# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

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

data_P-1_a
_database_code_depnum_ccdc_archive 'CCDC 1527816'
_audit_update_record             
;
2017-01-16 deposited with the CCDC.
2017-09-11 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         'Sn N8 H20 C16, 2(Al O4 C16 F36)'
_chemical_formula_sum            'C48 H20 Al2 F72 N8 O8 Sn'
_chemical_formula_weight         2377.37

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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                   14.2805(6)
_cell_length_b                   14.2903(6)
_cell_length_c                   20.9698(10)
_cell_angle_alpha                82.129(3)
_cell_angle_beta                 83.435(3)
_cell_angle_gamma                63.201(2)
_cell_volume                     3777.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9811
_cell_measurement_theta_min      2.4135
_cell_measurement_theta_max      25.299

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.090
_exptl_crystal_F_000             2304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.596
_shelx_estimated_absorpt_T_min   0.841
_shelx_estimated_absorpt_T_max   0.971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
'L. Krause, R. Herbst-Irmer, G. M. Sheldrick, D. Stalke, J. Appl. Cryst. 2015, 48, 3--10.'
_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            94441
_diffrn_reflns_av_unetI/netI     0.0658
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.982
_diffrn_reflns_theta_max         28.909
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             18917
_reflns_number_gt                12585
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0599P)²+7.9601P] 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         18917
_refine_ls_number_parameters     1372
_refine_ls_number_restraints     15265
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0531
_refine_ls_wR_factor_ref         0.1470
_refine_ls_wR_factor_gt          0.1280
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      0.818
_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_10 O 0.414(2) 0.825(4) 0.861(2) 0.0293(7) Uani 0.080(3) 1 d D U P A 2
C1_10 C 0.512(2) 0.760(3) 0.8396(13) 0.0338(9) Uani 0.080(3) 1 d D U P A 2
C2_10 C 0.565(3) 0.668(2) 0.8921(12) 0.0342(10) Uani 0.080(3) 1 d D U P A 2
F1_10 F 0.544(3) 0.703(3) 0.9501(13) 0.0428(8) Uani 0.080(3) 1 d D U P A 2
F2_10 F 0.670(3) 0.619(6) 0.883(3) 0.0430(9) Uani 0.080(3) 1 d D U P A 2
F3_10 F 0.529(2) 0.597(2) 0.8942(15) 0.041(5) Uani 0.080(3) 1 d D U P A 2
C3_10 C 0.508(3) 0.713(3) 0.7783(14) 0.0513(13) Uani 0.080(3) 1 d D U P A 2
F4_10 F 0.485(3) 0.785(3) 0.7276(15) 0.0711(12) Uani 0.080(3) 1 d D U P A 2
F5_10 F 0.434(3) 0.680(3) 0.785(2) 0.0609(10) Uani 0.080(3) 1 d D U P A 2
F6_10 F 0.599(3) 0.632(4) 0.763(3) 0.0668(12) Uani 0.080(3) 1 d D U P A 2
C4_10 C 0.578(2) 0.822(2) 0.8222(15) 0.0518(13) Uani 0.080(3) 1 d D U P A 2
F7_10 F 0.523(3) 0.915(3) 0.790(2) 0.0663(11) Uani 0.080(3) 1 d D U P A 2
F8_10 F 0.666(4) 0.771(6) 0.786(3) 0.0590(9) Uani 0.080(3) 1 d D U P A 2
