370(10) 1 d D U P B 2
F5_19 F 0.2883(8) 0.2724(8) 0.6325(8) 0.038(3) Uani 0.370(10) 1 d D U P B 2
F6_19 F 0.2556(11) 0.3757(11) 0.6033(11) 0.037(5) Uani 0.370(10) 1 d D U P B 2
C4_19 C 0.4256(10) 0.4532(8) 0.6195(8) 0.020(3) Uani 0.370(10) 1 d D U P B 2
F7_19 F 0.4623(9) 0.4512(9) 0.6778(6) 0.031(3) Uani 0.370(10) 1 d D U P B 2
F8_19 F 0.3766(12) 0.5015(11) 0.6264(10) 0.0306(18) Uani 0.370(10) 1 d D U P B
2
F9_19 F 0.4811(13) 0.4851(17) 0.5787(10) 0.025(4) Uani 0.370(10) 1 d D U P B 2


_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 1.354(7) . ?
O1_17 Al4 1.720(4) . ?
C1_17 C3_17 1.555(7) . ?
C1_17 C4_17 1.559(6) . ?
C1_17 C2_17 1.561(6) . ?
C2_17 F2_17 1.318(6) . ?
C2_17 F3_17 1.334(6) . ?
C2_17 F1_17 1.350(6) . ?
C3_17 F4_17 1.323(6) . ?
C3_17 F5_17 1.328(7) . ?
C3_17 F6_17 1.334(7) . ?
C4_17 F8_17 1.306(6) . ?
C4_17 F7_17 1.333(6) . ?
C4_17 F9_17 1.337(6) . ?
O1_16 C1_16 1.374(6) . ?
O1_16 Al4 1.747(4) . ?
C1_16 C2_16 1.537(6) . ?
C1_16 C4_16 1.549(6) . ?
C1_16 C3_16 1.565(7) . ?
C2_16 F3_16 1.321(7) . ?
C2_16 F2_16 1.333(6) . ?
C2_16 F1_16 1.336(6) . ?
C3_16 F5_16 1.312(7) . ?
C3_16 F6_16 1.328(7) . ?
C3_16 F4_16 1.337(7) . ?
C4_16 F8_16 1.321(7) . ?
C4_16 F7_16 1.328(6) . ?
C4_16 F9_16 1.330(7) . ?
O1_15 C1_15 1.352(6) . ?
O1_15 Al4 1.676(4) . ?
C1_15 C3_15 1.539(7) . ?
C1_15 C2_15 1.545(7) . ?
C1_15 C4_15 1.548(7) . ?
C2_15 F3_15 1.320(6) . ?
C2_15 F1_15 1.335(7) . ?
C2_15 F2_15 1.347(6) . ?
C3_15 F4_15 1.322(7) . ?
C3_15 F5_15 1.329(6) . ?
C3_15 F6_15 1.339(7) . ?
C4_15 F7_15 1.318(7) . ?
C4_15 F9_15 1.337(7) . ?
C4_15 F8_15 1.355(7) . ?
O1_14 C1_14 1.374(6) . ?
O1_14 Al2 1.732(4) . ?
C1_14 C2_14 1.542(6) . ?
C1_14 C4_14 1.547(7) . ?
C1_14 C3_14 1.565(7) . ?
C2_14 F2_14 1.312(7) . ?
C2_14 F1_14 1.331(7) . ?
C2_14 F3_14 1.347(7) . ?
C3_14 F6_14 1.317(7) . ?
C3_14 F4_14 1.319(7) . ?
C3_14 F5_14 1.320(7) . ?
C4_14 F8_14 1.308(7) . ?
C4_14 F9_14 1.322(7) . ?
C4_14 F7_14 1.326(7) . ?
O1_13 C1_13 1.367(7) . ?
O1_13 Al2 1.760(4) . ?
O1_13 Ag03 2.504(4) . ?
C1_13 C4_13 1.547(6) . ?
C1_13 C3_13 1.555(6) . ?
C1_13 C2_13 1.558(6) . ?
C2_13 F1_13 1.316(6) . ?
C2_13 F3_13 1.319(7) . ?
C2_13 F2_13 1.337(6) . ?
C3_13 F6_13 1.329(6) . ?
C3_13 F4_13 1.335(6) . ?
C3_13 F5_13 1.338(6) . ?
C4_13 F8_13 1.288(6) . ?
C4_13 F9_13 1.317(6) . ?
C4_13 F7_13 1.358(6) . ?
O1_12 C1_12 1.349(6) . ?
O1_12 Al1 1.704(4) . ?
C1_12 C4_12 1.534(7) . ?
C1_12 C2_12 1.541(7) . ?
C1_12 C3_12 1.567(7) . ?
C2_12 F3_12 1.318(7) . ?
C2_12 F2_12 1.350(7) . ?
C2_12 F1_12 1.369(8) . ?
C3_12 F4_12 1.316(7) . ?
C3_12 F6_12 1.343(7) . ?
C3_12 F5_12 1.361(7) . ?
C4_12 F7_12 1.334(7) . ?
C4_12 F8_12 1.349(7) . ?
C4_12 F9_12 1.352(7) . ?
O1_11 C1_11 1.384(7) . ?
O1_11 Al1 1.757(4) . ?
O1_11 Ag02 2.532(4) . ?
C1_11 C3_11 1.531(6) . ?
C1_11 C2_11 1.534(7) . ?
C1_11 C4_11 1.561(7) . ?
C2_11 F3_11 1.304(7) . ?
C2_11 F1_11 1.345(8) . ?
C2_11 F2_11 1.349(7) . ?
C3_11 F4_11 1.303(7) . ?
C3_11 F6_11 1.342(7) . ?
C3_11 F5_11 1.349(7) . ?
C4_11 F9_11 1.313(7) . ?
C4_11 F8_11 1.337(7) . ?
C4_11 F7_11 1.350(8) . ?
O1_10 C1_10 1.376(6) . ?
O1_10 Al1 1.690(4) . ?
C1_10 C3_10 1.538(6) . ?
C1_10 C2_10 1.549(6) . ?
C1_10 C4_10 1.564(6) . ?
C2_10 F3_10 1.321(6) . ?
C2_10 F1_10 1.329(6) . ?
C2_10 F2_10 1.340(6) . ?
C3_10 F6_10 1.314(6) . ?
C3_10 F5_10 1.323(6) . ?
C3_10 F4_10 1.351(6) . ?
C4_10 F8_10 1.311(6) . ?
C4_10 F9_10 1.332(6) . ?
C4_10 F7_10 1.333(6) . ?
O1_9 C1_9 1.356(7) . ?
O1_9 Al1 1.765(5) . ?
O1_9 Ag02 2.547(4) . ?
C1_9 C3_9 1.551(6) . ?
C1_9 C2_9 1.558(6) . ?
C1_9 C4_9 1.566(6) . ?
C2_9 F2_9 1.321(6) . ?
C2_9 F3_9 1.331(7) . ?
C2_9 F1_9 1.337(6) . ?
C3_9 F6_9 1.322(6) . ?
C3_9 F5_9 1.325(7) . ?
C3_9 F4_9 1.332(6) . ?
C4_9 F8_9 1.328(6) . ?
C4_9 F7_9 1.337(6) . ?
C4_9 F9_9 1.339(6) . ?
O1_8 C1_8 1.381(7) . ?
O1_8 Al3 1.708(4) . ?
C1_8 C4_8 1.540(6) . ?
C1_8 C3_8 1.541(6) . ?
C1_8 C2_8 1.549(6) . ?
C2_8 F1_8 1.319(6) . ?
C2_8 F3_8 1.337(7) . ?
C2_8 F2_8 1.341(6) . ?
C3_8 F5_8 1.342(7) . ?
C3_8 F6_8 1.345(7) . ?
C3_8 F4_8 1.346(6) . ?
C4_8 F9_8 1.324(7) . ?
C4_8 F8_8 1.337(6) . ?
C4_8 F7_8 1.356(6) . ?
O1_7 C1_7 1.365(7) . ?
O1_7 Al3 1.773(4) . ?
O1_7 Ag01 2.495(4) . ?
C1_7 C3_7 1.551(6) . ?
C1_7 C4_7 1.557(6) . ?
C1_7 C2_7 1.560(6) . ?
C2_7 F1_7 1.329(6) . ?
C2_7 F2_7 1.333(6) . ?
C2_7 F3_7 1.341(7) . ?
C3_7 F6_7 1.317(6) . ?
C3_7 F4_7 1.325(6) . ?
C3_7 F5_7 1.328(6) . ?
C4_7 F7_7 1.321(7) . ?
C4_7 F9_7 1.328(6) . ?
C4_7 F8_7 1.354(6) . ?
O1_6 C1_6 1.374(6) . ?
O1_6 Al3 1.749(4) . ?
C1_6 C3_6 1.534(7) . ?
C1_6 C4_6 1.550(7) . ?
C1_6 C2_6 1.558(6) . ?
C2_6 F1_6 1.315(7) . ?
C2_6 F3_6 1.319(7) . ?
C2_6 F2_6 1.353(6) . ?
C3_6 F6_6 1.328(7) . ?
C3_6 F4_6 1.342(7) . ?
C3_6 F5_6 1.345(7) . ?
C4_6 F9_6 1.320(7) . ?
C4_6 F8_6 1.321(6) . ?
C4_6 F7_6 1.357(7) . ?
O1_5 C1_5 1.379(6) . ?
O1_5 Al3 1.689(4) . ?
C1_5 C3_5 1.548(6) . ?
C1_5 C4_5 1.555(6) . ?
C1_5 C2_5 1.566(6) . ?
C2_5 F1_5 1.321(6) . ?
C2_5 F2_5 1.322(6) . ?
C2_5 F3_5 1.342(6) . ?
C3_5 F5_5 1.305(6) . ?
C3_5 F4_5 1.331(6) . ?
C3_5 F6_5 1.353(6) . ?
C4_5 F9_5 1.311(6) . ?
C4_5 F7_5 1.333(7) . ?
C4_5 F8_5 1.336(6) . ?
Ag01 Cl8 2.675(2) . ?
Ag01 Cl7 2.895(2) . ?
Ag01 Al3 3.1274(17) . ?
C1 Cl8 1.739(7) . ?
C1 Cl7 1.761(7) . ?
Cl1 C4 1.789(8) . ?
Cl1 Ag04 2.6234(18) . ?
Al1 Ag02 3.1072(17) . ?
Ag02 Cl3 2.6165(18) . ?
Ag02 Cl4 2.8790(19) . ?
Al2 O1_19 1.658(11) . ?
Al2 O1_4 1.688(8) . ?
Al2 O1_18 1.718(7) . ?
Al2 O1_3 1.831(9) . ?
Al2 Ag03 3.0802(17) . ?
C2 Cl4 1.757(7) . ?
C2 Cl3 1.766(7) . ?
Cl2 C4 1.712(7) . ?
Ag03 F7_4 2.567(10) . ?
Ag03 Cl5 2.618(2) . ?
C3 Cl6 1.686(11) . ?
C3 Cl5 1.737(10) . ?
Ag04 F4_2 2.524(13) . ?
Ag04 Al4 3.0376(16) . ?
Al4 O1_2 1.744(13) . ?
Al4 O1_1 1.790(10) . ?
O1_1 C1_1 1.369(14) . ?
C1_1 C2_1 1.539(9) . ?
C1_1 C3_1 1.542(9) . ?
C1_1 C4_1 1.558(9) . ?
C2_1 F3_1 1.331(9) . ?
C2_1 F2_1 1.337(10) . ?
C2_1 F1_1 1.344(12) . ?
C3_1 F4_1 1.302(10) . ?
C3_1 F5_1 1.330(10) . ?
C3_1 F6_1 1.342(10) . ?
C4_1 F7_1 1.308(10) . ?
C4_1 F9_1 1.318(11) . ?
C4_1 F8_1 1.336(10) . ?
O1_2 C1_2 1.367(18) . ?
C1_2 C4_2 1.540(10) . ?
C1_2 C3_2 1.550(10) . ?
C1_2 C2_2 1.554(9) . ?
C2_2 F3_2 1.307(11) . ?
C2_2 F2_2 1.310(10) . ?
C2_2 F1_2 1.321(11) . ?
C3_2 F6_2 1.328(11) . ?
C3_2 F4_2 1.350(12) . ?
C3_2 F5_2 1.358(13) . ?
C4_2 F7_2 1.313(11) . ?
C4_2 F9_2 1.326(11) . ?
C4_2 F8_2 1.328(11) . ?
O1_3 C1_3 1.384(15) . ?
C1_3 C2_3 1.533(9) . ?
C1_3 C4_3 1.547(9) . ?
C1_3 C3_3 1.552(9) . ?
C2_3 F2_3 1.303(11) . ?
C2_3 F3_3 1.321(12) . ?
C2_3 F1_3 1.336(11) . ?
C3_3 F6_3 1.310(10) . ?
C3_3 F5_3 1.316(10) . ?
C3_3 F4_3 1.343(11) . ?
C4_3 F7_3 1.320(11) . ?
C4_3 F8_3 1.333(11) . ?
C4_3 F9_3 1.358(11) . ?
O1_4 C1_4 1.364(13) . ?
C1_4 C2_4 1.536(9) . ?
C1_4 C4_4 1.546(9) . ?
C1_4 C3_4 1.550(9) . ?
C2_4 F1_4 1.313(10) . ?
C2_4 F2_4 1.313(9) . ?
C2_4 F3_4 1.347(9) . ?
C3_4 F5_4 1.300(10) . ?
C3_4 F4_4 1.332(10) . ?
C3_4 F6_4 1.346(10) . ?
C4_4 F9_4 1.318(10) . ?
C4_4 F8_4 1.333(10) . ?
C4_4 F7_4 1.358(11) . ?
O1_18 C1_18 1.365(12) . ?
C1_18 C2_18 1.550(8) . ?
C1_18 C3_18 1.550(8) . ?
C1_18 C4_18 1.551(8) . ?
C2_18 F2_18 1.348(10) . ?
C2_18 F1_18 1.351(9) . ?
C2_18 F3_18 1.353(10) . ?
C3_18 F6_18 1.325(10) . ?
C3_18 F4_18 1.333(9) . ?
C3_18 F5_18 1.335(9) . ?
C4_18 F8_18 1.327(10) . ?
C4_18 F9_18 1.338(9) . ?
C4_18 F7_18 1.344(9) . ?
O1_19 C1_19 1.359(19) . ?
C1_19 C4_19 1.548(10) . ?
C1_19 C2_19 1.548(10) . ?
C1_19 C3_19 1.551(10) . ?
C2_19 F1_19 1.319(12) . ?
C2_19 F2_19 1.322(12) . ?
C2_19 F3_19 1.341(12) . ?
C3_19 F5_19 1.327(12) . ?
C3_19 F6_19 1.334(12) . ?
C3_19 F4_19 1.340(12) . ?
C4_19 F9_19 1.332(13) . ?
C4_19 F8_19 1.352(12) . ?
C4_19 F7_19 1.356(12) . ?

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 Al4 150.9(4) . . ?
O1_17 C1_17 C3_17 112.5(5) . . ?
O1_17 C1_17 C4_17 109.0(5) . . ?
C3_17 C1_17 C4_17 109.2(4) . . ?
O1_17 C1_17 C2_17 107.3(4) . . ?
C3_17 C1_17 C2_17 108.5(4) . . ?
C4_17 C1_17 C2_17 110.4(4) . . ?
F2_17 C2_17 F3_17 107.6(5) . . ?
F2_17 C2_17 F1_17 106.4(5) . . ?
F3_17 C2_17 F1_17 107.3(4) . . ?
F2_17 C2_17 C1_17 112.9(4) . . ?
F3_17 C2_17 C1_17 111.3(4) . . ?
F1_17 C2_17 C1_17 111.0(5) . . ?
F4_17 C3_17 F5_17 108.7(5) . . ?
F4_17 C3_17 F6_17 108.4(5) . . ?
F5_17 C3_17 F6_17 107.6(5) . . ?
F4_17 C3_17 C1_17 111.2(5) . . ?
F5_17 C3_17 C1_17 110.0(5) . . ?
F6_17 C3_17 C1_17 110.8(5) . . ?
F8_17 C4_17 F7_17 107.9(4) . . ?
F8_17 C4_17 F9_17 108.6(5) . . ?
F7_17 C4_17 F9_17 107.2(5) . . ?
F8_17 C4_17 C1_17 113.5(5) . . ?
F7_17 C4_17 C1_17 110.0(4) . . ?
F9_17 C4_17 C1_17 109.5(4) . . ?
C1_16 O1_16 Al4 147.2(4) . . ?
O1_16 C1_16 C2_16 111.5(4) . . ?
O1_16 C1_16 C4_16 107.7(4) . . ?
C2_16 C1_16 C4_16 109.5(4) . . ?
O1_16 C1_16 C3_16 109.5(4) . . ?
C2_16 C1_16 C3_16 109.5(5) . . ?
C4_16 C1_16 C3_16 109.2(4) . . ?
F3_16 C2_16 F2_16 107.0(5) . . ?
F3_16 C2_16 F1_16 108.6(4) . . ?
F2_16 C2_16 F1_16 108.4(5) . . ?
F3_16 C2_16 C1_16 110.8(5) . . ?
F2_16 C2_16 C1_16 112.4(4) . . ?
F1_16 C2_16 C1_16 109.5(4) . . ?
F5_16 C3_16 F6_16 108.7(5) . . ?
F5_16 C3_16 F4_16 107.6(5) . . ?
F6_16 C3_16 F4_16 108.3(5) . . ?
F5_16 C3_16 C1_16 109.5(5) . . ?
F6_16 C3_16 C1_16 113.2(5) . . ?
F4_16 C3_16 C1_16 109.3(5) . . ?
F8_16 C4_16 F7_16 107.8(5) . . ?
F8_16 C4_16 F9_16 110.3(5) . . ?
F7_16 C4_16 F9_16 105.3(5) . . ?
F8_16 C4_16 C1_16 111.6(5) . . ?
F7_16 C4_16 C1_16 111.9(5) . . ?
F9_16 C4_16 C1_16 109.7(5) . . ?
C1_15 O1_15 Al4 168.5(4) . . ?
O1_15 C1_15 C3_15 109.7(5) . . ?
O1_15 C1_15 C2_15 110.3(5) . . ?
C3_15 C1_15 C2_15 110.9(5) . . ?
O1_15 C1_15 C4_15 108.6(5) . . ?
C3_15 C1_15 C4_15 107.9(5) . . ?
C2_15 C1_15 C4_15 109.5(5) . . ?
F3_15 C2_15 F1_15 107.0(5) . . ?
F3_15 C2_15 F2_15 108.0(5) . . ?
F1_15 C2_15 F2_15 107.4(5) . . ?
F3_15 C2_15 C1_15 110.6(4) . . ?
F1_15 C2_15 C1_15 112.4(5) . . ?
F2_15 C2_15 C1_15 111.3(5) . . ?
F4_15 C3_15 F5_15 107.7(5) . . ?
F4_15 C3_15 F6_15 109.0(5) . . ?
F5_15 C3_15 F6_15 106.1(5) . . ?
F4_15 C3_15 C1_15 111.4(5) . . ?
F5_15 C3_15 C1_15 110.9(5) . . ?
F6_15 C3_15 C1_15 111.6(5) . . ?
F7_15 C4_15 F9_15 109.0(5) . . ?
F7_15 C4_15 F8_15 108.1(5) . . ?
F9_15 C4_15 F8_15 106.8(5) . . ?
F7_15 C4_15 C1_15 111.5(5) . . ?
F9_15 C4_15 C1_15 110.1(5) . . ?
F8_15 C4_15 C1_15 111.2(5) . . ?
C1_14 O1_14 Al2 150.3(4) . . ?
O1_14 C1_14 C2_14 111.4(5) . . ?
O1_14 C1_14 C4_14 110.8(4) . . ?
C2_14 C1_14 C4_14 108.7(5) . . ?
O1_14 C1_14 C3_14 106.5(5) . . ?
C2_14 C1_14 C3_14 109.6(4) . . ?
C4_14 C1_14 C3_14 109.8(5) . . ?
F2_14 C2_14 F1_14 109.3(5) . . ?
F2_14 C2_14 F3_14 108.1(5) . . ?
F1_14 C2_14 F3_14 107.6(5) . . ?
F2_14 C2_14 C1_14 111.2(5) . . ?
F1_14 C2_14 C1_14 110.8(5) . . ?
F3_14 C2_14 C1_14 109.7(5) . . ?
F6_14 C3_14 F4_14 108.0(5) . . ?
F6_14 C3_14 F5_14 110.6(5) . . ?
F4_14 C3_14 F5_14 107.0(5) . . ?
F6_14 C3_14 C1_14 110.8(5) . . ?
F4_14 C3_14 C1_14 111.1(5) . . ?
F5_14 C3_14 C1_14 109.3(4) . . ?
F8_14 C4_14 F9_14 108.6(5) . . ?
F8_14 C4_14 F7_14 108.6(6) . . ?
F9_14 C4_14 F7_14 105.9(5) . . ?
F8_14 C4_14 C1_14 114.0(5) . . ?
F9_14 C4_14 C1_14 110.0(5) . . ?
F7_14 C4_14 C1_14 109.3(5) . . ?
C1_13 O1_13 Al2 144.2(3) . . ?
C1_13 O1_13 Ag03 117.7(3) . . ?
Al2 O1_13 Ag03 90.80(16) . . ?
O1_13 C1_13 C4_13 110.0(5) . . ?
O1_13 C1_13 C3_13 106.9(4) . . ?
C4_13 C1_13 C3_13 111.9(4) . . ?
O1_13 C1_13 C2_13 110.6(4) . . ?
C4_13 C1_13 C2_13 109.3(4) . . ?
C3_13 C1_13 C2_13 108.1(4) . . ?
F1_13 C2_13 F3_13 108.0(5) . . ?
F1_13 C2_13 F2_13 107.6(5) . . ?
F3_13 C2_13 F2_13 106.8(5) . . ?
F1_13 C2_13 C1_13 111.4(5) . . ?
F3_13 C2_13 C1_13 111.8(5) . . ?
F2_13 C2_13 C1_13 111.1(5) . . ?
F6_13 C3_13 F4_13 106.6(4) . . ?
F6_13 C3_13 F5_13 107.5(5) . . ?
F4_13 C3_13 F5_13 107.7(5) . . ?
F6_13 C3_13 C1_13 111.4(4) . . ?
F4_13 C3_13 C1_13 111.8(4) . . ?
F5_13 C3_13 C1_13 111.6(4) . . ?
F8_13 C4_13 F9_13 109.7(4) . . ?
F8_13 C4_13 F7_13 107.8(5) . . ?
F9_13 C4_13 F7_13 106.7(5) . . ?
F8_13 C4_13 C1_13 113.6(5) . . ?
F9_13 C4_13 C1_13 110.7(5) . . ?
F7_13 C4_13 C1_13 107.9(4) . . ?
C1_12 O1_12 Al1 155.5(4) . . ?
O1_12 C1_12 C4_12 109.2(5) . . ?
O1_12 C1_12 C2_12 109.7(5) . . ?
C4_12 C1_12 C2_12 110.5(5) . . ?
O1_12 C1_12 C3_12 109.8(4) . . ?
C4_12 C1_12 C3_12 109.8(5) . . ?
C2_12 C1_12 C3_12 107.8(5) . . ?
F3_12 C2_12 F2_12 107.6(6) . . ?
F3_12 C2_12 F1_12 108.3(6) . . ?
F2_12 C2_12 F1_12 109.9(5) . . ?
F3_12 C2_12 C1_12 111.5(5) . . ?
F2_12 C2_12 C1_12 111.8(5) . . ?
F1_12 C2_12 C1_12 107.6(5) . . ?
F4_12 C3_12 F6_12 106.0(5) . . ?
F4_12 C3_12 F5_12 111.7(5) . . ?
F6_12 C3_12 F5_12 108.1(6) . . ?
F4_12 C3_12 C1_12 110.1(5) . . ?
F6_12 C3_12 C1_12 111.8(5) . . ?
F5_12 C3_12 C1_12 109.0(5) . . ?
F7_12 C4_12 F8_12 109.0(5) . . ?
F7_12 C4_12 F9_12 109.7(5) . . ?
F8_12 C4_12 F9_12 106.5(5) . . ?
F7_12 C4_12 C1_12 110.1(5) . . ?
F8_12 C4_12 C1_12 111.6(5) . . ?
F9_12 C4_12 C1_12 109.8(5) . . ?
C1_11 O1_11 Al1 148.7(4) . . ?
C1_11 O1_11 Ag02 116.3(3) . . ?
Al1 O1_11 Ag02 91.00(17) . . ?
O1_11 C1_11 C3_11 113.5(4) . . ?
O1_11 C1_11 C2_11 107.8(4) . . ?
C3_11 C1_11 C2_11 110.0(5) . . ?
O1_11 C1_11 C4_11 108.5(4) . . ?
C3_11 C1_11 C4_11 107.9(5) . . ?
C2_11 C1_11 C4_11 109.2(5) . . ?
F3_11 C2_11 F1_11 107.4(6) . . ?
F3_11 C2_11 F2_11 109.0(5) . . ?
F1_11 C2_11 F2_11 107.7(5) . . ?
F3_11 C2_11 C1_11 111.8(5) . . ?
F1_11 C2_11 C1_11 109.1(5) . . ?
F2_11 C2_11 C1_11 111.7(5) . . ?
F4_11 C3_11 F6_11 107.6(5) . . ?
F4_11 C3_11 F5_11 106.3(5) . . ?
F6_11 C3_11 F5_11 108.4(5) . . ?
F4_11 C3_11 C1_11 111.6(5) . . ?
F6_11 C3_11 C1_11 112.9(5) . . ?
F5_11 C3_11 C1_11 109.8(5) . . ?
F9_11 C4_11 F8_11 108.0(5) . . ?
F9_11 C4_11 F7_11 108.7(6) . . ?
F8_11 C4_11 F7_11 108.6(5) . . ?
F9_11 C4_11 C1_11 111.3(5) . . ?
F8_11 C4_11 C1_11 111.9(5) . . ?
F7_11 C4_11 C1_11 108.3(5) . . ?
C1_10 O1_10 Al1 159.3(3) . . ?
O1_10 C1_10 C3_10 107.6(4) . . ?
O1_10 C1_10 C2_10 110.0(4) . . ?
C3_10 C1_10 C2_10 110.4(4) . . ?
O1_10 C1_10 C4_10 111.5(4) . . ?
C3_10 C1_10 C4_10 109.0(4) . . ?
C2_10 C1_10 C4_10 108.3(4) . . ?
F3_10 C2_10 F1_10 107.4(4) . . ?
F3_10 C2_10 F2_10 106.8(5) . . ?
F1_10 C2_10 F2_10 106.7(4) . . ?
F3_10 C2_10 C1_10 111.9(4) . . ?
F1_10 C2_10 C1_10 112.4(4) . . ?
F2_10 C2_10 C1_10 111.3(4) . . ?
F6_10 C3_10 F5_10 107.8(5) . . ?
F6_10 C3_10 F4_10 106.6(4) . . ?
F5_10 C3_10 F4_10 107.5(4) . . ?
F6_10 C3_10 C1_10 111.2(4) . . ?
F5_10 C3_10 C1_10 111.4(4) . . ?
F4_10 C3_10 C1_10 112.1(4) . . ?
F8_10 C4_10 F9_10 108.3(5) . . ?
F8_10 C4_10 F7_10 108.1(5) . . ?
F9_10 C4_10 F7_10 107.5(5) . . ?
F8_10 C4_10 C1_10 113.1(4) . . ?
F9_10 C4_10 C1_10 110.3(4) . . ?
F7_10 C4_10 C1_10 109.5(4) . . ?
C1_9 O1_9 Al1 143.1(4) . . ?
C1_9 O1_9 Ag02 112.3(3) . . ?
Al1 O1_9 Ag02 90.33(18) . . ?
O1_9 C1_9 C3_9 108.7(4) . . ?
O1_9 C1_9 C2_9 112.2(5) . . ?
C3_9 C1_9 C2_9 107.7(4) . . ?
O1_9 C1_9 C4_9 109.3(4) . . ?
C3_9 C1_9 C4_9 110.7(5) . . ?
C2_9 C1_9 C4_9 108.3(4) . . ?
F2_9 C2_9 F3_9 107.9(5) . . ?
F2_9 C2_9 F1_9 108.3(5) . . ?
F3_9 C2_9 F1_9 108.5(5) . . ?
F2_9 C2_9 C1_9 111.7(5) . . ?
F3_9 C2_9 C1_9 110.0(5) . . ?
F1_9 C2_9 C1_9 110.4(5) . . ?
F6_9 C3_9 F5_9 109.2(5) . . ?
F6_9 C3_9 F4_9 106.4(5) . . ?
F5_9 C3_9 F4_9 106.0(5) . . ?
F6_9 C3_9 C1_9 113.8(5) . . ?
F5_9 C3_9 C1_9 111.2(5) . . ?
F4_9 C3_9 C1_9 109.9(4) . . ?
F8_9 C4_9 F7_9 107.1(4) . . ?
F8_9 C4_9 F9_9 108.1(5) . . ?
F7_9 C4_9 F9_9 106.3(5) . . ?
F8_9 C4_9 C1_9 113.3(5) . . ?
F7_9 C4_9 C1_9 110.7(4) . . ?
F9_9 C4_9 C1_9 110.9(4) . . ?
C1_8 O1_8 Al3 152.9(4) . . ?
O1_8 C1_8 C4_8 111.1(4) . . ?
O1_8 C1_8 C3_8 107.9(5) . . ?
C4_8 C1_8 C3_8 110.0(4) . . ?
O1_8 C1_8 C2_8 109.5(4) . . ?
C4_8 C1_8 C2_8 109.3(5) . . ?
C3_8 C1_8 C2_8 109.0(4) . . ?
F1_8 C2_8 F3_8 107.7(5) . . ?
F1_8 C2_8 F2_8 107.7(5) . . ?
F3_8 C2_8 F2_8 109.3(5) . . ?
F1_8 C2_8 C1_8 109.6(5) . . ?
F3_8 C2_8 C1_8 110.1(5) . . ?
F2_8 C2_8 C1_8 112.3(5) . . ?
F5_8 C3_8 F6_8 106.8(5) . . ?
F5_8 C3_8 F4_8 106.4(5) . . ?
F6_8 C3_8 F4_8 108.5(5) . . ?
F5_8 C3_8 C1_8 111.4(5) . . ?
F6_8 C3_8 C1_8 112.5(5) . . ?
F4_8 C3_8 C1_8 111.0(5) . . ?
F9_8 C4_8 F8_8 107.9(5) . . ?
F9_8 C4_8 F7_8 109.2(5) . . ?
F8_8 C4_8 F7_8 106.5(5) . . ?
F9_8 C4_8 C1_8 111.6(5) . . ?
F8_8 C4_8 C1_8 111.8(5) . . ?
F7_8 C4_8 C1_8 109.6(5) . . ?
C1_7 O1_7 Al3 145.7(4) . . ?
C1_7 O1_7 Ag01 119.1(3) . . ?
Al3 O1_7 Ag01 92.66(16) . . ?
O1_7 C1_7 C3_7 109.6(4) . . ?
O1_7 C1_7 C4_7 106.4(4) . . ?
C3_7 C1_7 C4_7 111.1(4) . . ?
O1_7 C1_7 C2_7 111.5(4) . . ?
C3_7 C1_7 C2_7 108.5(4) . . ?
C4_7 C1_7 C2_7 109.7(4) . . ?
F1_7 C2_7 F2_7 109.0(5) . . ?
F1_7 C2_7 F3_7 109.1(5) . . ?
F2_7 C2_7 F3_7 107.8(5) . . ?
F1_7 C2_7 C1_7 110.8(5) . . ?
F2_7 C2_7 C1_7 110.4(4) . . ?
F3_7 C2_7 C1_7 109.7(4) . . ?
F6_7 C3_7 F4_7 107.1(4) . . ?
F6_7 C3_7 F5_7 108.0(5) . . ?
F4_7 C3_7 F5_7 106.7(4) . . ?
F6_7 C3_7 C1_7 113.2(4) . . ?
F4_7 C3_7 C1_7 110.8(4) . . ?
F5_7 C3_7 C1_7 110.8(4) . . ?
F7_7 C4_7 F9_7 107.9(5) . . ?
F7_7 C4_7 F8_7 106.5(4) . . ?
F9_7 C4_7 F8_7 107.6(4) . . ?
F7_7 C4_7 C1_7 111.1(4) . . ?
F9_7 C4_7 C1_7 111.9(4) . . ?
F8_7 C4_7 C1_7 111.5(5) . . ?
C1_6 O1_6 Al3 144.3(4) . . ?
O1_6 C1_6 C3_6 107.0(4) . . ?
O1_6 C1_6 C4_6 110.7(4) . . ?
C3_6 C1_6 C4_6 109.3(5) . . ?
O1_6 C1_6 C2_6 110.5(4) . . ?
C3_6 C1_6 C2_6 109.8(5) . . ?
C4_6 C1_6 C2_6 109.5(5) . . ?
F1_6 C2_6 F3_6 109.1(5) . . ?
F1_6 C2_6 F2_6 107.2(5) . . ?
F3_6 C2_6 F2_6 107.3(5) . . ?
F1_6 C2_6 C1_6 111.3(5) . . ?
F3_6 C2_6 C1_6 111.3(5) . . ?
F2_6 C2_6 C1_6 110.4(5) . . ?
F6_6 C3_6 F4_6 108.2(5) . . ?
F6_6 C3_6 F5_6 108.1(5) . . ?
F4_6 C3_6 F5_6 106.1(5) . . ?
F6_6 C3_6 C1_6 113.0(5) . . ?
F4_6 C3_6 C1_6 111.1(5) . . ?
F5_6 C3_6 C1_6 110.0(5) . . ?
F9_6 C4_6 F8_6 107.0(5) . . ?
F9_6 C4_6 F7_6 107.6(5) . . ?
F8_6 C4_6 F7_6 108.0(5) . . ?
F9_6 C4_6 C1_6 110.4(5) . . ?
F8_6 C4_6 C1_6 114.1(5) . . ?
F7_6 C4_6 C1_6 109.6(5) . . ?
C1_5 O1_5 Al3 155.0(4) . . ?
O1_5 C1_5 C3_5 109.6(4) . . ?
O1_5 C1_5 C4_5 106.3(4) . . ?
C3_5 C1_5 C4_5 108.7(4) . . ?
O1_5 C1_5 C2_5 112.0(4) . . ?
C3_5 C1_5 C2_5 110.0(4) . . ?
C4_5 C1_5 C2_5 110.1(4) . . ?
F1_5 C2_5 F2_5 109.2(5) . . ?
F1_5 C2_5 F3_5 108.6(5) . . ?
F2_5 C2_5 F3_5 106.3(5) . . ?
F1_5 C2_5 C1_5 110.2(5) . . ?
F2_5 C2_5 C1_5 111.6(4) . . ?
F3_5 C2_5 C1_5 110.7(4) . . ?
F5_5 C3_5 F4_5 109.4(5) . . ?
F5_5 C3_5 F6_5 106.4(4) . . ?
F4_5 C3_5 F6_5 106.9(4) . . ?
F5_5 C3_5 C1_5 110.8(4) . . ?
F4_5 C3_5 C1_5 112.6(5) . . ?
F6_5 C3_5 C1_5 110.4(4) . . ?
F9_5 C4_5 F7_5 107.1(5) . . ?
F9_5 C4_5 F8_5 108.0(5) . . ?
F7_5 C4_5 F8_5 106.9(5) . . ?
F9_5 C4_5 C1_5 111.1(5) . . ?
F7_5 C4_5 C1_5 111.6(5) . . ?
F8_5 C4_5 C1_5 111.8(5) . . ?
O1_7 Ag01 Cl8 140.20(12) . . ?
O1_7 Ag01 Cl7 120.93(10) . . ?
Cl8 Ag01 Cl7 61.95(6) . . ?
O1_7 Ag01 Al3 34.50(10) . . ?
Cl8 Ag01 Al3 158.55(6) . . ?
Cl7 Ag01 Al3 138.88(6) . . ?
Cl8 C1 Cl7 110.3(4) . . ?
C4 Cl1 Ag04 98.2(2) . . ?
O1_10 Al1 O1_12 114.3(2) . . ?
O1_10 Al1 O1_11 116.3(2) . . ?
O1_12 Al1 O1_11 105.5(2) . . ?
O1_10 Al1 O1_9 115.0(2) . . ?
O1_12 Al1 O1_9 106.6(2) . . ?
O1_11 Al1 O1_9 97.4(2) . . ?
O1_10 Al1 Ag02 160.09(15) . . ?
O1_12 Al1 Ag02 85.65(17) . . ?
O1_11 Al1 Ag02 54.57(14) . . ?
O1_9 Al1 Ag02 55.05(15) . . ?
O1_11 Ag02 O1_9 62.82(12) . . ?
O1_11 Ag02 Cl3 148.31(11) . . ?
O1_9 Ag02 Cl3 137.99(12) . . ?
O1_11 Ag02 Cl4 131.23(10) . . ?
O1_9 Ag02 Cl4 126.40(11) . . ?
Cl3 Ag02 Cl4 62.61(6) . . ?
O1_11 Ag02 Al1 34.42(9) . . ?
O1_9 Ag02 Al1 34.62(10) . . ?
Cl3 Ag02 Al1 144.32(5) . . ?
Cl4 Ag02 Al1 152.25(5) . . ?
O1_19 Al2 O1_4 91.9(6) . . ?
O1_19 Al2 O1_14 128.8(5) . . ?
O1_4 Al2 O1_14 108.2(3) . . ?
O1_18 Al2 O1_14 110.1(3) . . ?
O1_19 Al2 O1_13 117.5(5) . . ?
O1_4 Al2 O1_13 110.6(3) . . ?
O1_18 Al2 O1_13 114.7(3) . . ?
O1_14 Al2 O1_13 99.0(2) . . ?
O1_18 Al2 O1_3 136.6(4) . . ?
O1_14 Al2 O1_3 96.2(4) . . ?
O1_13 Al2 O1_3 93.4(3) . . ?
O1_19 Al2 Ag03 166.7(5) . . ?
O1_4 Al2 Ag03 82.5(3) . . ?
O1_18 Al2 Ag03 164.2(3) . . ?
O1_14 Al2 Ag03 64.53(18) . . ?
O1_13 Al2 Ag03 54.36(14) . . ?
O1_3 Al2 Ag03 59.0(3) . . ?
Cl4 C2 Cl3 108.8(3) . . ?
O1_13 Ag03 F7_4 99.4(3) . . ?
O1_13 Ag03 Cl5 148.54(12) . . ?
F7_4 Ag03 Cl5 111.1(3) . . ?
O1_13 Ag03 Al2 34.83(9) . . ?
F7_4 Ag03 Al2 82.3(2) . . ?
Cl5 Ag03 Al2 154.28(6) . . ?
O1_5 Al3 O1_8 113.5(2) . . ?
O1_5 Al3 O1_6 114.5(2) . . ?
O1_8 Al3 O1_6 107.3(2) . . ?