F9_10 F 0.607(3) 0.840(3) 0.8757(15) 0.059(6) Uani 0.080(3) 1 d D U P A 2
O1_9 O 0.310(2) 0.8640(16) 0.9841(6) 0.0226(14) Uani 0.462(4) 1 d D U P A 2
C1_9 C 0.3019(8) 0.9327(10) 1.0254(6) 0.0252(9) Uani 0.462(4) 1 d D U P A 2
C2_9 C 0.3287(7) 0.8706(7) 1.0925(4) 0.0324(18) Uani 0.462(4) 1 d D U P A 2
F1_9 F 0.2481(5) 0.8558(6) 1.1212(4) 0.0350(11) Uani 0.462(4) 1 d D U P A 2
F2_9 F 0.3551(16) 0.9185(18) 1.1328(7) 0.0424(19) Uani 0.462(4) 1 d D U P A 2
F3_9 F 0.4082(18) 0.7756(10) 1.0862(18) 0.0364(10) Uani 0.462(4) 1 d D U P A 2
C3_9 C 0.3807(6) 0.9798(6) 1.0041(4) 0.0294(17) Uani 0.462(4) 1 d D U P A 2
F4_9 F 0.3795(13) 1.0055(18) 0.9407(5) 0.0350(18) Uani 0.462(4) 1 d D U P A 2
F5_9 F 0.4790(6) 0.9072(7) 1.0140(4) 0.0403(12) Uani 0.462(4) 1 d D U P A 2
F6_9 F 0.3636(6) 1.0633(7) 1.0336(5) 0.0388(15) Uani 0.462(4) 1 d D U P A 2
C4_9 C 0.1900(6) 1.0239(6) 1.0299(4) 0.0312(17) Uani 0.462(4) 1 d D U P A 2
F7_9 F 0.1729(9) 1.1010(11) 0.9829(6) 0.0378(16) Uani 0.462(4) 1 d D U P A 2
F8_9 F 0.1687(13) 1.0687(9) 1.0849(4) 0.0432(16) Uani 0.462(4) 1 d D U P A 2
F9_9 F 0.1184(16) 0.9900(19) 1.0251(10) 0.037(2) Uani 0.462(4) 1 d D U P A 2
O1_8 O 0.2976(18) 0.8719(14) 0.9849(6) 0.0226(14) Uani 0.538(4) 1 d D U P A 1
C1_8 C 0.2908(7) 0.9384(8) 1.0279(5) 0.0252(9) Uani 0.538(4) 1 d D U P A 1
C2_8 C 0.3875(6) 0.8804(6) 1.0696(3) 0.0333(16) Uani 0.538(4) 1 d D U P A 1
F1_8 F 0.4083(16) 0.7806(9) 1.0880(16) 0.0364(10) Uani 0.538(4) 1 d D U P A 1
F2_8 F 0.3772(13) 0.9254(15) 1.1234(6) 0.0424(19) Uani 0.538(4) 1 d D U P A 1
F3_8 F 0.4732(5) 0.8821(6) 1.0361(3) 0.0403(12) Uani 0.538(4) 1 d D U P A 1
C3_8 C 0.2902(6) 1.0419(6) 0.9938(3) 0.0328(16) Uani 0.538(4) 1 d D U P A 1
F4_8 F 0.1966(7) 1.1090(9) 0.9732(5) 0.0378(16) Uani 0.538(4) 1 d D U P A 1
F5_8 F 0.3584(11) 1.0249(15) 0.9427(5) 0.0350(18) Uani 0.538(4) 1 d D U P A 1
F6_8 F 0.3171(5) 1.0907(6) 1.0335(4) 0.0388(15) Uani 0.538(4) 1 d D U P A 1
C4_8 C 0.1888(6) 0.9649(5) 1.0713(3) 0.0316(16) Uani 0.538(4) 1 d D U P A 1
F7_8 F 0.1089(14) 0.9868(16) 1.0367(8) 0.037(2) Uani 0.538(4) 1 d D U P A 1
F8_8 F 0.1640(11) 1.0472(7) 1.1043(4) 0.0432(16) Uani 0.538(4) 1 d D U P A 1
F9_8 F 0.1986(5) 0.8836(5) 1.1143(3) 0.0350(11) Uani 0.538(4) 1 d D U P A 1
O1_7 O 0.2751(2) 0.7440(2) 0.90403(12) 0.0245(6) Uani 1 1 d D U . . .
C1_7 C 0.2303(3) 0.6826(3) 0.93299(18) 0.0250(8) Uani 1 1 d D U . . .
C2_7 C 0.3130(3) 0.5817(3) 0.9680(2) 0.0350(9) Uani 1 1 d D U . . .
F1_7 F 0.3780(2) 0.5152(2) 0.92579(14) 0.0524(8) Uani 1 1 d D U . . .
F2_7 F 0.2697(2) 0.5302(2) 1.00898(14) 0.0469(7) Uani 1 1 d D U . . .
F3_7 F 0.3712(2) 0.6058(2) 1.00204(12) 0.0427(6) Uani 1 1 d D U . . .
C3_7 C 0.1386(3) 0.7409(3) 0.9824(2) 0.0345(9) Uani 1 1 d D U . . .
F4_7 F 0.0836(2) 0.8398(2) 0.95967(15) 0.0480(7) Uani 1 1 d D U . . .
F5_7 F 0.1769(2) 0.7399(2) 1.03817(12) 0.0428(6) Uani 1 1 d D U . . .
F6_7 F 0.0726(2) 0.6970(2) 0.99587(15) 0.0491(7) Uani 1 1 d D U . . .
C4_7 C 0.1853(4) 0.6510(4) 0.8804(2) 0.0423(11) Uani 1 1 d D U . . .
F7_7 F 0.0980(2) 0.7318(2) 0.85864(15) 0.0544(8) Uani 1 1 d D U . . .
F8_7 F 0.1605(3) 0.5715(2) 0.90162(15) 0.0580(8) Uani 1 1 d D U . . .
F9_7 F 0.2552(3) 0.6203(2) 0.83024(13) 0.0537(8) Uani 1 1 d D U . . .
O1_6 O 0.1978(2) 0.9698(2) 0.87351(12) 0.0249(6) Uani 1 1 d D U . . .
C1_6 C 0.1519(3) 1.0324(3) 0.82016(18) 0.0267(8) Uani 1 1 d D U . . .
C2_6 C 0.2291(4) 1.0680(3) 0.7779(2) 0.0368(10) Uani 1 1 d D U . . .
F1_6 F 0.2838(2) 1.0923(2) 0.81456(13) 0.0481(7) Uani 1 1 d D U . . .
F2_6 F 0.1785(2) 1.1531(2) 0.73725(13) 0.0484(7) Uani 1 1 d D U . . .
F3_6 F 0.2972(2) 0.9928(2) 0.74236(12) 0.0426(6) Uani 1 1 d D U . . .
C3_6 C 0.1158(3) 0.9729(3) 0.77980(19) 0.0324(9) Uani 1 1 d D U . . .
F4_6 F 0.0327(2) 0.9631(2) 0.80819(13) 0.0429(6) Uani 1 1 d D U . . .
F5_6 F 0.1921(2) 0.87499(18) 0.77360(12) 0.0360(6) Uani 1 1 d D U . . .
F6_6 F 0.0926(2) 1.0201(2) 0.72034(12) 0.0421(6) Uani 1 1 d D U . . .
C4_6 C 0.0551(4) 1.1304(3) 0.8424(2) 0.0377(10) Uani 1 1 d D U . . .
F7_6 F 0.0030(2) 1.1048(2) 0.89262(13) 0.0465(7) Uani 1 1 d D U . . .
F8_6 F -0.0123(2) 1.1804(2) 0.79563(14) 0.0502(7) Uani 1 1 d D U . . .
F9_6 F 0.0824(2) 1.2007(2) 0.86030(13) 0.0488(7) Uani 1 1 d D U . . .
O1_5 O 0.4098(3) 0.8354(4) 0.8592(2) 0.0293(7) Uani 0.920(3) 1 d D U P A 1
C1_5 C 0.5061(4) 0.7659(4) 0.8379(2) 0.0338(9) Uani 0.920(3) 1 d D U P A 1
C2_5 C 0.4967(4) 0.6914(5) 0.7949(3) 0.0513(13) Uani 0.920(3) 1 d D U P A 1
F1_5 F 0.4821(3) 0.6140(3) 0.83042(19) 0.0609(10) Uani 0.920(3) 1 d D U P A 1
F2_5 F 0.5836(3) 0.6448(5) 0.7564(3) 0.0668(12) Uani 0.920(3) 1 d D U P A 1
F3_5 F 0.4169(3) 0.7432(4) 0.75752(17) 0.0711(12) Uani 0.920(3) 1 d D U P A 1
C3_5 C 0.5586(4) 0.8316(5) 0.7976(3) 0.0518(13) Uani 0.920(3) 1 d D U P A 1
F4_5 F 0.5432(3) 0.9143(3) 0.8261(2) 0.0663(11) Uani 0.920(3) 1 d D U P A 1
F5_5 F 0.5205(3) 0.8658(4) 0.73952(16) 0.0836(15) Uani 0.920(3) 1 d D U P A 1
F6_5 F 0.6636(4) 0.7728(6) 0.7886(3) 0.0590(9) Uani 0.920(3) 1 d D U P A 1
C4_5 C 0.5753(4) 0.7016(4) 0.8946(2) 0.0342(10) Uani 0.920(3) 1 d D U P A 1
F7_5 F 0.6058(2) 0.7597(3) 0.92324(14) 0.0444(8) Uani 0.920(3) 1 d D U P A 1
F8_5 F 0.6614(3) 0.6186(5) 0.8757(3) 0.0430(9) Uani 0.920(3) 1 d D U P A 1
F9_5 F 0.5206(2) 0.6664(3) 0.93876(14) 0.0428(8) Uani 0.920(3) 1 d D U P A 1
O1_4 O 0.3823(2) 0.8149(2) 0.47161(12) 0.0270(6) Uani 1 1 d D U . . .
C1_4 C 0.3830(3) 0.8179(3) 0.53570(17) 0.0235(8) Uani 1 1 d D U . . .
C2_4 C 0.2700(3) 0.8817(3) 0.56601(18) 0.0283(8) Uani 1 1 d D U . . .