O1_5 Al3 O1_7 116.7(2) . . ?
O1_8 Al3 O1_7 106.9(2) . . ?
O1_6 Al3 O1_7 96.3(2) . . ?
O1_5 Al3 Ag01 160.75(17) . . ?
O1_8 Al3 Ag01 85.74(17) . . ?
O1_6 Al3 Ag01 56.88(14) . . ?
O1_7 Al3 Ag01 52.84(14) . . ?
Cl6 C3 Cl5 113.8(5) . . ?
C2 Cl3 Ag02 98.3(2) . . ?
F4_2 Ag04 Cl1 115.9(4) . . ?
F4_2 Ag04 Al4 88.1(3) . . ?
Cl1 Ag04 Al4 152.70(6) . . ?
C2 Cl4 Ag02 89.5(2) . . ?
O1_15 Al4 O1_17 118.8(3) . . ?
O1_15 Al4 O1_2 109.3(4) . . ?
O1_17 Al4 O1_2 108.1(5) . . ?
O1_15 Al4 O1_16 115.0(2) . . ?
O1_17 Al4 O1_16 98.4(2) . . ?
O1_2 Al4 O1_16 106.1(5) . . ?
O1_15 Al4 O1_1 125.8(3) . . ?
O1_17 Al4 O1_1 96.5(3) . . ?
O1_16 Al4 O1_1 96.8(4) . . ?
O1_15 Al4 Ag04 174.10(18) . . ?
O1_17 Al4 Ag04 61.67(18) . . ?
O1_2 Al4 Ag04 75.4(4) . . ?
O1_16 Al4 Ag04 59.55(13) . . ?
O1_1 Al4 Ag04 58.9(3) . . ?
Cl2 C4 Cl1 111.2(4) . . ?
C3 Cl5 Ag03 97.3(3) . . ?
C1 Cl7 Ag01 89.8(2) . . ?
C1 Cl8 Ag01 97.7(2) . . ?
C1_1 O1_1 Al4 142.9(7) . . ?
O1_1 C1_1 C2_1 108.2(8) . . ?
O1_1 C1_1 C3_1 113.6(8) . . ?
C2_1 C1_1 C3_1 111.1(7) . . ?
O1_1 C1_1 C4_1 106.5(8) . . ?
C2_1 C1_1 C4_1 109.4(8) . . ?
C3_1 C1_1 C4_1 107.9(8) . . ?
F3_1 C2_1 F2_1 107.2(8) . . ?
F3_1 C2_1 F1_1 110.5(11) . . ?
F2_1 C2_1 F1_1 104.9(10) . . ?
F3_1 C2_1 C1_1 112.7(8) . . ?
F2_1 C2_1 C1_1 111.3(8) . . ?
F1_1 C2_1 C1_1 109.9(9) . . ?
F4_1 C3_1 F5_1 109.8(9) . . ?
F4_1 C3_1 F6_1 108.2(8) . . ?
F5_1 C3_1 F6_1 106.3(8) . . ?
F4_1 C3_1 C1_1 109.3(8) . . ?
F5_1 C3_1 C1_1 110.5(7) . . ?
F6_1 C3_1 C1_1 112.7(8) . . ?
F7_1 C4_1 F9_1 109.3(10) . . ?
F7_1 C4_1 F8_1 108.0(8) . . ?
F9_1 C4_1 F8_1 104.6(9) . . ?
F7_1 C4_1 C1_1 109.1(8) . . ?
F9_1 C4_1 C1_1 111.1(8) . . ?
F8_1 C4_1 C1_1 114.6(9) . . ?
C1_2 O1_2 Al4 152.9(12) . . ?
O1_2 C1_2 C4_2 107.2(10) . . ?
O1_2 C1_2 C3_2 108.2(10) . . ?
C4_2 C1_2 C3_2 109.2(9) . . ?
O1_2 C1_2 C2_2 111.8(10) . . ?
C4_2 C1_2 C2_2 111.2(9) . . ?
C3_2 C1_2 C2_2 109.2(9) . . ?
F3_2 C2_2 F2_2 111.0(9) . . ?
F3_2 C2_2 F1_2 109.2(10) . . ?
F2_2 C2_2 F1_2 107.1(10) . . ?
F3_2 C2_2 C1_2 109.2(9) . . ?
F2_2 C2_2 C1_2 110.0(10) . . ?
F1_2 C2_2 C1_2 110.4(9) . . ?
F6_2 C3_2 F4_2 109.3(11) . . ?
F6_2 C3_2 F5_2 108.2(15) . . ?
F4_2 C3_2 F5_2 102.1(13) . . ?
F6_2 C3_2 C1_2 112.7(10) . . ?
F4_2 C3_2 C1_2 113.6(11) . . ?
F5_2 C3_2 C1_2 110.3(12) . . ?
C3_2 F4_2 Ag04 110.7(8) . . ?
F7_2 C4_2 F9_2 109.0(10) . . ?
F7_2 C4_2 F8_2 104.8(10) . . ?
F9_2 C4_2 F8_2 108.3(10) . . ?
F7_2 C4_2 C1_2 113.3(9) . . ?
F9_2 C4_2 C1_2 111.3(10) . . ?
F8_2 C4_2 C1_2 109.9(10) . . ?
C1_3 O1_3 Al2 144.7(7) . . ?
O1_3 C1_3 C2_3 107.9(8) . . ?
O1_3 C1_3 C4_3 111.0(9) . . ?
C2_3 C1_3 C4_3 111.5(9) . . ?
O1_3 C1_3 C3_3 107.6(8) . . ?
C2_3 C1_3 C3_3 111.9(8) . . ?
C4_3 C1_3 C3_3 106.8(8) . . ?
F2_3 C2_3 F3_3 106.1(11) . . ?
F2_3 C2_3 F1_3 110.7(10) . . ?
F3_3 C2_3 F1_3 104.9(11) . . ?
F2_3 C2_3 C1_3 112.5(9) . . ?
F3_3 C2_3 C1_3 110.5(9) . . ?
F1_3 C2_3 C1_3 111.7(9) . . ?
F6_3 C3_3 F5_3 107.1(9) . . ?
F6_3 C3_3 F4_3 107.3(10) . . ?
F5_3 C3_3 F4_3 105.9(9) . . ?
F6_3 C3_3 C1_3 112.5(8) . . ?
F5_3 C3_3 C1_3 113.1(9) . . ?
F4_3 C3_3 C1_3 110.4(9) . . ?
F7_3 C4_3 F8_3 106.5(10) . . ?
F7_3 C4_3 F9_3 106.9(11) . . ?
F8_3 C4_3 F9_3 106.7(10) . . ?
F7_3 C4_3 C1_3 109.9(9) . . ?
F8_3 C4_3 C1_3 111.1(9) . . ?
F9_3 C4_3 C1_3 115.3(11) . . ?
C1_4 O1_4 Al2 154.3(7) . . ?
O1_4 C1_4 C2_4 110.6(7) . . ?
O1_4 C1_4 C4_4 109.9(8) . . ?
C2_4 C1_4 C4_4 108.9(7) . . ?
O1_4 C1_4 C3_4 108.2(8) . . ?
C2_4 C1_4 C3_4 109.9(7) . . ?
C4_4 C1_4 C3_4 109.3(7) . . ?
F1_4 C2_4 F2_4 110.5(8) . . ?
F1_4 C2_4 F3_4 106.5(8) . . ?
F2_4 C2_4 F3_4 106.2(8) . . ?
F1_4 C2_4 C1_4 111.2(8) . . ?
F2_4 C2_4 C1_4 111.0(8) . . ?
F3_4 C2_4 C1_4 111.2(7) . . ?
F5_4 C3_4 F4_4 108.4(8) . . ?
F5_4 C3_4 F6_4 111.2(9) . . ?
F4_4 C3_4 F6_4 106.2(9) . . ?
F5_4 C3_4 C1_4 113.0(8) . . ?
F4_4 C3_4 C1_4 108.8(8) . . ?
F6_4 C3_4 C1_4 109.1(10) . . ?
F9_4 C4_4 F8_4 110.5(10) . . ?
F9_4 C4_4 F7_4 103.7(9) . . ?
F8_4 C4_4 F7_4 107.8(8) . . ?
F9_4 C4_4 C1_4 109.6(8) . . ?
F8_4 C4_4 C1_4 113.4(8) . . ?
F7_4 C4_4 C1_4 111.4(8) . . ?
C4_4 F7_4 Ag03 111.9(7) . . ?
C1_18 O1_18 Al2 158.9(7) . . ?
O1_18 C1_18 C2_18 110.5(7) . . ?
O1_18 C1_18 C3_18 111.5(7) . . ?
C2_18 C1_18 C3_18 107.5(7) . . ?
O1_18 C1_18 C4_18 109.4(7) . . ?
C2_18 C1_18 C4_18 109.1(8) . . ?
C3_18 C1_18 C4_18 108.7(7) . . ?
F2_18 C2_18 F1_18 103.5(8) . . ?
F2_18 C2_18 F3_18 106.1(9) . . ?
F1_18 C2_18 F3_18 105.1(8) . . ?
F2_18 C2_18 C1_18 111.8(7) . . ?
F1_18 C2_18 C1_18 111.3(8) . . ?
F3_18 C2_18 C1_18 118.0(10) . . ?
F6_18 C3_18 F4_18 106.8(7) . . ?
F6_18 C3_18 F5_18 108.8(8) . . ?
F4_18 C3_18 F5_18 110.2(8) . . ?
F6_18 C3_18 C1_18 109.3(7) . . ?
F4_18 C3_18 C1_18 109.9(7) . . ?
F5_18 C3_18 C1_18 111.7(9) . . ?
F8_18 C4_18 F9_18 108.8(10) . . ?
F8_18 C4_18 F7_18 105.2(9) . . ?
F9_18 C4_18 F7_18 109.8(9) . . ?
F8_18 C4_18 C1_18 110.9(11) . . ?
F9_18 C4_18 C1_18 110.1(8) . . ?
F7_18 C4_18 C1_18 111.9(9) . . ?
C1_19 O1_19 Al2 162.3(11) . . ?
O1_19 C1_19 C4_19 110.8(12) . . ?
O1_19 C1_19 C2_19 107.6(11) . . ?
C4_19 C1_19 C2_19 112.3(11) . . ?
O1_19 C1_19 C3_19 108.1(12) . . ?
C4_19 C1_19 C3_19 108.8(11) . . ?
C2_19 C1_19 C3_19 109.0(11) . . ?
F1_19 C2_19 F2_19 113.5(14) . . ?
F1_19 C2_19 F3_19 104.5(13) . . ?
F2_19 C2_19 F3_19 111.5(15) . . ?
F1_19 C2_19 C1_19 110.4(12) . . ?
F2_19 C2_19 C1_19 104.3(16) . . ?
F3_19 C2_19 C1_19 112.8(11) . . ?
F5_19 C3_19 F6_19 106.2(13) . . ?
F5_19 C3_19 F4_19 107.4(12) . . ?
F6_19 C3_19 F4_19 108.4(13) . . ?
F5_19 C3_19 C1_19 112.2(11) . . ?
F6_19 C3_19 C1_19 110.0(14) . . ?
F4_19 C3_19 C1_19 112.3(11) . . ?
F9_19 C4_19 F8_19 108.1(15) . . ?
F9_19 C4_19 F7_19 103.2(14) . . ?
F8_19 C4_19 F7_19 107.7(13) . . ?
F9_19 C4_19 C1_19 111.0(16) . . ?
F8_19 C4_19 C1_19 113.3(15) . . ?
F7_19 C4_19 C1_19 112.8(12) . . ?

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
Al4 O1_17 C1_17 C3_17 -57.4(10) . . . . ?
Al4 O1_17 C1_17 C4_17 63.8(10) . . . . ?
Al4 O1_17 C1_17 C2_17 -176.7(7) . . . . ?
O1_17 C1_17 C2_17 F2_17 -165.3(5) . . . . ?
C3_17 C1_17 C2_17 F2_17 73.0(6) . . . . ?
C4_17 C1_17 C2_17 F2_17 -46.7(6) . . . . ?
O1_17 C1_17 C2_17 F3_17 73.5(6) . . . . ?
C3_17 C1_17 C2_17 F3_17 -48.2(6) . . . . ?
C4_17 C1_17 C2_17 F3_17 -167.9(4) . . . . ?
O1_17 C1_17 C2_17 F1_17 -45.9(6) . . . . ?
C3_17 C1_17 C2_17 F1_17 -167.7(5) . . . . ?
C4_17 C1_17 C2_17 F1_17 72.6(6) . . . . ?
O1_17 C1_17 C3_17 F4_17 76.5(6) . . . . ?
C4_17 C1_17 C3_17 F4_17 -44.5(6) . . . . ?
C2_17 C1_17 C3_17 F4_17 -164.9(5) . . . . ?
O1_17 C1_17 C3_17 F5_17 -43.9(6) . . . . ?
C4_17 C1_17 C3_17 F5_17 -165.0(5) . . . . ?
C2_17 C1_17 C3_17 F5_17 74.6(6) . . . . ?
O1_17 C1_17 C3_17 F6_17 -162.8(5) . . . . ?
C4_17 C1_17 C3_17 F6_17 76.1(6) . . . . ?
C2_17 C1_17 C3_17 F6_17 -44.3(6) . . . . ?
O1_17 C1_17 C4_17 F8_17 -171.5(5) . . . . ?
C3_17 C1_17 C4_17 F8_17 -48.3(6) . . . . ?
C2_17 C1_17 C4_17 F8_17 71.0(6) . . . . ?
O1_17 C1_17 C4_17 F7_17 -50.5(6) . . . . ?
C3_17 C1_17 C4_17 F7_17 72.7(6) . . . . ?
C2_17 C1_17 C4_17 F7_17 -168.1(4) . . . . ?
O1_17 C1_17 C4_17 F9_17 67.0(6) . . . . ?
C3_17 C1_17 C4_17 F9_17 -169.8(5) . . . . ?
C2_17 C1_17 C4_17 F9_17 -50.6(6) . . . . ?
Al4 O1_16 C1_16 C2_16 -46.6(9) . . . . ?
Al4 O1_16 C1_16 C4_16 -166.7(5) . . . . ?
Al4 O1_16 C1_16 C3_16 74.7(8) . . . . ?
O1_16 C1_16 C2_16 F3_16 78.1(6) . . . . ?
C4_16 C1_16 C2_16 F3_16 -162.9(4) . . . . ?
C3_16 C1_16 C2_16 F3_16 -43.2(6) . . . . ?
O1_16 C1_16 C2_16 F2_16 -162.3(5) . . . . ?
C4_16 C1_16 C2_16 F2_16 -43.2(7) . . . . ?
C3_16 C1_16 C2_16 F2_16 76.4(6) . . . . ?
O1_16 C1_16 C2_16 F1_16 -41.7(6) . . . . ?
C4_16 C1_16 C2_16 F1_16 77.4(5) . . . . ?
C3_16 C1_16 C2_16 F1_16 -163.0(4) . . . . ?
O1_16 C1_16 C3_16 F5_16 -48.2(6) . . . . ?
C2_16 C1_16 C3_16 F5_16 74.4(6) . . . . ?
C4_16 C1_16 C3_16 F5_16 -165.8(5) . . . . ?
O1_16 C1_16 C3_16 F6_16 -169.7(5) . . . . ?
C2_16 C1_16 C3_16 F6_16 -47.2(6) . . . . ?
C4_16 C1_16 C3_16 F6_16 72.7(6) . . . . ?
O1_16 C1_16 C3_16 F4_16 69.5(6) . . . . ?
C2_16 C1_16 C3_16 F4_16 -167.9(5) . . . . ?
C4_16 C1_16 C3_16 F4_16 -48.1(6) . . . . ?
O1_16 C1_16 C4_16 F8_16 -161.5(5) . . . . ?
C2_16 C1_16 C4_16 F8_16 77.1(6) . . . . ?
C3_16 C1_16 C4_16 F8_16 -42.7(6) . . . . ?
O1_16 C1_16 C4_16 F7_16 -40.5(6) . . . . ?
C2_16 C1_16 C4_16 F7_16 -161.9(5) . . . . ?
C3_16 C1_16 C4_16 F7_16 78.3(6) . . . . ?
O1_16 C1_16 C4_16 F9_16 76.0(6) . . . . ?
C2_16 C1_16 C4_16 F9_16 -45.5(6) . . . . ?
C3_16 C1_16 C4_16 F9_16 -165.3(5) . . . . ?
Al4 O1_15 C1_15 C3_15 105(3) . . . . ?
Al4 O1_15 C1_15 C2_15 -18(3) . . . . ?
Al4 O1_15 C1_15 C4_15 -138(2) . . . . ?
O1_15 C1_15 C2_15 F3_15 41.8(7) . . . . ?
C3_15 C1_15 C2_15 F3_15 -79.9(6) . . . . ?
C4_15 C1_15 C2_15 F3_15 161.2(5) . . . . ?
O1_15 C1_15 C2_15 F1_15 -77.7(6) . . . . ?
C3_15 C1_15 C2_15 F1_15 160.7(5) . . . . ?
C4_15 C1_15 C2_15 F1_15 41.8(6) . . . . ?
O1_15 C1_15 C2_15 F2_15 161.9(5) . . . . ?
C3_15 C1_15 C2_15 F2_15 40.2(6) . . . . ?
C4_15 C1_15 C2_15 F2_15 -78.7(6) . . . . ?
O1_15 C1_15 C3_15 F4_15 37.4(6) . . . . ?
C2_15 C1_15 C3_15 F4_15 159.4(5) . . . . ?
C4_15 C1_15 C3_15 F4_15 -80.7(6) . . . . ?
O1_15 C1_15 C3_15 F5_15 -82.6(6) . . . . ?
C2_15 C1_15 C3_15 F5_15 39.5(6) . . . . ?
C4_15 C1_15 C3_15 F5_15 159.3(5) . . . . ?
O1_15 C1_15 C3_15 F6_15 159.4(5) . . . . ?
C2_15 C1_15 C3_15 F6_15 -78.6(6) . . . . ?
C4_15 C1_15 C3_15 F6_15 41.3(7) . . . . ?
O1_15 C1_15 C4_15 F7_15 -77.2(6) . . . . ?
C3_15 C1_15 C4_15 F7_15 41.6(6) . . . . ?
C2_15 C1_15 C4_15 F7_15 162.3(5) . . . . ?
O1_15 C1_15 C4_15 F9_15 43.9(7) . . . . ?
C3_15 C1_15 C4_15 F9_15 162.7(5) . . . . ?
C2_15 C1_15 C4_15 F9_15 -76.6(6) . . . . ?
O1_15 C1_15 C4_15 F8_15 162.1(5) . . . . ?
C3_15 C1_15 C4_15 F8_15 -79.1(6) . . . . ?
C2_15 C1_15 C4_15 F8_15 41.6(6) . . . . ?
Al2 O1_14 C1_14 C2_14 58.7(10) . . . . ?
Al2 O1_14 C1_14 C4_14 -62.5(10) . . . . ?
Al2 O1_14 C1_14 C3_14 178.1(7) . . . . ?
O1_14 C1_14 C2_14 F2_14 163.4(5) . . . . ?
C4_14 C1_14 C2_14 F2_14 -74.2(6) . . . . ?
C3_14 C1_14 C2_14 F2_14 45.8(7) . . . . ?
O1_14 C1_14 C2_14 F1_14 -74.9(6) . . . . ?
C4_14 C1_14 C2_14 F1_14 47.6(6) . . . . ?
C3_14 C1_14 C2_14 F1_14 167.5(5) . . . . ?
O1_14 C1_14 C2_14 F3_14 43.8(7) . . . . ?
C4_14 C1_14 C2_14 F3_14 166.2(5) . . . . ?
C3_14 C1_14 C2_14 F3_14 -73.8(6) . . . . ?
O1_14 C1_14 C3_14 F6_14 164.6(5) . . . . ?
C2_14 C1_14 C3_14 F6_14 -74.7(6) . . . . ?
C4_14 C1_14 C3_14 F6_14 44.6(6) . . . . ?
O1_14 C1_14 C3_14 F4_14 44.6(6) . . . . ?
C2_14 C1_14 C3_14 F4_14 165.2(5) . . . . ?
C4_14 C1_14 C3_14 F4_14 -75.5(6) . . . . ?
O1_14 C1_14 C3_14 F5_14 -73.3(6) . . . . ?
C2_14 C1_14 C3_14 F5_14 47.4(6) . . . . ?
C4_14 C1_14 C3_14 F5_14 166.7(5) . . . . ?
O1_14 C1_14 C4_14 F8_14 170.9(6) . . . . ?
C2_14 C1_14 C4_14 F8_14 48.1(7) . . . . ?
C3_14 C1_14 C4_14 F8_14 -71.7(7) . . . . ?
O1_14 C1_14 C4_14 F9_14 48.6(7) . . . . ?
C2_14 C1_14 C4_14 F9_14 -74.2(6) . . . . ?
C3_14 C1_14 C4_14 F9_14 165.9(5) . . . . ?
O1_14 C1_14 C4_14 F7_14 -67.4(7) . . . . ?
C2_14 C1_14 C4_14 F7_14 169.8(5) . . . . ?
C3_14 C1_14 C4_14 F7_14 50.0(6) . . . . ?
Al2 O1_13 C1_13 C4_13 -70.2(8) . . . . ?
Ag03 O1_13 C1_13 C4_13 68.7(5) . . . . ?
Al2 O1_13 C1_13 C3_13 168.1(5) . . . . ?
Ag03 O1_13 C1_13 C3_13 -53.1(5) . . . . ?
Al2 O1_13 C1_13 C2_13 50.6(8) . . . . ?
Ag03 O1_13 C1_13 C2_13 -170.6(3) . . . . ?
O1_13 C1_13 C2_13 F1_13 -79.8(6) . . . . ?
C4_13 C1_13 C2_13 F1_13 41.4(6) . . . . ?
C3_13 C1_13 C2_13 F1_13 163.4(4) . . . . ?
O1_13 C1_13 C2_13 F3_13 41.1(6) . . . . ?
C4_13 C1_13 C2_13 F3_13 162.3(5) . . . . ?
C3_13 C1_13 C2_13 F3_13 -75.7(6) . . . . ?
O1_13 C1_13 C2_13 F2_13 160.3(5) . . . . ?
C4_13 C1_13 C2_13 F2_13 -78.5(6) . . . . ?
C3_13 C1_13 C2_13 F2_13 43.6(6) . . . . ?
O1_13 C1_13 C3_13 F6_13 166.1(5) . . . . ?
C4_13 C1_13 C3_13 F6_13 45.6(6) . . . . ?
C2_13 C1_13 C3_13 F6_13 -74.8(6) . . . . ?
O1_13 C1_13 C3_13 F4_13 47.0(6) . . . . ?
C4_13 C1_13 C3_13 F4_13 -73.5(6) . . . . ?
C2_13 C1_13 C3_13 F4_13 166.1(5) . . . . ?
O1_13 C1_13 C3_13 F5_13 -73.7(5) . . . . ?
C4_13 C1_13 C3_13 F5_13 165.8(4) . . . . ?
C2_13 C1_13 C3_13 F5_13 45.4(6) . . . . ?
O1_13 C1_13 C4_13 F8_13 172.1(4) . . . . ?
C3_13 C1_13 C4_13 F8_13 -69.2(6) . . . . ?
C2_13 C1_13 C4_13 F8_13 50.5(6) . . . . ?
O1_13 C1_13 C4_13 F9_13 48.0(6) . . . . ?
C3_13 C1_13 C4_13 F9_13 166.7(5) . . . . ?
C2_13 C1_13 C4_13 F9_13 -73.5(6) . . . . ?
O1_13 C1_13 C4_13 F7_13 -68.5(6) . . . . ?
C3_13 C1_13 C4_13 F7_13 50.2(6) . . . . ?
C2_13 C1_13 C4_13 F7_13 170.0(4) . . . . ?
Al1 O1_12 C1_12 C4_12 120.7(10) . . . . ?
Al1 O1_12 C1_12 C2_12 -118.0(10) . . . . ?
Al1 O1_12 C1_12 C3_12 0.3(12) . . . . ?
O1_12 C1_12 C2_12 F3_12 40.7(8) . . . . ?
C4_12 C1_12 C2_12 F3_12 161.1(6) . . . . ?
C3_12 C1_12 C2_12 F3_12 -78.9(6) . . . . ?
O1_12 C1_12 C2_12 F2_12 161.2(5) . . . . ?
C4_12 C1_12 C2_12 F2_12 -78.3(7) . . . . ?
C3_12 C1_12 C2_12 F2_12 41.6(7) . . . . ?
O1_12 C1_12 C2_12 F1_12 -78.0(6) . . . . ?
C4_12 C1_12 C2_12 F1_12 42.5(6) . . . . ?
C3_12 C1_12 C2_12 F1_12 162.4(5) . . . . ?
O1_12 C1_12 C3_12 F4_12 47.2(6) . . . . ?
C4_12 C1_12 C3_12 F4_12 -72.9(6) . . . . ?
C2_12 C1_12 C3_12 F4_12 166.7(5) . . . . ?
O1_12 C1_12 C3_12 F6_12 164.8(6) . . . . ?
C4_12 C1_12 C3_12 F6_12 44.7(7) . . . . ?
C2_12 C1_12 C3_12 F6_12 -75.7(7) . . . . ?
O1_12 C1_12 C3_12 F5_12 -75.7(6) . . . . ?
C4_12 C1_12 C3_12 F5_12 164.2(5) . . . . ?
C2_12 C1_12 C3_12 F5_12 43.8(6) . . . . ?
O1_12 C1_12 C4_12 F7_12 -75.1(6) . . . . ?
C2_12 C1_12 C4_12 F7_12 164.2(5) . . . . ?
C3_12 C1_12 C4_12 F7_12 45.4(6) . . . . ?
O1_12 C1_12 C4_12 F8_12 163.7(5) . . . . ?
C2_12 C1_12 C4_12 F8_12 43.0(7) . . . . ?
C3_12 C1_12 C4_12 F8_12 -75.8(6) . . . . ?
O1_12 C1_12 C4_12 F9_12 45.8(6) . . . . ?
C2_12 C1_12 C4_12 F9_12 -74.9(6) . . . . ?
C3_12 C1_12 C4_12 F9_12 166.3(5) . . . . ?
Al1 O1_11 C1_11 C3_11 33.7(8) . . . . ?
Ag02 O1_11 C1_11 C3_11 -177.9(3) . . . . ?
Al1 O1_11 C1_11 C2_11 -88.3(7) . . . . ?
Ag02 O1_11 C1_11 C2_11 60.1(5) . . . . ?
Al1 O1_11 C1_11 C4_11 153.5(5) . . . . ?
Ag02 O1_11 C1_11 C4_11 -58.0(5) . . . . ?
O1_11 C1_11 C2_11 F3_11 50.5(7) . . . . ?
C3_11 C1_11 C2_11 F3_11 -73.7(6) . . . . ?
C4_11 C1_11 C2_11 F3_11 168.1(5) . . . . ?
O1_11 C1_11 C2_11 F1_11 -68.1(6) . . . . ?
C3_11 C1_11 C2_11 F1_11 167.7(5) . . . . ?
C4_11 C1_11 C2_11 F1_11 49.5(6) . . . . ?
O1_11 C1_11 C2_11 F2_11 172.9(5) . . . . ?
C3_11 C1_11 C2_11 F2_11 48.7(7) . . . . ?
C4_11 C1_11 C2_11 F2_11 -69.4(7) . . . . ?
O1_11 C1_11 C3_11 F4_11 37.9(7) . . . . ?
C2_11 C1_11 C3_11 F4_11 158.8(5) . . . . ?
C4_11 C1_11 C3_11 F4_11 -82.3(6) . . . . ?
O1_11 C1_11 C3_11 F6_11 159.3(5) . . . . ?
C2_11 C1_11 C3_11 F6_11 -79.9(6) . . . . ?
C4_11 C1_11 C3_11 F6_11 39.1(7) . . . . ?
O1_11 C1_11 C3_11 F5_11 -79.6(6) . . . . ?
C2_11 C1_11 C3_11 F5_11 41.2(6) . . . . ?
C4_11 C1_11 C3_11 F5_11 160.2(5) . . . . ?
O1_11 C1_11 C4_11 F9_11 41.3(7) . . . . ?
C3_11 C1_11 C4_11 F9_11 164.6(5) . . . . ?
C2_11 C1_11 C4_11 F9_11 -76.0(7) . . . . ?
O1_11 C1_11 C4_11 F8_11 162.2(5) . . . . ?
C3_11 C1_11 C4_11 F8_11 -74.5(6) . . . . ?
C2_11 C1_11 C4_11 F8_11 45.0(7) . . . . ?
O1_11 C1_11 C4_11 F7_11 -78.2(6) . . . . ?
C3_11 C1_11 C4_11 F7_11 45.1(7) . . . . ?
C2_11 C1_11 C4_11 F7_11 164.6(5) . . . . ?
Al1 O1_10 C1_10 C3_10 -165.4(9) . . . . ?
Al1 O1_10 C1_10 C2_10 74.4(12) . . . . ?
Al1 O1_10 C1_10 C4_10 -45.8(13) . . . . ?
O1_10 C1_10 C2_10 F3_10 78.7(5) . . . . ?
C3_10 C1_10 C2_10 F3_10 -39.9(6) . . . . ?
C4_10 C1_10 C2_10 F3_10 -159.2(4) . . . . ?
O1_10 C1_10 C2_10 F1_10 -42.2(6) . . . . ?
C3_10 C1_10 C2_10 F1_10 -160.8(4) . . . . ?
C4_10 C1_10 C2_10 F1_10 79.9(5) . . . . ?
O1_10 C1_10 C2_10 F2_10 -161.9(4) . . . . ?
C3_10 C1_10 C2_10 F2_10 79.5(5) . . . . ?
C4_10 C1_10 C2_10 F2_10 -39.8(6) . . . . ?
O1_10 C1_10 C3_10 F6_10 -162.7(4) . . . . ?
C2_10 C1_10 C3_10 F6_10 -42.7(6) . . . . ?
C4_10 C1_10 C3_10 F6_10 76.2(5) . . . . ?
O1_10 C1_10 C3_10 F5_10 -42.5(6) . . . . ?
C2_10 C1_10 C3_10 F5_10 77.6(5) . . . . ?
C4_10 C1_10 C3_10 F5_10 -163.5(4) . . . . ?
O1_10 C1_10 C3_10 F4_10 78.1(5) . . . . ?
C2_10 C1_10 C3_10 F4_10 -161.9(4) . . . . ?
C4_10 C1_10 C3_10 F4_10 -43.0(5) . . . . ?
O1_10 C1_10 C4_10 F8_10 -159.3(5) . . . . ?
C3_10 C1_10 C4_10 F8_10 -40.6(6) . . . . ?
C2_10 C1_10 C4_10 F8_10 79.5(6) . . . . ?
O1_10 C1_10 C4_10 F9_10 79.3(5) . . . . ?
C3_10 C1_10 C4_10 F9_10 -162.0(4) . . . . ?
C2_10 C1_10 C4_10 F9_10 -41.8(5) . . . . ?
O1_10 C1_10 C4_10 F7_10 -38.7(6) . . . . ?
C3_10 C1_10 C4_10 F7_10 80.0(5) . . . . ?
C2_10 C1_10 C4_10 F7_10 -159.9(4) . . . . ?
Al1 O1_9 C1_9 C3_9 174.3(5) . . . . ?
Ag02 O1_9 C1_9 C3_9 -61.8(5) . . . . ?
Al1 O1_9 C1_9 C2_9 55.3(8) . . . . ?
Ag02 O1_9 C1_9 C2_9 179.2(3) . . . . ?
Al1 O1_9 C1_9 C4_9 -64.8(8) . . . . ?
Ag02 O1_9 C1_9 C4_9 59.1(5) . . . . ?
O1_9 C1_9 C2_9 F2_9 161.0(5) . . . . ?
C3_9 C1_9 C2_9 F2_9 41.4(6) . . . . ?
C4_9 C1_9 C2_9 F2_9 -78.3(6) . . . . ?
O1_9 C1_9 C2_9 F3_9 41.2(6) . . . . ?
C3_9 C1_9 C2_9 F3_9 -78.3(6) . . . . ?
C4_9 C1_9 C2_9 F3_9 161.9(5) . . . . ?
O1_9 C1_9 C2_9 F1_9 -78.5(6) . . . . ?
C3_9 C1_9 C2_9 F1_9 161.9(5) . . . . ?
C4_9 C1_9 C2_9 F1_9 42.2(6) . . . . ?
O1_9 C1_9 C3_9 F6_9 164.3(5) . . . . ?
C2_9 C1_9 C3_9 F6_9 -73.9(6) . . . . ?
C4_9 C1_9 C3_9 F6_9 44.3(6) . . . . ?
O1_9 C1_9 C3_9 F5_9 -72.0(6) . . . . ?
C2_9 C1_9 C3_9 F5_9 49.8(6) . . . . ?
C4_9 C1_9 C3_9 F5_9 168.0(4) . . . . ?
O1_9 C1_9 C3_9 F4_9 45.1(6) . . . . ?
C2_9 C1_9 C3_9 F4_9 166.9(5) . . . . ?
C4_9 C1_9 C3_9 F4_9 -74.9(6) . . . . ?
O1_9 C1_9 C4_9 F8_9 169.6(5) . . . . ?
C3_9 C1_9 C4_9 F8_9 -70.7(6) . . . . ?
C2_9 C1_9 C4_9 F8_9 47.1(6) . . . . ?
O1_9 C1_9 C4_9 F7_9 -70.0(6) . . . . ?
C3_9 C1_9 C4_9 F7_9 49.7(6) . . . . ?
C2_9 C1_9 C4_9 F7_9 167.5(4) . . . . ?
O1_9 C1_9 C4_9 F9_9 47.8(6) . . . . ?
C3_9 C1_9 C4_9 F9_9 167.5(4) . . . . ?
C2_9 C1_9 C4_9 F9_9 -74.7(6) . . . . ?
Al3 O1_8 C1_8 C4_8 45.6(11) . . . . ?
Al3 O1_8 C1_8 C3_8 -75.0(10) . . . . ?
Al3 O1_8 C1_8 C2_8 166.5(8) . . . . ?
O1_8 C1_8 C2_8 F1_8 -48.0(6) . . . . ?
C4_8 C1_8 C2_8 F1_8 74.0(6) . . . . ?
C3_8 C1_8 C2_8 F1_8 -165.8(5) . . . . ?
O1_8 C1_8 C2_8 F3_8 70.3(6) . . . . ?
C4_8 C1_8 C2_8 F3_8 -167.7(4) . . . . ?
C3_8 C1_8 C2_8 F3_8 -47.5(6) . . . . ?
O1_8 C1_8 C2_8 F2_8 -167.7(5) . . . . ?
C4_8 C1_8 C2_8 F2_8 -45.7(6) . . . . ?
C3_8 C1_8 C2_8 F2_8 74.6(6) . . . . ?
O1_8 C1_8 C3_8 F5_8 -44.4(6) . . . . ?
C4_8 C1_8 C3_8 F5_8 -165.7(5) . . . . ?
C2_8 C1_8 C3_8 F5_8 74.5(6) . . . . ?
O1_8 C1_8 C3_8 F6_8 -164.2(5) . . . . ?
C4_8 C1_8 C3_8 F6_8 74.4(6) . . . . ?
C2_8 C1_8 C3_8 F6_8 -45.4(7) . . . . ?
O1_8 C1_8 C3_8 F4_8 74.0(6) . . . . ?
C4_8 C1_8 C3_8 F4_8 -47.3(7) . . . . ?
C2_8 C1_8 C3_8 F4_8 -167.2(5) . . . . ?
O1_8 C1_8 C4_8 F9_8 79.2(6) . . . . ?
C3_8 C1_8 C4_8 F9_8 -161.4(5) . . . . ?
C2_8 C1_8 C4_8 F9_8 -41.8(6) . . . . ?
O1_8 C1_8 C4_8 F8_8 -159.8(5) . . . . ?
C3_8 C1_8 C4_8 F8_8 -40.4(6) . . . . ?
C2_8 C1_8 C4_8 F8_8 79.2(6) . . . . ?
O1_8 C1_8 C4_8 F7_8 -41.9(6) . . . . ?
C3_8 C1_8 C4_8 F7_8 77.5(6) . . . . ?
C2_8 C1_8 C4_8 F7_8 -162.9(5) . . . . ?
Al3 O1_7 C1_7 C3_7 160.8(5) . . . . ?
Ag01 O1_7 C1_7 C3_7 -43.3(5) . . . . ?
Al3 O1_7 C1_7 C4_7 -78.9(7) . . . . ?
Ag01 O1_7 C1_7 C4_7 76.9(4) . . . . ?
Al3 O1_7 C1_7 C2_7 40.7(8) . . . . ?
Ag01 O1_7 C1_7 C2_7 -163.5(3) . . . . ?
O1_7 C1_7 C2_7 F1_7 -77.9(6) . . . . ?
C3_7 C1_7 C2_7 F1_7 161.3(4) . . . . ?
C4_7 C1_7 C2_7 F1_7 39.7(6) . . . . ?
O1_7 C1_7 C2_7 F2_7 161.3(4) . . . . ?
C3_7 C1_7 C2_7 F2_7 40.5(6) . . . . ?
C4_7 C1_7 C2_7 F2_7 -81.2(6) . . . . ?
O1_7 C1_7 C2_7 F3_7 42.7(6) . . . . ?
C3_7 C1_7 C2_7 F3_7 -78.1(5) . . . . ?
C4_7 C1_7 C2_7 F3_7 160.2(4) . . . . ?
O1_7 C1_7 C3_7 F6_7 165.7(5) . . . . ?
C4_7 C1_7 C3_7 F6_7 48.4(6) . . . . ?
C2_7 C1_7 C3_7 F6_7 -72.3(6) . . . . ?
O1_7 C1_7 C3_7 F4_7 45.5(6) . . . . ?
C4_7 C1_7 C3_7 F4_7 -71.9(6) . . . . ?
C2_7 C1_7 C3_7 F4_7 167.4(4) . . . . ?
O1_7 C1_7 C3_7 F5_7 -72.8(6) . . . . ?
C4_7 C1_7 C3_7 F5_7 169.9(4) . . . . ?
C2_7 C1_7 C3_7 F5_7 49.1(6) . . . . ?
O1_7 C1_7 C4_7 F7_7 -71.4(5) . . . . ?
C3_7 C1_7 C4_7 F7_7 47.9(6) . . . . ?
C2_7 C1_7 C4_7 F7_7 167.9(4) . . . . ?
O1_7 C1_7 C4_7 F9_7 49.3(6) . . . . ?
C3_7 C1_7 C4_7 F9_7 168.6(5) . . . . ?
C2_7 C1_7 C4_7 F9_7 -71.4(6) . . . . ?
O1_7 C1_7 C4_7 F8_7 170.0(4) . . . . ?
C3_7 C1_7 C4_7 F8_7 -70.8(6) . . . . ?
C2_7 C1_7 C4_7 F8_7 49.3(6) . . . . ?
Al3 O1_6 C1_6 C3_6 171.7(5) . . . . ?