F1_4 F 0.2181(2) 0.96919(19) 0.52862(12) 0.0388(6) Uani 1 1 d D U . . .
F2_4 F 0.2709(2) 0.9087(2) 0.62378(12) 0.0466(7) Uani 1 1 d D U . . .
F3_4 F 0.21518(19) 0.8265(2) 0.57172(13) 0.0382(6) Uani 1 1 d D U . . .
C3_4 C 0.4298(3) 0.7050(3) 0.56988(19) 0.0323(9) Uani 1 1 d D U . . .
F4_4 F 0.5327(2) 0.6545(2) 0.55775(13) 0.0417(6) Uani 1 1 d D U . . .
F5_4 F 0.3883(2) 0.6482(2) 0.54922(13) 0.0419(6) Uani 1 1 d D U . . .
F6_4 F 0.4109(2) 0.7022(2) 0.63376(12) 0.0478(7) Uani 1 1 d D U . . .
C4_4 C 0.4520(3) 0.8725(3) 0.5456(2) 0.0344(9) Uani 1 1 d D U . . .
F7_4 F 0.54137(19) 0.8346(2) 0.51032(13) 0.0411(6) Uani 1 1 d D U . . .
F8_4 F 0.4789(2) 0.8566(3) 0.60725(13) 0.0525(8) Uani 1 1 d D U . . .
F9_4 F 0.4030(2) 0.9752(2) 0.53030(14) 0.0441(7) Uani 1 1 d D U . . .
O1_3 O 0.4188(2) 0.7655(2) 0.34427(13) 0.0316(6) Uani 1 1 d D U . . .
C1_3 C 0.5190(3) 0.7015(3) 0.32652(18) 0.0276(8) Uani 1 1 d D U . . .
C2_3 C 0.5179(3) 0.6336(4) 0.2751(2) 0.0395(10) Uani 1 1 d D U . . .
F1_3 F 0.4904(3) 0.5596(2) 0.30230(16) 0.0582(8) Uani 1 1 d D U . . .
F2_3 F 0.6112(2) 0.5864(3) 0.24299(14) 0.0586(8) Uani 1 1 d D U . . .
F3_3 F 0.4493(2) 0.6928(2) 0.23141(13) 0.0500(7) Uani 1 1 d D U . . .
C3_3 C 0.5756(4) 0.7689(4) 0.2959(2) 0.0408(10) Uani 1 1 d D U . . .
F4_3 F 0.5568(2) 0.8464(2) 0.33106(15) 0.0527(7) Uani 1 1 d D U . . .
F5_3 F 0.5438(2) 0.8121(3) 0.23670(13) 0.0528(8) Uani 1 1 d D U . . .
F6_3 F 0.6804(2) 0.7112(3) 0.28979(14) 0.0552(8) Uani 1 1 d D U . . .
C4_3 C 0.5802(3) 0.6282(3) 0.3844(2) 0.0351(9) Uani 1 1 d D U . . .
F7_3 F 0.6107(2) 0.6794(2) 0.41957(12) 0.0404(6) Uani 1 1 d D U . . .
F8_3 F 0.6654(2) 0.5441(2) 0.36652(14) 0.0535(8) Uani 1 1 d D U . . .
F9_3 F 0.5187(2) 0.5937(2) 0.42263(13) 0.0451(7) Uani 1 1 d D U . . .
O1_2 O 0.2257(2) 0.9297(2) 0.37899(13) 0.0290(6) Uani 1 1 d D U . . .
C1_2 C 0.2027(3) 1.0244(3) 0.34564(18) 0.0278(8) Uani 1 1 d D U . . .
C2_2 C 0.2295(4) 1.0116(3) 0.2722(2) 0.0431(11) Uani 1 1 d D U . . .
F1_2 F 0.3334(3) 0.9783(2) 0.25799(13) 0.0555(8) Uani 1 1 d D U . . .
F2_2 F 0.1816(3) 1.1014(2) 0.23565(13) 0.0609(9) Uani 1 1 d D U . . .
F3_2 F 0.2034(3) 0.9416(2) 0.25493(13) 0.0510(8) Uani 1 1 d D U . . .
C3_2 C 0.0845(4) 1.0963(4) 0.3568(2) 0.0447(11) Uani 1 1 d D U . . .
F4_2 F 0.0528(2) 1.0883(2) 0.41754(15) 0.0547(8) Uani 1 1 d D U . . .
F5_2 F 0.0277(2) 1.0725(2) 0.32170(17) 0.0598(8) Uani 1 1 d D U . . .