Al3 O1_6 C1_6 C4_6 -69.2(8) . . . . ?
Al3 O1_6 C1_6 C2_6 52.2(8) . . . . ?
O1_6 C1_6 C2_6 F1_6 -79.4(6) . . . . ?
C3_6 C1_6 C2_6 F1_6 162.8(5) . . . . ?
C4_6 C1_6 C2_6 F1_6 42.7(6) . . . . ?
O1_6 C1_6 C2_6 F3_6 42.6(6) . . . . ?
C3_6 C1_6 C2_6 F3_6 -75.2(6) . . . . ?
C4_6 C1_6 C2_6 F3_6 164.7(5) . . . . ?
O1_6 C1_6 C2_6 F2_6 161.6(5) . . . . ?
C3_6 C1_6 C2_6 F2_6 43.8(7) . . . . ?
C4_6 C1_6 C2_6 F2_6 -76.2(6) . . . . ?
O1_6 C1_6 C3_6 F6_6 164.4(5) . . . . ?
C4_6 C1_6 C3_6 F6_6 44.5(7) . . . . ?
C2_6 C1_6 C3_6 F6_6 -75.7(6) . . . . ?
O1_6 C1_6 C3_6 F4_6 42.5(7) . . . . ?
C4_6 C1_6 C3_6 F4_6 -77.4(6) . . . . ?
C2_6 C1_6 C3_6 F4_6 162.5(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 -74.7(6) . . . . ?
C4_6 C1_6 C3_6 F5_6 165.4(5) . . . . ?
C2_6 C1_6 C3_6 F5_6 45.3(7) . . . . ?
O1_6 C1_6 C4_6 F9_6 49.9(6) . . . . ?
C3_6 C1_6 C4_6 F9_6 167.5(5) . . . . ?
C2_6 C1_6 C4_6 F9_6 -72.2(6) . . . . ?
O1_6 C1_6 C4_6 F8_6 170.4(5) . . . . ?
C3_6 C1_6 C4_6 F8_6 -72.0(6) . . . . ?
C2_6 C1_6 C4_6 F8_6 48.3(6) . . . . ?
O1_6 C1_6 C4_6 F7_6 -68.4(6) . . . . ?
C3_6 C1_6 C4_6 F7_6 49.2(6) . . . . ?
C2_6 C1_6 C4_6 F7_6 169.5(5) . . . . ?
Al3 O1_5 C1_5 C3_5 89.6(9) . . . . ?
Al3 O1_5 C1_5 C4_5 -153.1(8) . . . . ?
Al3 O1_5 C1_5 C2_5 -32.9(11) . . . . ?
O1_5 C1_5 C2_5 F1_5 -37.2(6) . . . . ?
C3_5 C1_5 C2_5 F1_5 -159.5(4) . . . . ?
C4_5 C1_5 C2_5 F1_5 80.8(5) . . . . ?
O1_5 C1_5 C2_5 F2_5 -158.8(5) . . . . ?
C3_5 C1_5 C2_5 F2_5 79.0(6) . . . . ?
C4_5 C1_5 C2_5 F2_5 -40.7(6) . . . . ?
O1_5 C1_5 C2_5 F3_5 83.0(6) . . . . ?
C3_5 C1_5 C2_5 F3_5 -39.2(6) . . . . ?
C4_5 C1_5 C2_5 F3_5 -158.9(4) . . . . ?
O1_5 C1_5 C3_5 F5_5 -48.0(6) . . . . ?
C4_5 C1_5 C3_5 F5_5 -163.9(5) . . . . ?
C2_5 C1_5 C3_5 F5_5 75.6(6) . . . . ?
O1_5 C1_5 C3_5 F4_5 74.9(5) . . . . ?
C4_5 C1_5 C3_5 F4_5 -40.9(6) . . . . ?
C2_5 C1_5 C3_5 F4_5 -161.5(4) . . . . ?
O1_5 C1_5 C3_5 F6_5 -165.7(4) . . . . ?
C4_5 C1_5 C3_5 F6_5 78.5(5) . . . . ?
C2_5 C1_5 C3_5 F6_5 -42.0(6) . . . . ?
O1_5 C1_5 C4_5 F9_5 79.2(6) . . . . ?
C3_5 C1_5 C4_5 F9_5 -162.9(5) . . . . ?
C2_5 C1_5 C4_5 F9_5 -42.4(6) . . . . ?
O1_5 C1_5 C4_5 F7_5 -40.3(6) . . . . ?
C3_5 C1_5 C4_5 F7_5 77.6(5) . . . . ?
C2_5 C1_5 C4_5 F7_5 -161.9(4) . . . . ?
O1_5 C1_5 C4_5 F8_5 -160.0(5) . . . . ?
C3_5 C1_5 C4_5 F8_5 -42.1(6) . . . . ?
C2_5 C1_5 C4_5 F8_5 78.4(6) . . . . ?
C1_10 O1_10 Al1 O1_12 3.6(12) . . . . ?
C1_10 O1_10 Al1 O1_11 127.0(11) . . . . ?
C1_10 O1_10 Al1 O1_9 -120.1(11) . . . . ?
C1_10 O1_10 Al1 Ag02 -175.3(8) . . . . ?
C1_12 O1_12 Al1 O1_10 -104.2(10) . . . . ?
C1_12 O1_12 Al1 O1_11 126.8(10) . . . . ?
C1_12 O1_12 Al1 O1_9 23.9(11) . . . . ?
C1_12 O1_12 Al1 Ag02 75.5(10) . . . . ?
C1_11 O1_11 Al1 O1_10 -48.7(7) . . . . ?
Ag02 O1_11 Al1 O1_10 159.31(18) . . . . ?
C1_11 O1_11 Al1 O1_12 79.1(7) . . . . ?
Ag02 O1_11 Al1 O1_12 -72.9(2) . . . . ?
C1_11 O1_11 Al1 O1_9 -171.3(6) . . . . ?
Ag02 O1_11 Al1 O1_9 36.68(18) . . . . ?
C1_11 O1_11 Al1 Ag02 152.0(7) . . . . ?
C1_9 O1_9 Al1 O1_10 -30.3(7) . . . . ?
Ag02 O1_9 Al1 O1_10 -160.05(17) . . . . ?
C1_9 O1_9 Al1 O1_12 -157.9(6) . . . . ?
Ag02 O1_9 Al1 O1_12 72.3(2) . . . . ?
C1_9 O1_9 Al1 O1_11 93.4(7) . . . . ?
Ag02 O1_9 Al1 O1_11 -36.43(18) . . . . ?
C1_9 O1_9 Al1 Ag02 129.8(7) . . . . ?
C1_14 O1_14 Al2 O1_19 -54.0(12) . . . . ?
C1_14 O1_14 Al2 O1_4 -162.1(9) . . . . ?
C1_14 O1_14 Al2 O1_18 -37.9(10) . . . . ?
C1_14 O1_14 Al2 O1_13 82.7(9) . . . . ?
C1_14 O1_14 Al2 O1_3 177.1(9) . . . . ?
C1_14 O1_14 Al2 Ag03 125.9(9) . . . . ?
C1_13 O1_13 Al2 O1_19 -23.2(9) . . . . ?
Ag03 O1_13 Al2 O1_19 -167.5(6) . . . . ?
C1_13 O1_13 Al2 O1_4 80.5(7) . . . . ?
Ag03 O1_13 Al2 O1_4 -63.9(3) . . . . ?
C1_13 O1_13 Al2 O1_18 -49.0(7) . . . . ?
Ag03 O1_13 Al2 O1_18 166.7(3) . . . . ?
C1_13 O1_13 Al2 O1_14 -166.1(6) . . . . ?
Ag03 O1_13 Al2 O1_14 49.5(2) . . . . ?
C1_13 O1_13 Al2 O1_3 97.1(7) . . . . ?
Ag03 O1_13 Al2 O1_3 -47.3(3) . . . . ?
C1_13 O1_13 Al2 Ag03 144.4(7) . . . . ?
C1_5 O1_5 Al3 O1_8 -3.8(10) . . . . ?
C1_5 O1_5 Al3 O1_6 -127.5(9) . . . . ?
C1_5 O1_5 Al3 O1_7 121.2(9) . . . . ?
C1_5 O1_5 Al3 Ag01 173.5(6) . . . . ?
C1_8 O1_8 Al3 O1_5 -104.6(9) . . . . ?
C1_8 O1_8 Al3 O1_6 22.9(10) . . . . ?
C1_8 O1_8 Al3 O1_7 125.3(9) . . . . ?
C1_8 O1_8 Al3 Ag01 76.2(9) . . . . ?
C1_6 O1_6 Al3 O1_5 -28.9(7) . . . . ?
C1_6 O1_6 Al3 O1_8 -155.8(6) . . . . ?
C1_6 O1_6 Al3 O1_7 94.3(7) . . . . ?
C1_6 O1_6 Al3 Ag01 131.4(7) . . . . ?
C1_7 O1_7 Al3 O1_5 -40.1(7) . . . . ?
Ag01 O1_7 Al3 O1_5 160.88(19) . . . . ?
C1_7 O1_7 Al3 O1_8 88.1(7) . . . . ?
Ag01 O1_7 Al3 O1_8 -70.9(2) . . . . ?
C1_7 O1_7 Al3 O1_6 -161.6(6) . . . . ?
Ag01 O1_7 Al3 O1_6 39.35(18) . . . . ?
C1_7 O1_7 Al3 Ag01 159.0(7) . . . . ?
Cl4 C2 Cl3 Ag02 8.5(5) . . . . ?
Cl3 C2 Cl4 Ag02 -7.6(5) . . . . ?
C1_15 O1_15 Al4 O1_17 -68(3) . . . . ?
C1_15 O1_15 Al4 O1_2 56(3) . . . . ?
C1_15 O1_15 Al4 O1_16 176(3) . . . . ?
C1_15 O1_15 Al4 O1_1 56(3) . . . . ?
C1_17 O1_17 Al4 O1_15 52.0(10) . . . . ?
C1_17 O1_17 Al4 O1_2 -73.2(10) . . . . ?
C1_17 O1_17 Al4 O1_16 176.7(9) . . . . ?
C1_17 O1_17 Al4 O1_1 -85.4(9) . . . . ?
C1_17 O1_17 Al4 Ag04 -134.7(9) . . . . ?
C1_16 O1_16 Al4 O1_15 34.0(8) . . . . ?
C1_16 O1_16 Al4 O1_17 -93.4(7) . . . . ?
C1_16 O1_16 Al4 O1_2 154.9(8) . . . . ?
C1_16 O1_16 Al4 O1_1 169.0(7) . . . . ?
C1_16 O1_16 Al4 Ag04 -143.3(7) . . . . ?
Ag04 Cl1 C4 Cl2 -9.6(5) . . . . ?
Cl6 C3 Cl5 Ag03 -4.4(9) . . . . ?
Cl8 C1 Cl7 Ag01 -4.0(4) . . . . ?
Cl7 C1 Cl8 Ag01 4.4(5) . . . . ?
O1_15 Al4 O1_1 C1_1 37.0(16) . . . . ?
O1_17 Al4 O1_1 C1_1 169.9(13) . . . . ?
O1_16 Al4 O1_1 C1_1 -90.8(13) . . . . ?
Ag04 Al4 O1_1 C1_1 -138.9(15) . . . . ?
Al4 O1_1 C1_1 C2_1 70.7(15) . . . . ?
Al4 O1_1 C1_1 C3_1 -53.2(16) . . . . ?
Al4 O1_1 C1_1 C4_1 -171.9(11) . . . . ?
O1_1 C1_1 C2_1 F3_1 -174.2(8) . . . . ?
C3_1 C1_1 C2_1 F3_1 -48.8(12) . . . . ?
C4_1 C1_1 C2_1 F3_1 70.3(11) . . . . ?
O1_1 C1_1 C2_1 F2_1 -53.6(10) . . . . ?
C3_1 C1_1 C2_1 F2_1 71.7(11) . . . . ?
C4_1 C1_1 C2_1 F2_1 -169.2(8) . . . . ?
O1_1 C1_1 C2_1 F1_1 62.2(12) . . . . ?
C3_1 C1_1 C2_1 F1_1 -172.5(11) . . . . ?
C4_1 C1_1 C2_1 F1_1 -53.4(13) . . . . ?
O1_1 C1_1 C3_1 F4_1 -41.7(12) . . . . ?
C2_1 C1_1 C3_1 F4_1 -164.0(9) . . . . ?
C4_1 C1_1 C3_1 F4_1 76.1(11) . . . . ?
O1_1 C1_1 C3_1 F5_1 79.2(10) . . . . ?
C2_1 C1_1 C3_1 F5_1 -43.0(11) . . . . ?
C4_1 C1_1 C3_1 F5_1 -163.0(8) . . . . ?
O1_1 C1_1 C3_1 F6_1 -162.1(9) . . . . ?
C2_1 C1_1 C3_1 F6_1 75.7(11) . . . . ?
C4_1 C1_1 C3_1 F6_1 -44.3(11) . . . . ?
O1_1 C1_1 C4_1 F7_1 75.8(10) . . . . ?
C2_1 C1_1 C4_1 F7_1 -167.5(8) . . . . ?
C3_1 C1_1 C4_1 F7_1 -46.5(11) . . . . ?
O1_1 C1_1 C4_1 F9_1 -44.7(12) . . . . ?
C2_1 C1_1 C4_1 F9_1 72.0(12) . . . . ?
C3_1 C1_1 C4_1 F9_1 -167.0(9) . . . . ?
O1_1 C1_1 C4_1 F8_1 -163.1(9) . . . . ?
C2_1 C1_1 C4_1 F8_1 -46.4(11) . . . . ?
C3_1 C1_1 C4_1 F8_1 74.7(10) . . . . ?
O1_15 Al4 O1_2 C1_2 79(2) . . . . ?
O1_17 Al4 O1_2 C1_2 -150.8(19) . . . . ?
O1_16 Al4 O1_2 C1_2 -46(2) . . . . ?
Ag04 Al4 O1_2 C1_2 -98(2) . . . . ?
Al4 O1_2 C1_2 C4_2 -145.9(17) . . . . ?
Al4 O1_2 C1_2 C3_2 96(2) . . . . ?
Al4 O1_2 C1_2 C2_2 -24(2) . . . . ?
O1_2 C1_2 C2_2 F3_2 37.9(12) . . . . ?
C4_2 C1_2 C2_2 F3_2 157.7(10) . . . . ?
C3_2 C1_2 C2_2 F3_2 -81.8(12) . . . . ?
O1_2 C1_2 C2_2 F2_2 159.9(10) . . . . ?
C4_2 C1_2 C2_2 F2_2 -80.3(12) . . . . ?
C3_2 C1_2 C2_2 F2_2 40.2(12) . . . . ?
O1_2 C1_2 C2_2 F1_2 -82.1(12) . . . . ?
C4_2 C1_2 C2_2 F1_2 37.7(14) . . . . ?
C3_2 C1_2 C2_2 F1_2 158.2(10) . . . . ?
O1_2 C1_2 C3_2 F6_2 163.1(12) . . . . ?
C4_2 C1_2 C3_2 F6_2 46.8(14) . . . . ?
C2_2 C1_2 C3_2 F6_2 -74.9(13) . . . . ?
O1_2 C1_2 C3_2 F4_2 38.1(14) . . . . ?
C4_2 C1_2 C3_2 F4_2 -78.3(13) . . . . ?
C2_2 C1_2 C3_2 F4_2 160.0(11) . . . . ?
O1_2 C1_2 C3_2 F5_2 -75.8(17) . . . . ?
C4_2 C1_2 C3_2 F5_2 167.8(15) . . . . ?
C2_2 C1_2 C3_2 F5_2 46.1(17) . . . . ?
F6_2 C3_2 F4_2 Ag04 155.5(9) . . . . ?
F5_2 C3_2 F4_2 Ag04 41.1(15) . . . . ?
C1_2 C3_2 F4_2 Ag04 -77.6(12) . . . . ?
O1_2 C1_2 C4_2 F7_2 -70.4(12) . . . . ?
C3_2 C1_2 C4_2 F7_2 46.5(14) . . . . ?
C2_2 C1_2 C4_2 F7_2 167.1(10) . . . . ?
O1_2 C1_2 C4_2 F9_2 52.8(12) . . . . ?
C3_2 C1_2 C4_2 F9_2 169.8(10) . . . . ?
C2_2 C1_2 C4_2 F9_2 -69.7(13) . . . . ?
O1_2 C1_2 C4_2 F8_2 172.7(10) . . . . ?
C3_2 C1_2 C4_2 F8_2 -70.3(12) . . . . ?
C2_2 C1_2 C4_2 F8_2 50.2(13) . . . . ?
O1_18 Al2 O1_3 C1_3 -38.7(16) . . . . ?
O1_14 Al2 O1_3 C1_3 89.5(13) . . . . ?
O1_13 Al2 O1_3 C1_3 -171.0(13) . . . . ?
Ag03 Al2 O1_3 C1_3 144.8(14) . . . . ?
Al2 O1_3 C1_3 C2_3 -63.6(15) . . . . ?
Al2 O1_3 C1_3 C4_3 58.9(16) . . . . ?
Al2 O1_3 C1_3 C3_3 175.4(10) . . . . ?
O1_3 C1_3 C2_3 F2_3 47.9(12) . . . . ?
C4_3 C1_3 C2_3 F2_3 -74.3(13) . . . . ?
C3_3 C1_3 C2_3 F2_3 166.1(10) . . . . ?
O1_3 C1_3 C2_3 F3_3 -70.5(12) . . . . ?
C4_3 C1_3 C2_3 F3_3 167.3(11) . . . . ?
C3_3 C1_3 C2_3 F3_3 47.8(14) . . . . ?
O1_3 C1_3 C2_3 F1_3 173.1(10) . . . . ?
C4_3 C1_3 C2_3 F1_3 50.9(13) . . . . ?
C3_3 C1_3 C2_3 F1_3 -68.6(12) . . . . ?
O1_3 C1_3 C3_3 F6_3 -70.8(11) . . . . ?
C2_3 C1_3 C3_3 F6_3 170.8(9) . . . . ?
C4_3 C1_3 C3_3 F6_3 48.5(12) . . . . ?
O1_3 C1_3 C3_3 F5_3 167.6(9) . . . . ?
C2_3 C1_3 C3_3 F5_3 49.2(12) . . . . ?
C4_3 C1_3 C3_3 F5_3 -73.1(11) . . . . ?
O1_3 C1_3 C3_3 F4_3 49.1(11) . . . . ?
C2_3 C1_3 C3_3 F4_3 -69.4(12) . . . . ?
C4_3 C1_3 C3_3 F4_3 168.4(10) . . . . ?
O1_3 C1_3 C4_3 F7_3 -79.5(11) . . . . ?
C2_3 C1_3 C4_3 F7_3 40.9(13) . . . . ?
C3_3 C1_3 C4_3 F7_3 163.5(9) . . . . ?
O1_3 C1_3 C4_3 F8_3 38.2(12) . . . . ?
C2_3 C1_3 C4_3 F8_3 158.6(10) . . . . ?
C3_3 C1_3 C4_3 F8_3 -78.9(12) . . . . ?
O1_3 C1_3 C4_3 F9_3 159.7(11) . . . . ?
C2_3 C1_3 C4_3 F9_3 -79.9(13) . . . . ?
C3_3 C1_3 C4_3 F9_3 42.6(14) . . . . ?
O1_19 Al2 O1_4 C1_4 -111.4(17) . . . . ?
O1_14 Al2 O1_4 C1_4 20.7(17) . . . . ?
O1_13 Al2 O1_4 C1_4 128.1(16) . . . . ?
Ag03 Al2 O1_4 C1_4 80.7(16) . . . . ?