F6_2 F 0.0611(3) 1.1994(2) 0.33924(16) 0.0571(8) Uani 1 1 d D U . . .
C4_2 C 0.2669(4) 1.0768(3) 0.3682(2) 0.0385(10) Uani 1 1 d D U . . .
F7_2 F 0.2257(2) 1.1131(2) 0.42579(12) 0.0464(7) Uani 1 1 d D U . . .
F8_2 F 0.2670(3) 1.1557(2) 0.32755(13) 0.0518(8) Uani 1 1 d D U . . .
F9_2 F 0.3662(2) 1.0061(2) 0.37589(15) 0.0494(7) Uani 1 1 d D U . . .
O1_1 O 0.2635(2) 0.7276(2) 0.42795(13) 0.0287(6) Uani 1 1 d D U . . .
C1_1 C 0.1841(3) 0.7043(3) 0.42206(18) 0.0257(8) Uani 1 1 d D U . . .
C2_1 C 0.0758(3) 0.8030(3) 0.4297(2) 0.0370(10) Uani 1 1 d D U . . .
F1_1 F 0.0777(2) 0.8597(2) 0.47425(13) 0.0424(6) Uani 1 1 d D U . . .
F2_1 F -0.0033(2) 0.7768(2) 0.44755(15) 0.0492(7) Uani 1 1 d D U . . .
F3_1 F 0.0509(2) 0.8659(2) 0.37475(14) 0.0473(7) Uani 1 1 d D U . . .
C3_1 C 0.1921(4) 0.6663(4) 0.3551(2) 0.0421(11) Uani 1 1 d D U . . .
F4_1 F 0.2710(2) 0.5693(2) 0.35189(15) 0.0553(8) Uani 1 1 d D U . . .
F5_1 F 0.2124(3) 0.7281(2) 0.30840(12) 0.0500(7) Uani 1 1 d D U . . .
F6_1 F 0.1052(2) 0.6617(3) 0.34195(13) 0.0541(8) Uani 1 1 d D U . . .
C4_1 C 0.1886(3) 0.6171(3) 0.4761(2) 0.0358(10) Uani 1 1 d D U . . .
F7_1 F 0.2854(2) 0.5423(2) 0.48080(15) 0.0505(7) Uani 1 1 d D U . . .
F8_1 F 0.1281(2) 0.5711(2) 0.46577(14) 0.0468(7) Uani 1 1 d D U . . .
F9_1 F 0.1553(2) 0.6565(2) 0.53284(12) 0.0442(7) Uani 1 1 d D U . . .
Sn1 Sn 0.97447(2) 0.56722(2) 0.25081(2) 0.02573(8) Uani 1 1 d . . . . .
Al1 Al 0.32297(9) 0.80980(8) 0.40610(5) 0.0191(2) Uani 1 1 d D . . . .
Al2 Al 0.29563(9) 0.85439(9) 0.90510(5) 0.0205(2) Uani 1 1 d D . . . .
C4_11 C 1.0968(3) 0.3470(3) 0.1739(2) 0.0293(9) Uani 1 1 d . . . . .
H4_11 H 1.0957 0.3104 0.2152 0.035 Uiso 1 1 calc R U . . .
C3_11 C 1.1407(4) 0.2894(4) 0.1214(2) 0.0371(10) Uani 1 1 d . . . . .
H3_11 H 1.1696 0.2148 0.1274 0.045 Uiso 1 1 calc R U . . .
C2_11 C 1.1028(4) 0.4429(4) 0.0568(2) 0.0371(10) Uani 1 1 d . . . . .
H2_11 H 1.1039 0.4796 0.0156 0.045 Uiso 1 1 calc R U . . .
N2_11 N 1.1430(3) 0.3377(3) 0.0617(2) 0.0410(9) Uani 1 1 d . . . . .
C1_11 C 1.0601(4) 0.4998(4) 0.1092(2) 0.0348(10) Uani 1 1 d . . . . .
H1_11 H 1.0328 0.5743 0.1035 0.042 Uiso 1 1 calc R U . . .
N1_11 N 1.0562(3) 0.4511(3) 0.16904(18) 0.0311(8) Uani 1 1 d . . . . .
N1_12 N 1.0905(3) 0.4360(3) 0.32797(18) 0.0330(8) Uani 1 1 d . . . . .
C1_12 C 1.1938(3) 0.4007(3) 0.3238(2) 0.0315(9) Uani 1 1 d . . . . .
H1_12 H 1.2271 0.4114 0.2835 0.038 Uiso 1 1 calc R U . . .
N2_12 N 1.2142(3) 0.3302(3) 0.4329(2) 0.0396(9) Uani 1 1 d . . . . .