Al2 O1_4 C1_4 C2_4 43.9(19) . . . . ?
Al2 O1_4 C1_4 C4_4 -76.4(17) . . . . ?
Al2 O1_4 C1_4 C3_4 164.3(14) . . . . ?
O1_4 C1_4 C2_4 F1_4 -40.9(10) . . . . ?
C4_4 C1_4 C2_4 F1_4 80.0(10) . . . . ?
C3_4 C1_4 C2_4 F1_4 -160.3(8) . . . . ?
O1_4 C1_4 C2_4 F2_4 -164.3(8) . . . . ?
C4_4 C1_4 C2_4 F2_4 -43.5(10) . . . . ?
C3_4 C1_4 C2_4 F2_4 76.2(10) . . . . ?
O1_4 C1_4 C2_4 F3_4 77.7(9) . . . . ?
C4_4 C1_4 C2_4 F3_4 -161.5(8) . . . . ?
C3_4 C1_4 C2_4 F3_4 -41.8(10) . . . . ?
O1_4 C1_4 C3_4 F5_4 -46.5(11) . . . . ?
C2_4 C1_4 C3_4 F5_4 74.5(11) . . . . ?
C4_4 C1_4 C3_4 F5_4 -166.1(9) . . . . ?
O1_4 C1_4 C3_4 F4_4 73.9(9) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.2(8) . . . . ?
C4_4 C1_4 C3_4 F4_4 -45.7(11) . . . . ?
O1_4 C1_4 C3_4 F6_4 -170.6(9) . . . . ?
C2_4 C1_4 C3_4 F6_4 -49.7(11) . . . . ?
C4_4 C1_4 C3_4 F6_4 69.7(11) . . . . ?
O1_4 C1_4 C4_4 F9_4 72.2(11) . . . . ?
C2_4 C1_4 C4_4 F9_4 -49.2(12) . . . . ?
C3_4 C1_4 C4_4 F9_4 -169.2(9) . . . . ?
O1_4 C1_4 C4_4 F8_4 -163.8(8) . . . . ?
C2_4 C1_4 C4_4 F8_4 74.8(10) . . . . ?
C3_4 C1_4 C4_4 F8_4 -45.2(11) . . . . ?
O1_4 C1_4 C4_4 F7_4 -42.1(10) . . . . ?
C2_4 C1_4 C4_4 F7_4 -163.4(8) . . . . ?
C3_4 C1_4 C4_4 F7_4 76.6(10) . . . . ?
F9_4 C4_4 F7_4 Ag03 -33.0(10) . . . . ?
F8_4 C4_4 F7_4 Ag03 -150.1(7) . . . . ?
C1_4 C4_4 F7_4 Ag03 84.9(8) . . . . ?
O1_14 Al2 O1_18 C1_18 -126.3(17) . . . . ?
O1_13 Al2 O1_18 C1_18 123.1(17) . . . . ?
O1_3 Al2 O1_18 C1_18 -3(2) . . . . ?
Ag03 Al2 O1_18 C1_18 166.4(12) . . . . ?
Al2 O1_18 C1_18 C2_18 -32(2) . . . . ?
Al2 O1_18 C1_18 C3_18 87.7(18) . . . . ?
Al2 O1_18 C1_18 C4_18 -152.0(16) . . . . ?
O1_18 C1_18 C2_18 F2_18 80.3(10) . . . . ?
C3_18 C1_18 C2_18 F2_18 -41.6(11) . . . . ?
C4_18 C1_18 C2_18 F2_18 -159.3(8) . . . . ?
O1_18 C1_18 C2_18 F1_18 -34.9(11) . . . . ?
C3_18 C1_18 C2_18 F1_18 -156.7(8) . . . . ?
C4_18 C1_18 C2_18 F1_18 85.5(10) . . . . ?
O1_18 C1_18 C2_18 F3_18 -156.4(9) . . . . ?
C3_18 C1_18 C2_18 F3_18 81.7(11) . . . . ?
C4_18 C1_18 C2_18 F3_18 -36.0(12) . . . . ?
O1_18 C1_18 C3_18 F6_18 74.8(9) . . . . ?
C2_18 C1_18 C3_18 F6_18 -164.0(8) . . . . ?
C4_18 C1_18 C3_18 F6_18 -45.9(10) . . . . ?
O1_18 C1_18 C3_18 F4_18 -42.1(10) . . . . ?
C2_18 C1_18 C3_18 F4_18 79.1(9) . . . . ?
C4_18 C1_18 C3_18 F4_18 -162.9(8) . . . . ?
O1_18 C1_18 C3_18 F5_18 -164.8(8) . . . . ?
C2_18 C1_18 C3_18 F5_18 -43.6(10) . . . . ?
C4_18 C1_18 C3_18 F5_18 74.4(10) . . . . ?
O1_18 C1_18 C4_18 F8_18 78.8(11) . . . . ?
C2_18 C1_18 C4_18 F8_18 -42.3(12) . . . . ?
C3_18 C1_18 C4_18 F8_18 -159.3(10) . . . . ?
O1_18 C1_18 C4_18 F9_18 -41.7(10) . . . . ?
C2_18 C1_18 C4_18 F9_18 -162.7(8) . . . . ?
C3_18 C1_18 C4_18 F9_18 80.3(10) . . . . ?
O1_18 C1_18 C4_18 F7_18 -164.1(8) . . . . ?
C2_18 C1_18 C4_18 F7_18 74.9(10) . . . . ?
C3_18 C1_18 C4_18 F7_18 -42.1(10) . . . . ?
O1_4 Al2 O1_19 C1_19 129(4) . . . . ?
O1_14 Al2 O1_19 C1_19 13(4) . . . . ?
O1_13 Al2 O1_19 C1_19 -117(4) . . . . ?
Ag03 Al2 O1_19 C1_19 -166(2) . . . . ?
Al2 O1_19 C1_19 C4_19 67(4) . . . . ?
Al2 O1_19 C1_19 C2_19 -170(4) . . . . ?
Al2 O1_19 C1_19 C3_19 -52(4) . . . . ?
O1_19 C1_19 C2_19 F1_19 -43.7(15) . . . . ?
C4_19 C1_19 C2_19 F1_19 78.6(16) . . . . ?
C3_19 C1_19 C2_19 F1_19 -160.7(13) . . . . ?
O1_19 C1_19 C2_19 F2_19 -166.0(15) . . . . ?
C4_19 C1_19 C2_19 F2_19 -43.7(18) . . . . ?
C3_19 C1_19 C2_19 F2_19 76.9(16) . . . . ?
O1_19 C1_19 C2_19 F3_19 72.8(16) . . . . ?
C4_19 C1_19 C2_19 F3_19 -164.9(14) . . . . ?
C3_19 C1_19 C2_19 F3_19 -44.2(17) . . . . ?
O1_19 C1_19 C3_19 F5_19 -37.1(16) . . . . ?
C4_19 C1_19 C3_19 F5_19 -157.6(13) . . . . ?
C2_19 C1_19 C3_19 F5_19 79.6(16) . . . . ?
O1_19 C1_19 C3_19 F6_19 -155.1(13) . . . . ?
C4_19 C1_19 C3_19 F6_19 84.4(15) . . . . ?
C2_19 C1_19 C3_19 F6_19 -38.4(16) . . . . ?
O1_19 C1_19 C3_19 F4_19 84.0(14) . . . . ?
C4_19 C1_19 C3_19 F4_19 -36.5(17) . . . . ?
C2_19 C1_19 C3_19 F4_19 -159.3(13) . . . . ?
O1_19 C1_19 C4_19 F9_19 75.9(17) . . . . ?
C2_19 C1_19 C4_19 F9_19 -44.5(19) . . . . ?
C3_19 C1_19 C4_19 F9_19 -165.3(16) . . . . ?
O1_19 C1_19 C4_19 F8_19 -162.2(13) . . . . ?
C2_19 C1_19 C4_19 F8_19 77.4(16) . . . . ?
C3_19 C1_19 C4_19 F8_19 -43.4(17) . . . . ?
O1_19 C1_19 C4_19 F7_19 -39.4(17) . . . . ?
C2_19 C1_19 C4_19 F7_19 -159.9(14) . . . . ?
C3_19 C1_19 C4_19 F7_19 79.4(16) . . . . ?

_refine_diff_density_max         0.693
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.074

####################################################################### 
# 
# 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_Cu(DCM)3_AlFAl_Tricl_a
_database_code_depnum_ccdc_archive 'CCDC 2033578'
loop_
_audit_author_name
_audit_author_address
'Przemyslaw Malinowski'
;University of Warsaw
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H6 Al2 Cl6 Cu F55 O6'
_chemical_formula_weight         1801.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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                   10.30960(10)
_cell_length_b                   10.30940(10)
_cell_length_c                   25.3144(4)
_cell_angle_alpha                86.0420(10)
_cell_angle_beta                 86.0630(10)
_cell_angle_gamma                83.4930(10)
_cell_volume                     2661.82(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    41816
_cell_measurement_theta_min      3.4810
_cell_measurement_theta_max      75.1760

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.248
_exptl_crystal_F_000             1736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.469
_exptl_crystal_size_mid          0.295
_exptl_crystal_size_min          0.155
_shelx_estimated_absorpt_T_min   0.167
_shelx_estimated_absorpt_T_max   0.460
_exptl_absorpt_coefficient_mu    5.935
_exptl_absorpt_correction_T_min  0.170
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.509
_oxdiff_exptl_absorpt_empirical_full_max 2.884
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58349
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.507
_diffrn_reflns_theta_max         75.551
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10868
_reflns_number_gt                10568
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ShelxLe-1008
_computing_publication_material  'Vesta (Momma, Izumi, 2011)'
_refine_special_details          
;
 Refined as a 2-component 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)+(0.1083P)²+4.3856P] 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         10868
_refine_ls_number_parameters     1301
_refine_ls_number_restraints     5588
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0614
_refine_ls_wR_factor_ref         0.1691
_refine_ls_wR_factor_gt          0.1677
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      0.965
_refine_ls_shift/su_max          0.009
_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_8 O 0.3398(13) 0.4339(12) 0.5822(6) 0.025(2) Uani 0.509(6) 1 d D U P A 2
C1_8 C 0.2584(9) 0.3840(9) 0.6209(3) 0.0312(14) Uani 0.509(6) 1 d D U P A 2
C2_8 C 0.3376(10) 0.2884(9) 0.6597(3) 0.049(2) Uani 0.509(6) 1 d D U P A 2
F1_8 F 0.3942(15) 0.1869(12) 0.6353(5) 0.078(4) Uani 0.509(6) 1 d D U P A 2
F2_8 F 0.2614(12) 0.2433(12) 0.6989(4) 0.077(3) Uani 0.509(6) 1 d D U P A 2
F3_8 F 0.4249(16) 0.3475(18) 0.6821(9) 0.102(4) Uani 0.509(6) 1 d D U P A 2
C3_8 C 0.1904(9) 0.4987(8) 0.6526(4) 0.049(2) Uani 0.509(6) 1 d D U P A 2
F4_8 F 0.1103(12) 0.5779(10) 0.6241(3) 0.100(4) Uani 0.509(6) 1 d D U P A 2
F5_8 F 0.1161(8) 0.4599(8) 0.6929(3) 0.0567(19) Uani 0.509(6) 1 d D U P A 2
F6_8 F 0.2766(11) 0.5662(16) 0.6701(6) 0.132(6) Uani 0.509(6) 1 d D U P A 2
C4_8 C 0.1533(10) 0.3158(9) 0.5957(4) 0.037(2) Uani 0.509(6) 1 d D U P A 2
F7_8 F 0.0750(10) 0.4038(9) 0.5714(6) 0.090(4) Uani 0.509(6) 1 d D U P A 2
F8_8 F 0.2044(9) 0.2242(10) 0.5653(5) 0.089(4) Uani 0.509(6) 1 d D U P A 2
F9_8 F 0.0776(15) 0.2601(15) 0.6328(4) 0.105(5) Uani 0.509(6) 1 d D U P A 2
O1_7 O 0.410(3) 0.428(4) 0.9114(12) 0.0270(7) Uani 0.297(8) 1 d D U P B 2
C1_7 C 0.3439(14) 0.3730(13) 0.8758(6) 0.0249(8) Uani 0.297(8) 1 d D U P B 2
C2_7 C 0.2524(11) 0.4789(11) 0.8462(4) 0.030(3) Uani 0.297(8) 1 d D U P B 2
F1_7 F 0.1449(13) 0.5168(15) 0.8755(6) 0.039(3) Uani 0.297(8) 1 d D U P B 2
F2_7 F 0.2129(18) 0.443(2) 0.8013(7) 0.043(4) Uani 0.297(8) 1 d D U P B 2
F3_7 F 0.314(2) 0.5857(16) 0.8362(9) 0.044(4) Uani 0.297(8) 1 d D U P B 2
C3_7 C 0.4423(12) 0.3022(12) 0.8357(4) 0.032(3) Uani 0.297(8) 1 d D U P B 2
F4_7 F 0.5412(19) 0.237(3) 0.8598(12) 0.0455(9) Uani 0.297(8) 1 d D U P B 2
F5_7 F 0.492(2) 0.3876(19) 0.8000(9) 0.055(5) Uani 0.297(8) 1 d D U P B 2
F6_7 F 0.3866(17) 0.2186(14) 0.8090(6) 0.041(3) Uani 0.297(8) 1 d D U P B 2
C4_7 C 0.2596(13) 0.2719(12) 0.9061(5) 0.039(3) Uani 0.297(8) 1 d D U P B 2
F7_7 F 0.3363(15) 0.1668(12) 0.9212(6) 0.047(3) Uani 0.297(8) 1 d D U P B 2
F8_7 F 0.171(2) 0.238(2) 0.8755(11) 0.050(5) Uani 0.297(8) 1 d D U P B 2
F9_7 F 0.197(3) 0.323(3) 0.9482(8) 0.0540(10) Uani 0.297(8) 1 d D U P B 2
O1_6 O 0.4141(15) 0.4240(15) 0.9115(5) 0.0270(7) Uani 0.703(8) 1 d D U P B 1
C1_6 C 0.3479(7) 0.3683(7) 0.8760(3) 0.0249(8) Uani 0.703(8) 1 d D U P B 1
C2_6 C 0.2038(6) 0.3578(7) 0.8983(3) 0.0362(14) Uani 0.703(8) 1 d D U P B 1
F1_6 F 0.2019(15) 0.3229(14) 0.9493(3) 0.0540(10) Uani 0.703(8) 1 d D U P B 1
F2_6 F 0.1443(10) 0.2740(9) 0.8734(5) 0.048(2) Uani 0.703(8) 1 d D U P B 1
F3_6 F 0.1321(7) 0.4730(7) 0.8920(4) 0.057(2) Uani 0.703(8) 1 d D U P B 1
C3_6 C 0.3472(7) 0.4486(7) 0.8223(3) 0.0464(18) Uani 0.703(8) 1 d D U P B 1
F4_6 F 0.4610(9) 0.4267(10) 0.7950(4) 0.066(3) Uani 0.703(8) 1 d D U P B 1
F5_6 F 0.3281(14) 0.5767(8) 0.8294(6) 0.073(4) Uani 0.703(8) 1 d D U P B 1
F6_6 F 0.2523(9) 0.4242(13) 0.7930(3) 0.060(3) Uani 0.703(8) 1 d D U P B 1
C4_6 C 0.4153(6) 0.2287(6) 0.8679(2) 0.0346(14) Uani 0.703(8) 1 d D U P B 1
F7_6 F 0.5436(8) 0.2290(14) 0.8606(5) 0.0455(9) Uani 0.703(8) 1 d D U P B 1
F8_6 F 0.3708(9) 0.1762(8) 0.8265(3) 0.0525(19) Uani 0.703(8) 1 d D U P B 1
F9_6 F 0.3944(7) 0.1492(5) 0.9100(3) 0.0472(15) Uani 0.703(8) 1 d D U P B 1
O1_5 O 0.2826(3) 0.6500(3) 0.95841(12) 0.0252(6) Uani 1 1 d D U . . .
C1_5 C 0.2134(4) 0.7676(4) 0.96749(15) 0.0232(8) Uani 1 1 d D U . . .
C2_5 C 0.0824(4) 0.7405(4) 0.99781(16) 0.0265(8) Uani 1 1 d D U . . .
F1_5 F 0.0326(3) 0.6445(3) 0.97669(12) 0.0362(6) Uani 1 1 d D U . . .
F2_5 F -0.0056(3) 0.8461(3) 0.99575(11) 0.0340(6) Uani 1 1 d D U . . .
F3_5 F 0.1002(3) 0.7052(3) 1.04855(10) 0.0328(6) Uani 1 1 d D U . . .
C3_5 C 0.2897(4) 0.8483(4) 1.00215(18) 0.0290(9) Uani 1 1 d D U . . .
F4_5 F 0.3827(3) 0.9055(3) 0.97290(14) 0.0419(7) Uani 1 1 d D U . . .
F5_5 F 0.3496(3) 0.7710(3) 1.03894(12) 0.0405(7) Uani 1 1 d D U . . .
F6_5 F 0.2120(3) 0.9410(3) 1.02631(13) 0.0409(7) Uani 1 1 d D U . . .
C4_5 C 0.1853(4) 0.8482(5) 0.91446(18) 0.0339(9) Uani 1 1 d D U . . .
F7_5 F 0.2935(3) 0.8430(3) 0.88198(12) 0.0420(7) Uani 1 1 d D U . . .
F8_5 F 0.1438(3) 0.9722(3) 0.92121(13) 0.0449(7) Uani 1 1 d D U . . .
F9_5 F 0.0956(3) 0.7969(4) 0.88943(12) 0.0449(7) Uani 1 1 d D U . . .
O1_4 O 0.5318(3) 0.6678(3) 0.90991(12) 0.0259(6) Uani 1 1 d D U . . .
C1_4 C 0.6504(4) 0.6943(4) 0.88805(15) 0.0239(8) Uani 1 1 d D U . . .
C2_4 C 0.6421(5) 0.7189(5) 0.82728(18) 0.0387(11) Uani 1 1 d D U . . .
F1_4 F 0.6450(4) 0.6066(4) 0.80448(13) 0.0542(9) Uani 1 1 d D U . . .
F2_4 F 0.7431(3) 0.7807(4) 0.80537(13) 0.0538(9) Uani 1 1 d D U . . .
F3_4 F 0.5338(3) 0.7932(4) 0.81530(13) 0.0476(8) Uani 1 1 d D U . . .
C3_4 C 0.6889(4) 0.8184(4) 0.91218(19) 0.0341(9) Uani 1 1 d D U . . .
F4_4 F 0.6628(3) 0.8131(3) 0.96385(12) 0.0412(7) Uani 1 1 d D U . . .
F5_4 F 0.6210(3) 0.9260(3) 0.89174(15) 0.0458(8) Uani 1 1 d D U . . .
F6_4 F 0.8151(3) 0.8309(3) 0.90293(15) 0.0459(8) Uani 1 1 d D U . . .
C4_4 C 0.7555(4) 0.5771(4) 0.90028(18) 0.0299(9) Uani 1 1 d D U . . .
F7_4 F 0.7851(3) 0.5739(3) 0.95085(12) 0.0376(6) Uani 1 1 d D U . . .
F8_4 F 0.8647(3) 0.5812(3) 0.86932(14) 0.0442(7) Uani 1 1 d D U . . .
F9_4 F 0.7070(3) 0.4650(3) 0.89355(14) 0.0396(7) Uani 1 1 d D U . . .