C2_12 C 1.2551(4) 0.3489(3) 0.3756(2) 0.0360(10) Uani 1 1 d . . . . .
H2_12 H 1.3289 0.3261 0.3699 0.043 Uiso 1 1 calc R U . . .
C3_12 C 1.1096(4) 0.3632(4) 0.4377(2) 0.0403(11) Uani 1 1 d . . . . .
H3_12 H 1.0772 0.3498 0.4777 0.048 Uiso 1 1 calc R U . . .
C4_12 C 1.0478(4) 0.4161(4) 0.3863(2) 0.0367(10) Uani 1 1 d . . . . .
H4_12 H 0.9740 0.4388 0.3919 0.044 Uiso 1 1 calc R U . . .
N1_13 N 0.8971(3) 0.4492(3) 0.27720(18) 0.0309(8) Uani 1 1 d . . . . .
C2_13 C 0.8023(4) 0.3310(3) 0.3114(2) 0.0333(9) Uani 1 1 d . . . . .
H2A_13 H 0.7296 0.3673 0.2985 0.050 Uiso 1 1 calc R U . . .
H2B_13 H 0.8027 0.3146 0.3583 0.050 Uiso 1 1 calc R U . . .
H2C_13 H 0.8397 0.2656 0.2905 0.050 Uiso 1 1 calc R U . . .
C1_13 C 0.8542(3) 0.3987(3) 0.29181(19) 0.0277(9) Uani 1 1 d . . . . .
N1_14 N 0.8744(3) 0.6384(3) 0.37291(19) 0.0404(9) Uani 1 1 d . . . . .
C2_14 C 0.7557(4) 0.8180(4) 0.4192(2) 0.0375(10) Uani 1 1 d . . . . .
H2A_14 H 0.7909 0.8639 0.4107 0.056 Uiso 1 1 calc R U . . .
H2B_14 H 0.7426 0.8062 0.4658 0.056 Uiso 1 1 calc R U . . .
H2C_14 H 0.6887 0.8515 0.3984 0.056 Uiso 1 1 calc R U . . .
C1_14 C 0.8226(4) 0.7169(4) 0.3934(2) 0.0350(10) Uani 1 1 d . . . . .
N1_15 N 0.8306(3) 0.6205(3) 0.1618(2) 0.0406(9) Uani 1 1 d . . . . .
C2_15 C 0.6754(4) 0.7241(4) 0.0889(3) 0.0533(14) Uani 1 1 d . . . . .
H2A_15 H 0.7016 0.7254 0.0437 0.080 Uiso 1 1 calc R U . . .
H2B_15 H 0.6363 0.7963 0.1009 0.080 Uiso 1 1 calc R U . . .
H2C_15 H 0.6290 0.6895 0.0947 0.080 Uiso 1 1 calc R U . . .
C1_15 C 0.7638(4) 0.6661(4) 0.1297(2) 0.0347(10) Uani 1 1 d . . . . .
N1_16 N 1.1570(3) 0.5745(3) 0.20357(19) 0.0371(9) Uani 1 1 d . . . . .
C2_16 C 1.3108(4) 0.6220(5) 0.1671(3) 0.0529(14) Uani 1 1 d . . . . .
H2A_16 H 1.3344 0.6061 0.1224 0.079 Uiso 1 1 calc R U . . .
H2B_16 H 1.3688 0.5800 0.1952 0.079 Uiso 1 1 calc R U . . .
H2C_16 H 1.2881 0.6971 0.1702 0.079 Uiso 1 1 calc R U . . .
C1_16 C 1.2232(4) 0.5965(4) 0.1871(2) 0.0336(10) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1_10 C1_10 1.353(18) . ?
O1_10 Al2 1.729(14) . ?
C1_10 C3_10 1.549(13) . ?
C1_10 C2_10 1.550(13) . ?
C1_10 C4_10 1.551(14) . ?
C2_10 F1_10 1.327(14) . ?
C2_10 F2_10 1.332(14) . ?
C2_10 F3_10 1.339(14) . ?
C3_10 F5_10 1.328(14) . ?
C3_10 F6_10 1.333(14) . ?
C3_10 F4_10 1.334(14) . ?
C4_10 F9_10 1.329(14) . ?
C4_10 F8_10 1.331(14) . ?
C4_10 F7_10 1.336(14) . ?
O1_9 C1_9 1.354(13) . ?
O1_9 Al2 1.724(10) . ?
C1_9 C4_9 1.543(11) . ?
C1_9 C2_9 1.547(11) . ?
C1_9 C3_9 1.549(11) . ?
C2_9 F1_9 1.325(9) . ?
C2_9 F3_9 1.332(12) . ?
C2_9 F2_9 1.336(10) . ?
C3_9 F4_9 1.329(11) . ?
C3_9 F6_9 1.332(9) . ?
C3_9 F5_9 1.337(10) . ?
C4_9 F7_9 1.326(10) . ?
C4_9 F9_9 1.331(11) . ?
C4_9 F8_9 1.334(9) . ?
O1_8 C1_8 1.362(12) . ?
O1_8 Al2 1.730(9) . ?
C1_8 C4_8 1.546(10) . ?
C1_8 C3_8 1.548(10) . ?
C1_8 C2_8 1.552(10) . ?
C2_8 F1_8 1.329(12) . ?
C2_8 F2_8 1.334(10) . ?
C2_8 F3_8 1.348(8) . ?
C3_8 F4_8 1.325(10) . ?
C3_8 F5_8 1.331(10) . ?
C3_8 F6_8 1.343(8) . ?
C4_8 F7_8 1.316(11) . ?
C4_8 F8_8 1.333(9) . ?
C4_8 F9_8 1.333(8) . ?
O1_7 C1_7 1.349(4) . ?
O1_7 Al2 1.733(3) . ?
C1_7 C2_7 1.545(5) . ?
C1_7 C4_7 1.548(5) . ?
C1_7 C3_7 1.557(5) . ?
C2_7 F3_7 1.333(5) . ?
C2_7 F2_7 1.334(5) . ?
C2_7 F1_7 1.340(5) . ?
C3_7 F4_7 1.320(5) . ?
C3_7 F6_7 1.336(5) . ?
C3_7 F5_7 1.343(5) . ?
C4_7 F7_7 1.335(5) . ?
C4_7 F9_7 1.336(5) . ?
C4_7 F8_7 1.342(5) . ?
O1_6 C1_6 1.359(4) . ?
O1_6 Al2 1.716(3) . ?
C1_6 C4_6 1.541(5) . ?
C1_6 C3_6 1.548(5) . ?
C1_6 C2_6 1.554(5) . ?
C2_6 F3_6 1.330(5) . ?
C2_6 F1_6 1.333(5) . ?
C2_6 F2_6 1.339(5) . ?
C3_6 F4_6 1.323(5) . ?
C3_6 F6_6 1.335(4) . ?
C3_6 F5_6 1.343(5) . ?
C4_6 F7_6 1.325(5) . ?
C4_6 F9_6 1.339(5) . ?
C4_6 F8_6 1.343(5) . ?
O1_5 C1_5 1.351(5) . ?
O1_5 Al2 1.724(3) . ?
C1_5 C2_5 1.544(7) . ?
C1_5 C4_5 1.545(6) . ?
C1_5 C3_5 1.559(6) . ?
C2_5 F3_5 1.322(6) . ?
C2_5 F1_5 1.329(7) . ?
C2_5 F2_5 1.346(6) . ?
C3_5 F4_5 1.317(7) . ?
C3_5 F5_5 1.328(6) . ?
C3_5 F6_5 1.354(6) . ?
C4_5 F7_5 1.327(5) . ?
C4_5 F8_5 1.333(6) . ?
C4_5 F9_5 1.335(5) . ?
O1_4 C1_4 1.352(4) . ?
O1_4 Al1 1.721(3) . ?
C1_4 C3_4 1.544(5) . ?
C1_4 C4_4 1.553(5) . ?
C1_4 C2_4 1.561(5) . ?
C2_4 F2_4 1.324(4) . ?
C2_4 F1_4 1.325(4) . ?
C2_4 F3_4 1.327(4) . ?
C3_4 F4_4 1.324(5) . ?
C3_4 F6_4 1.335(4) . ?
C3_4 F5_4 1.336(5) . ?
C4_4 F7_4 1.319(5) . ?
C4_4 F9_4 1.319(5) . ?
C4_4 F8_4 1.350(5) . ?
O1_3 C1_3 1.347(5) . ?
O1_3 Al1 1.730(3) . ?
C1_3 C4_3 1.550(5) . ?
C1_3 C3_3 1.551(6) . ?
C1_3 C2_3 1.552(5) . ?
C2_3 F1_3 1.325(5) . ?
C2_3 F3_3 1.327(5) . ?
C2_3 F2_3 1.338(5) . ?
C3_3 F4_3 1.324(5) . ?
C3_3 F5_3 1.339(5) . ?
C3_3 F6_3 1.345(5) . ?
C4_3 F8_3 1.329(5) . ?
C4_3 F9_3 1.333(5) . ?