O1_3 O 0.3576(19) 0.717(2) 0.5423(6) 0.0303(19) Uani 0.353(3) 1 d D U P A 1
C1_3 C 0.2492(13) 0.7981(12) 0.5290(4) 0.0404(12) Uani 0.353(3) 1 d D U P A 1
C2_3 C 0.1689(12) 0.7318(11) 0.4915(5) 0.047(3) Uani 0.353(3) 1 d D U P A 1
F1_3 F 0.2415(10) 0.6803(12) 0.4505(5) 0.062(3) Uani 0.353(3) 1 d D U P A 1
F2_3 F 0.0766(18) 0.8189(18) 0.4699(7) 0.061(5) Uani 0.353(3) 1 d D U P A 1
F3_3 F 0.1053(15) 0.6429(11) 0.5188(7) 0.061(4) Uani 0.353(3) 1 d D U P A 1
C3_3 C 0.1797(15) 0.8374(14) 0.5826(5) 0.077(4) Uani 0.353(3) 1 d D U P A 1
F4_3 F 0.242(2) 0.9266(16) 0.6021(7) 0.083(3) Uani 0.353(3) 1 d D U P A 1
F5_3 F 0.179(2) 0.7376(17) 0.6199(7) 0.121(8) Uani 0.353(3) 1 d D U P A 1
F6_3 F 0.0557(13) 0.8728(18) 0.5774(6) 0.088(5) Uani 0.353(3) 1 d D U P A 1
C4_3 C 0.2825(11) 0.9245(11) 0.4972(4) 0.0404(12) Uani 0.353(3) 1 d D U P A 1
F7_3 F 0.3976(11) 0.9593(10) 0.5126(5) 0.059(3) Uani 0.353(3) 1 d D U P A 1
F8_3 F 0.1786(16) 1.0160(18) 0.4981(8) 0.055(5) Uani 0.353(3) 1 d D U P A 1
F9_3 F 0.3077(14) 0.9124(17) 0.4461(5) 0.062(3) Uani 0.353(3) 1 d D U P A 1
O1_2 O 0.5534(4) 0.5665(4) 0.59945(15) 0.0396(8) Uani 1 1 d D U . . .
C1_2 C 0.6388(4) 0.6314(4) 0.62253(17) 0.0299(9) Uani 1 1 d D U . . .
C2_2 C 0.7322(6) 0.6945(5) 0.5799(2) 0.0462(12) Uani 1 1 d D U . . .
F1_2 F 0.8172(6) 0.6038(5) 0.5592(2) 0.0920(18) Uani 1 1 d D U . . .
F2_2 F 0.7968(4) 0.7819(5) 0.59806(18) 0.0684(12) Uani 1 1 d D U . . .
F3_2 F 0.6640(6) 0.7515(6) 0.54015(18) 0.096(2) Uani 1 1 d D U . . .
C3_2 C 0.5674(6) 0.7402(6) 0.6557(3) 0.0558(15) Uani 1 1 d D U . . .
F4_2 F 0.4678(6) 0.6950(6) 0.6845(3) 0.115(3) Uani 1 1 d D U . . .
F5_2 F 0.5250(5) 0.8436(4) 0.6248(3) 0.0863(16) Uani 1 1 d D U . . .
F6_2 F 0.6420(5) 0.7840(5) 0.68944(17) 0.0721(12) Uani 1 1 d D U . . .
C4_2 C 0.7201(5) 0.5310(5) 0.6594(2) 0.0450(12) Uani 1 1 d D U . . .
F7_2 F 0.6476(5) 0.4961(6) 0.70201(15) 0.0766(14) Uani 1 1 d D U . . .
F8_2 F 0.8216(5) 0.5816(5) 0.6769(2) 0.0818(16) Uani 1 1 d D U . . .
F9_2 F 0.7645(5) 0.4251(4) 0.6357(2) 0.0707(11) Uani 1 1 d D U . . .
O1_1 O 0.3113(14) 0.4639(12) 0.5835(6) 0.025(2) Uani 0.491(6) 1 d D U P A 1
C1_1 C 0.2932(9) 0.3562(9) 0.6157(3) 0.0312(14) Uani 0.491(6) 1 d D U P A 1
C2_1 C 0.1573(10) 0.3171(10) 0.6046(4) 0.043(3) Uani 0.491(6) 1 d D U P A 1
F1_1 F 0.0655(7) 0.3982(9) 0.6273(4) 0.066(2) Uani 0.491(6) 1 d D U P A 1
F2_1 F 0.1359(11) 0.2002(8) 0.6257(5) 0.061(3) Uani 0.491(6) 1 d D U P A 1
F3_1 F 0.1405(10) 0.3258(12) 0.5539(3) 0.067(3) Uani 0.491(6) 1 d D U P A 1
C3_1 C 0.4004(8) 0.2421(9) 0.6049(4) 0.040(2) Uani 0.491(6) 1 d D U P A 1
F4_1 F 0.5195(7) 0.2789(8) 0.5997(4) 0.060(2) Uani 0.491(6) 1 d D U P A 1
F5_1 F 0.3862(11) 0.1940(10) 0.5588(3) 0.084(3) Uani 0.491(6) 1 d D U P A 1
F6_1 F 0.3986(13) 0.1418(8) 0.6404(4) 0.048(2) Uani 0.491(6) 1 d D U P A 1
C4_1 C 0.2937(10) 0.3850(8) 0.6747(3) 0.041(2) Uani 0.491(6) 1 d D U P A 1
F7_1 F 0.4176(14) 0.3842(19) 0.6886(9) 0.102(4) Uani 0.491(6) 1 d D U P A 1
F8_1 F 0.2418(10) 0.3015(8) 0.7087(3) 0.046(2) Uani 0.491(6) 1 d D U P A 1
F9_1 F 0.2444(14) 0.5028(7) 0.6844(3) 0.076(3) Uani 0.491(6) 1 d D U P A 1
C1 C 0.7116(8) 1.1058(7) 0.6755(3) 0.0626(18) Uani 1 1 d . . . . .
H1A H 0.715471 1.199470 0.664638 0.075 Uiso 1 1 calc R U . . .
H1AB H 0.655910 1.069519 0.651121 0.075 Uiso 1 1 calc R U . . .
F1 F 0.500000 0.500000 1.000000 0.0242(7) Uani 1 2 d S . P B .
Cl1 Cl 1.20556(19) 0.9764(2) 0.73925(9) 0.0702(5) Uani 1 1 d . . . . .
Al1 Al 0.42904(11) 0.56558(11) 0.94077(4) 0.0186(2) Uani 1 1 d . . . . .
Al2 Al 0.42784(13) 0.56152(13) 0.55964(5) 0.0234(2) Uani 1 1 d . . . . .
Cl2 Cl 0.93527(19) 1.29982(17) 0.75980(7) 0.0586(4) Uani 1 1 d . . . . .
C2 C 1.2057(8) 0.8055(8) 0.7510(3) 0.0657(19) Uani 1 1 d . . . . .
H2A H 1.249908 0.760936 0.720160 0.079 Uiso 1 1 calc R U . . .
H2AB H 1.255279 0.775797 0.782539 0.079 Uiso 1 1 calc R U . . .
F2 F 0.500000 0.500000 0.500000 0.0273(7) Uani 1 2 d S . P A .
Cl5 Cl 0.8712(2) 1.0218(2) 0.67080(9) 0.0723(5) Uani 1 1 d . . . . .
Cl4 Cl 0.64226(18) 1.0910(2) 0.74034(7) 0.0635(4) Uani 1 1 d . . . . .
C3 C 0.8618(6) 1.2552(7) 0.8220(2) 0.0467(13) Uani 1 1 d . . . . .
H3A H 0.765590 1.274714 0.821497 0.056 Uiso 1 1 calc R U . . .
H3AB H 0.892323 1.306277 0.849549 0.056 Uiso 1 1 calc R U . . .
Cl6 Cl 1.04708(19) 0.76309(17) 0.76123(7) 0.0599(4) Uani 1 1 d . . . . .
Cl7 Cl 0.9033(2) 1.08484(18) 0.83750(7) 0.0638(5) Uani 1 1 d . . . . .
Cu2 Cu 0.9720(7) 1.0449(8) 0.7452(3) 0.0467(5) Uani 0.202(5) 1 d . U P C 2
Cu1 Cu 0.94106(18) 0.9981(2) 0.75640(7) 0.0467(5) Uani 0.798(5) 1 d . U P C 1
O1_9 O 0.3429(19) 0.7024(19) 0.5509(7) 0.0303(19) Uani 0.355(3) 1 d D U P A 2
C1_9 C 0.2756(12) 0.7938(11) 0.5184(5) 0.0404(12) Uani 0.355(3) 1 d D U P A 2
C2_9 C 0.2392(15) 0.9159(12) 0.5501(5) 0.070(4) Uani 0.355(3) 1 d D U P A 2
F1_9 F 0.222(2) 0.8894(17) 0.6011(6) 0.083(3) Uani 0.355(3) 1 d D U P A 2
F2_9 F 0.1419(14) 0.9995(12) 0.5338(6) 0.065(4) Uani 0.355(3) 1 d D U P A 2
F3_9 F 0.3484(17) 0.9778(16) 0.5438(9) 0.097(5) Uani 0.355(3) 1 d D U P A 2
C3_9 C 0.3614(13) 0.8226(13) 0.4667(5) 0.072(4) Uani 0.355(3) 1 d D U P A 2
F4_9 F 0.4845(10) 0.8180(14) 0.4746(5) 0.077(3) Uani 0.355(3) 1 d D U P A 2
F5_9 F 0.3276(14) 0.9438(12) 0.4480(7) 0.068(4) Uani 0.355(3) 1 d D U P A 2
F6_9 F 0.3624(18) 0.7314(13) 0.4320(5) 0.092(4) Uani 0.355(3) 1 d D U P A 2
C4_9 C 0.1532(14) 0.7408(17) 0.5003(6) 0.062(4) Uani 0.355(3) 1 d D U P A 2
F7_9 F 0.173(3) 0.6146(17) 0.4935(13) 0.103(8) Uani 0.355(3) 1 d D U P A 2
F8_9 F 0.110(3) 0.809(3) 0.4571(9) 0.084(7) Uani 0.355(3) 1 d D U P A 2
F9_9 F 0.0572(18) 0.753(2) 0.5372(7) 0.106(5) Uani 0.355(3) 1 d D U P A 2
O1_10 O 0.3420(18) 0.7032(19) 0.5324(8) 0.0303(19) Uani 0.291(3) 1 d D U P A 3
C1_10 C 0.2340(14) 0.7915(14) 0.5344(5) 0.0404(12) Uani 0.291(3) 1 d D U P A 3
C2_10 C 0.1639(13) 0.7946(14) 0.5906(5) 0.060(4) Uani 0.291(3) 1 d D U P A 3
F1_10 F 0.0955(12) 0.6913(13) 0.5966(8) 0.097(6) Uani 0.291(3) 1 d D U P A 3
F2_10 F 0.0912(19) 0.9079(16) 0.5971(5) 0.078(6) Uani 0.291(3) 1 d D U P A 3
F3_10 F 0.2581(14) 0.7847(17) 0.6255(4) 0.067(4) Uani 0.291(3) 1 d D U P A 3
C3_10 C 0.2686(13) 0.9304(13) 0.5179(5) 0.0404(12) Uani 0.291(3) 1 d D U P A 3
F4_10 F 0.3573(13) 0.9183(17) 0.4769(6) 0.062(3) Uani 0.291(3) 1 d D U P A 3
F5_10 F 0.326(2) 0.978(3) 0.5576(9) 0.104(8) Uani 0.291(3) 1 d D U P A 3
F6_10 F 0.1602(15) 1.007(2) 0.5048(12) 0.053(6) Uani 0.291(3) 1 d D U P A 3
C4_10 C 0.1391(15) 0.7533(18) 0.4943(6) 0.059(4) Uani 0.291(3) 1 d D U P A 3
F7_10 F 0.182(2) 0.797(3) 0.4461(6) 0.119(9) Uani 0.291(3) 1 d D U P A 3
F8_10 F 0.0156(12) 0.8007(13) 0.5080(8) 0.065(4) Uani 0.291(3) 1 d D U P A 3
F9_10 F 0.141(3) 0.6242(17) 0.4982(14) 0.083(8) Uani 0.291(3) 1 d D U P A 3


_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_8 C1_8 1.358(9) . ?
O1_8 Al2 1.726(12) . ?
C1_8 C2_8 1.548(10) . ?
C1_8 C3_8 1.550(10) . ?
C1_8 C4_8 1.551(10) . ?
C2_8 F1_8 1.312(10) . ?
C2_8 F2_8 1.316(9) . ?
C2_8 F3_8 1.321(10) . ?
C3_8 F5_8 1.300(9) . ?
C3_8 F6_8 1.306(9) . ?
C3_8 F4_8 1.311(10) . ?
C4_8 F7_8 1.295(10) . ?
C4_8 F8_8 1.302(9) . ?
C4_8 F9_8 1.323(10) . ?
O1_7 C1_7 1.359(11) . ?
O1_7 Al1 1.68(3) . ?
C1_7 C3_7 1.545(12) . ?
C1_7 C2_7 1.546(12) . ?
C1_7 C4_7 1.560(12) . ?
C2_7 F2_7 1.324(10) . ?
C2_7 F1_7 1.327(11) . ?
C2_7 F3_7 1.331(11) . ?
C3_7 F4_7 1.319(11) . ?
C3_7 F6_7 1.331(10) . ?
C3_7 F5_7 1.332(11) . ?
C4_7 F9_7 1.315(11) . ?
C4_7 F7_7 1.318(11) . ?
C4_7 F8_7 1.329(11) . ?
O1_6 C1_6 1.359(7) . ?
O1_6 Al1 1.709(11) . ?
C1_6 C3_6 1.543(8) . ?
C1_6 C4_6 1.546(8) . ?
C1_6 C2_6 1.565(8) . ?
C2_6 F1_6 1.313(9) . ?
C2_6 F2_6 1.330(7) . ?
C2_6 F3_6 1.332(8) . ?
C3_6 F6_6 1.323(8) . ?
C3_6 F4_6 1.326(9) . ?
C3_6 F5_6 1.335(9) . ?
C4_6 F9_6 1.320(8) . ?
C4_6 F7_6 1.323(9) . ?
C4_6 F8_6 1.343(7) . ?
O1_5 C1_5 1.361(5) . ?
O1_5 Al1 1.703(3) . ?
C1_5 C2_5 1.551(5) . ?
C1_5 C4_5 1.556(5) . ?
C1_5 C3_5 1.557(5) . ?
C2_5 F1_5 1.325(5) . ?
C2_5 F3_5 1.330(5) . ?
C2_5 F2_5 1.336(5) . ?
C3_5 F5_5 1.323(5) . ?
C3_5 F6_5 1.330(5) . ?
C3_5 F4_5 1.336(5) . ?
C4_5 F8_5 1.321(5) . ?
C4_5 F9_5 1.332(5) . ?
C4_5 F7_5 1.338(5) . ?
O1_4 C1_4 1.356(5) . ?
O1_4 Al1 1.694(3) . ?
C1_4 C2_4 1.548(6) . ?
C1_4 C3_4 1.557(5) . ?
C1_4 C4_4 1.558(5) . ?
C2_4 F3_4 1.321(6) . ?
C2_4 F1_4 1.326(6) . ?
C2_4 F2_4 1.349(5) . ?
C3_4 F4_4 1.316(5) . ?
C3_4 F6_4 1.325(5) . ?
C3_4 F5_4 1.335(5) . ?
C4_4 F8_4 1.330(5) . ?
C4_4 F7_4 1.333(5) . ?
C4_4 F9_4 1.336(5) . ?
O1_3 C1_3 1.365(10) . ?
O1_3 Al2 1.724(17) . ?
C1_3 C2_3 1.543(11) . ?
C1_3 C4_3 1.544(11) . ?
C1_3 C3_3 1.548(11) . ?
C2_3 F3_3 1.318(11) . ?
C2_3 F1_3 1.341(11) . ?
C2_3 F2_3 1.350(10) . ?
C3_3 F6_3 1.302(11) . ?
C3_3 F4_3 1.323(11) . ?
C3_3 F5_3 1.347(11) . ?
C4_3 F9_3 1.313(11) . ?
C4_3 F8_3 1.345(10) . ?
C4_3 F7_3 1.367(10) . ?
O1_2 C1_2 1.349(5) . ?
O1_2 Al2 1.702(4) . ?
C1_2 C3_2 1.538(7) . ?
C1_2 C2_2 1.555(6) . ?
C1_2 C4_2 1.555(6) . ?
C2_2 F2_2 1.304(6) . ?
C2_2 F1_2 1.318(7) . ?
C2_2 F3_2 1.331(7) . ?
C3_2 F6_2 1.321(6) . ?
C3_2 F4_2 1.327(7) . ?
C3_2 F5_2 1.330(7) . ?
C4_2 F9_2 1.304(7) . ?
C4_2 F7_2 1.323(6) . ?
C4_2 F8_2 1.336(6) . ?
O1_1 C1_1 1.354(9) . ?
O1_1 Al2 1.706(13) . ?
C1_1 C4_1 1.544(9) . ?
C1_1 C3_1 1.545(10) . ?
C1_1 C2_1 1.550(11) . ?
C2_1 F3_1 1.301(10) . ?
C2_1 F1_1 1.318(10) . ?
C2_1 F2_1 1.320(10) . ?
C3_1 F4_1 1.321(9) . ?
C3_1 F6_1 1.323(9) . ?
C3_1 F5_1 1.323(9) . ?
C4_1 F9_1 1.295(9) . ?
C4_1 F8_1 1.306(8) . ?
C4_1 F7_1 1.346(10) . ?
C1 Cl4 1.748(9) . ?
C1 Cl5 1.771(9) . ?
C1 H1A 0.9900 . ?
C1 H1AB 0.9900 . ?
F1 Al1 1.7716(11) . ?
F1 Al1 1.7716(11) 2_667 ?
Cl1 C2 1.767(9) . ?
Cl1 Cu2 2.428(7) . ?
Cl1 Cu1 2.718(3) . ?
Al2 O1_9 1.618(15) . ?
Al2 O1_10 1.745(17) . ?
Al2 F2 1.7623(12) . ?
Cl2 C3 1.756(6) . ?
Cl2 Cu2 2.660(8) . ?
C2 Cl6 1.738(9) . ?
C2 H2A 0.9900 . ?
C2 H2AB 0.9900 . ?
Cl5 Cu2 2.253(6) . ?
Cl5 Cu1 2.319(2) . ?
C3 Cl7 1.783(7) . ?
C3 H3A 0.9900 . ?
C3 H3AB 0.9900 . ?
Cl6 Cu1 2.541(2) . ?
Cl7 Cu1 2.287(2) . ?
Cl7 Cu2 2.443(7) . ?
O1_9 C1_9 1.368(10) . ?
C1_9 C2_9 1.538(11) . ?
C1_9 C4_9 1.539(12) . ?
C1_9 C3_9 1.558(11) . ?
C2_9 F1_9 1.304(11) . ?
C2_9 F2_9 1.316(10) . ?
C2_9 F3_9 1.351(11) . ?
C3_9 F4_9 1.293(11) . ?
C3_9 F5_9 1.322(11) . ?
C3_9 F6_9 1.329(11) . ?
C4_9 F9_9 1.315(11) . ?
C4_9 F7_9 1.316(11) . ?
C4_9 F8_9 1.337(11) . ?
O1_10 C1_10 1.356(11) . ?
C1_10 C3_10 1.538(12) . ?
C1_10 C2_10 1.553(12) . ?
C1_10 C4_10 1.557(12) . ?
C2_10 F2_10 1.328(11) . ?
C2_10 F1_10 1.338(11) . ?
C2_10 F3_10 1.348(11) . ?
C3_10 F4_10 1.338(11) . ?
C3_10 F6_10 1.339(11) . ?
C3_10 F5_10 1.347(11) . ?
C4_10 F9_10 1.326(11) . ?
C4_10 F7_10 1.335(11) . ?
C4_10 F8_10 1.342(11) . ?

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_8 O1_8 Al2 147.3(12) . . ?
O1_8 C1_8 C2_8 110.3(9) . . ?
O1_8 C1_8 C3_8 108.1(8) . . ?
C2_8 C1_8 C3_8 107.9(7) . . ?
O1_8 C1_8 C4_8 109.8(10) . . ?
C2_8 C1_8 C4_8 111.4(7) . . ?
C3_8 C1_8 C4_8 109.3(7) . . ?
F1_8 C2_8 F2_8 106.9(10) . . ?
F1_8 C2_8 F3_8 110.7(13) . . ?
F2_8 C2_8 F3_8 105.9(12) . . ?
F1_8 C2_8 C1_8 110.6(8) . . ?
F2_8 C2_8 C1_8 111.3(9) . . ?
F3_8 C2_8 C1_8 111.3(11) . . ?
F5_8 C3_8 F6_8 108.4(9) . . ?
F5_8 C3_8 F4_8 103.8(8) . . ?
F6_8 C3_8 F4_8 108.6(11) . . ?
F5_8 C3_8 C1_8 112.8(7) . . ?
F6_8 C3_8 C1_8 110.8(9) . . ?
F4_8 C3_8 C1_8 112.1(8) . . ?
F7_8 C4_8 F8_8 112.9(11) . . ?
F7_8 C4_8 F9_8 104.6(11) . . ?
F8_8 C4_8 F9_8 106.8(10) . . ?
F7_8 C4_8 C1_8 109.0(8) . . ?
F8_8 C4_8 C1_8 112.5(8) . . ?
F9_8 C4_8 C1_8 110.8(9) . . ?
C1_7 O1_7 Al1 146(3) . . ?
O1_7 C1_7 C3_7 109.3(17) . . ?
O1_7 C1_7 C2_7 110.4(17) . . ?
C3_7 C1_7 C2_7 110.0(10) . . ?
O1_7 C1_7 C4_7 108.9(17) . . ?
C3_7 C1_7 C4_7 109.4(10) . . ?
C2_7 C1_7 C4_7 108.9(10) . . ?
F2_7 C2_7 F1_7 106.3(12) . . ?
F2_7 C2_7 F3_7 109.1(13) . . ?
F1_7 C2_7 F3_7 105.3(13) . . ?
F2_7 C2_7 C1_7 114.4(13) . . ?
F1_7 C2_7 C1_7 112.5(10) . . ?
F3_7 C2_7 C1_7 108.9(12) . . ?
F4_7 C3_7 F6_7 108.1(15) . . ?
F4_7 C3_7 F5_7 107.5(14) . . ?
F6_7 C3_7 F5_7 107.2(13) . . ?
F4_7 C3_7 C1_7 111.1(16) . . ?
F6_7 C3_7 C1_7 111.9(11) . . ?
F5_7 C3_7 C1_7 110.9(12) . . ?
F9_7 C4_7 F7_7 109.0(14) . . ?
F9_7 C4_7 F8_7 107.9(16) . . ?
F7_7 C4_7 F8_7 109.4(13) . . ?
F9_7 C4_7 C1_7 110.2(17) . . ?
F7_7 C4_7 C1_7 109.4(10) . . ?
F8_7 C4_7 C1_7 110.9(14) . . ?
C1_6 O1_6 Al1 144.7(12) . . ?
O1_6 C1_6 C3_6 111.1(8) . . ?
O1_6 C1_6 C4_6 108.5(8) . . ?
C3_6 C1_6 C4_6 109.4(6) . . ?
O1_6 C1_6 C2_6 109.9(8) . . ?
C3_6 C1_6 C2_6 109.5(6) . . ?
C4_6 C1_6 C2_6 108.4(5) . . ?
F1_6 C2_6 F2_6 109.4(9) . . ?
F1_6 C2_6 F3_6 108.2(8) . . ?
F2_6 C2_6 F3_6 105.9(7) . . ?
F1_6 C2_6 C1_6 109.9(8) . . ?
F2_6 C2_6 C1_6 113.0(7) . . ?
F3_6 C2_6 C1_6 110.3(6) . . ?
F6_6 C3_6 F4_6 109.2(8) . . ?
F6_6 C3_6 F5_6 106.0(9) . . ?
F4_6 C3_6 F5_6 106.9(9) . . ?
F6_6 C3_6 C1_6 112.7(7) . . ?
F4_6 C3_6 C1_6 110.8(6) . . ?
F5_6 C3_6 C1_6 110.9(7) . . ?
F9_6 C4_6 F7_6 106.6(7) . . ?
F9_6 C4_6 F8_6 107.0(6) . . ?
F7_6 C4_6 F8_6 109.0(8) . . ?
F9_6 C4_6 C1_6 111.3(5) . . ?
F7_6 C4_6 C1_6 110.9(7) . . ?
F8_6 C4_6 C1_6 111.9(6) . . ?
C1_5 O1_5 Al1 147.8(3) . . ?
O1_5 C1_5 C2_5 107.6(3) . . ?
O1_5 C1_5 C4_5 111.0(3) . . ?
C2_5 C1_5 C4_5 109.6(3) . . ?
O1_5 C1_5 C3_5 110.7(3) . . ?
C2_5 C1_5 C3_5 109.0(3) . . ?
C4_5 C1_5 C3_5 108.9(3) . . ?
F1_5 C2_5 F3_5 108.1(3) . . ?
F1_5 C2_5 F2_5 108.0(3) . . ?
F3_5 C2_5 F2_5 108.1(3) . . ?
F1_5 C2_5 C1_5 110.2(3) . . ?
F3_5 C2_5 C1_5 110.9(3) . . ?
F2_5 C2_5 C1_5 111.5(3) . . ?
F5_5 C3_5 F6_5 108.1(4) . . ?
F5_5 C3_5 F4_5 106.6(4) . . ?
F6_5 C3_5 F4_5 108.0(4) . . ?
F5_5 C3_5 C1_5 110.4(3) . . ?
F6_5 C3_5 C1_5 112.4(3) . . ?
F4_5 C3_5 C1_5 111.1(4) . . ?
F8_5 C4_5 F9_5 108.3(4) . . ?
F8_5 C4_5 F7_5 108.4(4) . . ?
F9_5 C4_5 F7_5 106.6(4) . . ?
F8_5 C4_5 C1_5 113.0(4) . . ?
F9_5 C4_5 C1_5 110.4(4) . . ?
F7_5 C4_5 C1_5 110.1(3) . . ?
C1_4 O1_4 Al1 152.3(3) . . ?
O1_4 C1_4 C2_4 109.0(3) . . ?
O1_4 C1_4 C3_4 108.9(3) . . ?
C2_4 C1_4 C3_4 109.9(3) . . ?
O1_4 C1_4 C4_4 110.1(3) . . ?
C2_4 C1_4 C4_4 109.8(3) . . ?
C3_4 C1_4 C4_4 109.1(3) . . ?
F3_4 C2_4 F1_4 108.6(4) . . ?
F3_4 C2_4 F2_4 107.0(4) . . ?
F1_4 C2_4 F2_4 107.7(4) . . ?
F3_4 C2_4 C1_4 111.5(4) . . ?
F1_4 C2_4 C1_4 110.4(4) . . ?
F2_4 C2_4 C1_4 111.5(4) . . ?
F4_4 C3_4 F6_4 108.1(4) . . ?
F4_4 C3_4 F5_4 107.6(4) . . ?
F6_4 C3_4 F5_4 108.1(4) . . ?
F4_4 C3_4 C1_4 110.5(3) . . ?
F6_4 C3_4 C1_4 111.8(4) . . ?
F5_4 C3_4 C1_4 110.6(4) . . ?
F8_4 C4_4 F7_4 109.0(4) . . ?
F8_4 C4_4 F9_4 108.1(4) . . ?
F7_4 C4_4 F9_4 106.9(4) . . ?
F8_4 C4_4 C1_4 113.0(4) . . ?
F7_4 C4_4 C1_4 110.2(3) . . ?
F9_4 C4_4 C1_4 109.5(3) . . ?
C1_3 O1_3 Al2 148.8(19) . . ?
O1_3 C1_3 C2_3 110.5(12) . . ?
O1_3 C1_3 C4_3 112.9(12) . . ?
C2_3 C1_3 C4_3 104.2(8) . . ?
O1_3 C1_3 C3_3 104.9(11) . . ?
C2_3 C1_3 C3_3 116.8(10) . . ?
C4_3 C1_3 C3_3 107.8(9) . . ?
F3_3 C2_3 F1_3 111.2(11) . . ?
F3_3 C2_3 F2_3 106.0(13) . . ?
F1_3 C2_3 F2_3 105.8(12) . . ?
F3_3 C2_3 C1_3 109.5(11) . . ?
F1_3 C2_3 C1_3 113.2(9) . . ?
F2_3 C2_3 C1_3 110.9(11) . . ?
F6_3 C3_3 F4_3 114.3(14) . . ?
F6_3 C3_3 F5_3 103.0(13) . . ?
F4_3 C3_3 F5_3 106.1(14) . . ?
F6_3 C3_3 C1_3 110.7(12) . . ?
F4_3 C3_3 C1_3 109.1(12) . . ?
F5_3 C3_3 C1_3 113.6(12) . . ?
F9_3 C4_3 F8_3 102.1(11) . . ?
F9_3 C4_3 F7_3 102.3(11) . . ?
F8_3 C4_3 F7_3 117.2(12) . . ?
F9_3 C4_3 C1_3 114.7(11) . . ?
F8_3 C4_3 C1_3 110.6(12) . . ?
F7_3 C4_3 C1_3 109.6(9) . . ?
C1_2 O1_2 Al2 152.0(3) . . ?
O1_2 C1_2 C3_2 111.3(4) . . ?
O1_2 C1_2 C2_2 110.7(4) . . ?
C3_2 C1_2 C2_2 108.3(4) . . ?
O1_2 C1_2 C4_2 107.8(4) . . ?
C3_2 C1_2 C4_2 109.2(4) . . ?
C2_2 C1_2 C4_2 109.5(4) . . ?
F2_2 C2_2 F1_2 108.3(5) . . ?
F2_2 C2_2 F3_2 108.2(5) . . ?
F1_2 C2_2 F3_2 106.4(6) . . ?
F2_2 C2_2 C1_2 113.6(4) . . ?
F1_2 C2_2 C1_2 110.3(4) . . ?
F3_2 C2_2 C1_2 109.8(5) . . ?
F6_2 C3_2 F4_2 106.5(6) . . ?
F6_2 C3_2 F5_2 105.9(5) . . ?
F4_2 C3_2 F5_2 110.1(6) . . ?
F6_2 C3_2 C1_2 113.6(5) . . ?
F4_2 C3_2 C1_2 109.6(4) . . ?
F5_2 C3_2 C1_2 110.9(5) . . ?
F9_2 C4_2 F7_2 107.6(5) . . ?
F9_2 C4_2 F8_2 108.2(5) . . ?
F7_2 C4_2 F8_2 106.2(5) . . ?
F9_2 C4_2 C1_2 112.2(4) . . ?
F7_2 C4_2 C1_2 110.5(5) . . ?
F8_2 C4_2 C1_2 111.9(4) . . ?
C1_1 O1_1 Al2 142.3(12) . . ?
O1_1 C1_1 C4_1 111.4(10) . . ?
O1_1 C1_1 C3_1 112.0(8) . . ?
C4_1 C1_1 C3_1 107.8(7) . . ?
O1_1 C1_1 C2_1 106.3(10) . . ?
C4_1 C1_1 C2_1 109.2(7) . . ?
C3_1 C1_1 C2_1 110.2(7) . . ?
F3_1 C2_1 F1_1 107.6(10) . . ?
F3_1 C2_1 F2_1 110.9(10) . . ?
F1_1 C2_1 F2_1 104.8(9) . . ?
F3_1 C2_1 C1_1 110.9(8) . . ?
F1_1 C2_1 C1_1 109.1(8) . . ?
F2_1 C2_1 C1_1 113.2(9) . . ?
F4_1 C3_1 F6_1 109.0(9) . . ?
F4_1 C3_1 F5_1 103.6(9) . . ?
F6_1 C3_1 F5_1 105.5(9) . . ?
F4_1 C3_1 C1_1 113.1(7) . . ?
F6_1 C3_1 C1_1 114.3(8) . . ?
F5_1 C3_1 C1_1 110.5(8) . . ?
F9_1 C4_1 F8_1 109.6(8) . . ?
F9_1 C4_1 F7_1 101.9(11) . . ?
F8_1 C4_1 F7_1 105.1(11) . . ?
F9_1 C4_1 C1_1 113.2(7) . . ?
F8_1 C4_1 C1_1 115.9(7) . . ?
F7_1 C4_1 C1_1 109.9(11) . . ?
Cl4 C1 Cl5 110.9(4) . . ?
Cl4 C1 H1A 109.5 . . ?
Cl5 C1 H1A 109.5 . . ?
Cl4 C1 H1AB 109.5 . . ?
Cl5 C1 H1AB 109.5 . . ?
H1A C1 H1AB 108.1 . . ?
Al1 F1 Al1 180.0 . 2_667 ?
C2 Cl1 Cu2 100.4(3) . . ?
C2 Cl1 Cu1 87.9(3) . . ?
O1_7 Al1 O1_4 117.9(13) . . ?
O1_7 Al1 O1_5 111.9(12) . . ?
O1_4 Al1 O1_5 110.46(16) . . ?
O1_4 Al1 O1_6 117.5(6) . . ?
O1_5 Al1 O1_6 113.3(5) . . ?
O1_7 Al1 F1 101.0(12) . . ?
O1_4 Al1 F1 107.20(12) . . ?
O1_5 Al1 F1 107.35(12) . . ?
O1_6 Al1 F1 99.8(5) . . ?
O1_9 Al2 O1_2 112.5(8) . . ?
O1_2 Al2 O1_1 115.5(6) . . ?
O1_2 Al2 O1_3 110.9(8) . . ?
O1_1 Al2 O1_3 110.7(9) . . ?
O1_9 Al2 O1_8 115.5(9) . . ?
O1_2 Al2 O1_8 109.2(6) . . ?
O1_2 Al2 O1_10 122.2(7) . . ?
O1_9 Al2 F2 113.1(7) . . ?
O1_2 Al2 F2 105.71(16) . . ?
O1_1 Al2 F2 108.0(6) . . ?
O1_3 Al2 F2 105.3(6) . . ?
O1_8 Al2 F2 99.7(5) . . ?
O1_10 Al2 F2 97.9(6) . . ?
C3 Cl2 Cu2 85.9(3) . . ?
Cl6 C2 Cl1 110.9(3) . . ?
Cl6 C2 H2A 109.5 . . ?
Cl1 C2 H2A 109.5 . . ?
Cl6 C2 H2AB 109.5 . . ?
Cl1 C2 H2AB 109.5 . . ?
H2A C2 H2AB 108.0 . . ?
Al2 F2 Al2 180.0 . 2_666 ?
C1 Cl5 Cu2 109.2(3) . . ?
C1 Cl5 Cu1 106.0(3) . . ?
Cl2 C3 Cl7 109.6(3) . . ?
Cl2 C3 H3A 109.7 . . ?
Cl7 C3 H3A 109.7 . . ?
Cl2 C3 H3AB 109.7 . . ?
Cl7 C3 H3AB 109.7 . . ?
H3A C3 H3AB 108.2 . . ?
C2 Cl6 Cu1 94.5(3) . . ?
C3 Cl7 Cu1 104.0(2) . . ?
C3 Cl7 Cu2 92.3(3) . . ?
Cl5 Cu2 Cl1 114.2(3) . . ?
Cl5 Cu2 Cl7 136.0(4) . . ?
Cl1 Cu2 Cl7 108.7(2) . . ?
Cl5 Cu2 Cl2 105.0(3) . . ?
Cl1 Cu2 Cl2 108.6(3) . . ?
Cl7 Cu2 Cl2 68.89(16) . . ?
Cl7 Cu1 Cl5 141.94(9) . . ?
Cl7 Cu1 Cl6 113.42(10) . . ?
Cl5 Cu1 Cl6 101.96(8) . . ?
Cl7 Cu1 Cl1 104.24(9) . . ?
Cl5 Cu1 Cl1 102.30(10) . . ?
Cl6 Cu1 Cl1 66.51(7) . . ?
C1_9 O1_9 Al2 149.7(16) . . ?
O1_9 C1_9 C2_9 106.8(12) . . ?
O1_9 C1_9 C4_9 110.6(12) . . ?
C2_9 C1_9 C4_9 111.5(10) . . ?
O1_9 C1_9 C3_9 109.9(11) . . ?
C2_9 C1_9 C3_9 112.3(9) . . ?
C4_9 C1_9 C3_9 105.8(9) . . ?
F1_9 C2_9 F2_9 109.7(13) . . ?
F1_9 C2_9 F3_9 105.4(13) . . ?
F2_9 C2_9 F3_9 107.1(12) . . ?
F1_9 C2_9 C1_9 113.5(12) . . ?
F2_9 C2_9 C1_9 116.9(11) . . ?
F3_9 C2_9 C1_9 103.1(11) . . ?
F4_9 C3_9 F5_9 105.0(11) . . ?
F4_9 C3_9 F6_9 101.4(12) . . ?
F5_9 C3_9 F6_9 115.2(12) . . ?
F4_9 C3_9 C1_9 113.1(10) . . ?
F5_9 C3_9 C1_9 109.1(11) . . ?
F6_9 C3_9 C1_9 112.7(11) . . ?
F9_9 C4_9 F7_9 104.8(15) . . ?
F9_9 C4_9 F8_9 106.2(14) . . ?
F7_9 C4_9 F8_9 111.9(15) . . ?
F9_9 C4_9 C1_9 110.5(12) . . ?
F7_9 C4_9 C1_9 112.0(15) . . ?
F8_9 C4_9 C1_9 111.1(14) . . ?
C1_10 O1_10 Al2 148.4(17) . . ?
O1_10 C1_10 C3_10 111.2(13) . . ?
O1_10 C1_10 C2_10 112.5(12) . . ?
C3_10 C1_10 C2_10 107.7(9) . . ?
O1_10 C1_10 C4_10 107.6(12) . . ?
C3_10 C1_10 C4_10 108.3(10) . . ?
C2_10 C1_10 C4_10 109.6(10) . . ?
F2_10 C2_10 F1_10 113.5(13) . . ?
F2_10 C2_10 F3_10 107.2(12) . . ?
F1_10 C2_10 F3_10 111.1(13) . . ?
F2_10 C2_10 C1_10 111.3(11) . . ?
F1_10 C2_10 C1_10 106.7(11) . . ?
F3_10 C2_10 C1_10 106.9(10) . . ?
F4_10 C3_10 F6_10 112.0(13) . . ?
F4_10 C3_10 F5_10 107.7(13) . . ?
F6_10 C3_10 F5_10 111.4(15) . . ?
F4_10 C3_10 C1_10 106.2(11) . . ?
F6_10 C3_10 C1_10 109.4(13) . . ?
F5_10 C3_10 C1_10 110.0(14) . . ?
F9_10 C4_10 F7_10 112.0(16) . . ?
F9_10 C4_10 F8_10 105.7(14) . . ?
F7_10 C4_10 F8_10 113.8(15) . . ?
F9_10 C4_10 C1_10 108.0(16) . . ?
F7_10 C4_10 C1_10 107.1(13) . . ?
F8_10 C4_10 C1_10 110.2(12) . . ?

_refine_diff_density_max         1.135
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.104