C4_3 F7_3 1.334(5) . ?
O1_2 C1_2 1.349(4) . ?
O1_2 Al1 1.719(3) . ?
C1_2 C3_2 1.539(6) . ?
C1_2 C2_2 1.558(5) . ?
C1_2 C4_2 1.563(6) . ?
C2_2 F3_2 1.319(5) . ?
C2_2 F2_2 1.327(5) . ?
C2_2 F1_2 1.348(6) . ?
C3_2 F4_2 1.310(5) . ?
C3_2 F5_2 1.330(5) . ?
C3_2 F6_2 1.362(5) . ?
C4_2 F8_2 1.318(5) . ?
C4_2 F9_2 1.332(5) . ?
C4_2 F7_2 1.343(5) . ?
O1_1 C1_1 1.340(4) . ?
O1_1 Al1 1.724(3) . ?
C1_1 C4_1 1.548(5) . ?
C1_1 C3_1 1.549(5) . ?
C1_1 C2_1 1.565(6) . ?
C2_1 F1_1 1.328(5) . ?
C2_1 F3_1 1.335(5) . ?
C2_1 F2_1 1.342(5) . ?
C3_1 F5_1 1.323(5) . ?
C3_1 F6_1 1.332(5) . ?
C3_1 F4_1 1.339(5) . ?
C4_1 F7_1 1.317(5) . ?
C4_1 F9_1 1.331(5) . ?
C4_1 F8_1 1.348(5) . ?
Sn1 N1_11 2.373(4) . ?
Sn1 N1_13 2.379(3) . ?
Sn1 N1_12 2.421(3) . ?
C4_11 N1_11 1.324(5) . ?
C4_11 C3_11 1.382(6) . ?
C4_11 H4_11 0.9500 . ?
C3_11 N2_11 1.348(6) . ?
C3_11 H3_11 0.9500 . ?
C2_11 N2_11 1.339(6) . ?
C2_11 C1_11 1.372(6) . ?
C2_11 H2_11 0.9500 . ?
C1_11 N1_11 1.356(6) . ?
C1_11 H1_11 0.9500 . ?
N1_12 C1_12 1.322(5) . ?
N1_12 C4_12 1.357(6) . ?
C1_12 C2_12 1.382(6) . ?
C1_12 H1_12 0.9500 . ?
N2_12 C2_12 1.323(6) . ?
N2_12 C3_12 1.344(6) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.379(6) . ?
C3_12 H3_12 0.9500 . ?
C4_12 H4_12 0.9500 . ?
N1_13 C1_13 1.133(5) . ?
C2_13 C1_13 1.456(6) . ?
C2_13 H2A_13 0.9800 . ?
C2_13 H2B_13 0.9800 . ?
C2_13 H2C_13 0.9800 . ?
N1_14 C1_14 1.141(6) . ?
C2_14 C1_14 1.464(7) . ?
C2_14 H2A_14 0.9800 . ?
C2_14 H2B_14 0.9800 . ?
C2_14 H2C_14 0.9800 . ?
N1_15 C1_15 1.118(6) . ?
C2_15 C1_15 1.457(7) . ?
C2_15 H2A_15 0.9800 . ?
C2_15 H2B_15 0.9800 . ?
C2_15 H2C_15 0.9800 . ?
N1_16 C1_16 1.130(6) . ?
C2_16 C1_16 1.458(7) . ?
C2_16 H2A_16 0.9800 . ?
C2_16 H2B_16 0.9800 . ?
C2_16 H2C_16 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1_10 O1_10 Al2 154(3) . . ?
O1_10 C1_10 C3_10 110(2) . . ?
O1_10 C1_10 C2_10 110(2) . . ?
C3_10 C1_10 C2_10 108.5(16) . . ?
O1_10 C1_10 C4_10 110.0(18) . . ?
C3_10 C1_10 C4_10 108.2(16) . . ?
C2_10 C1_10 C4_10 109.5(16) . . ?
F1_10 C2_10 F2_10 108(2) . . ?
F1_10 C2_10 F3_10 106.6(19) . . ?
F2_10 C2_10 F3_10 107(2) . . ?
F1_10 C2_10 C1_10 111(2) . . ?
F2_10 C2_10 C1_10 113(4) . . ?
F3_10 C2_10 C1_10 110(2) . . ?
F5_10 C3_10 F6_10 108(2) . . ?
F5_10 C3_10 F4_10 106(2) . . ?
F6_10 C3_10 F4_10 107(2) . . ?
F5_10 C3_10 C1_10 111(3) . . ?
F6_10 C3_10 C1_10 113(4) . . ?
F4_10 C3_10 C1_10 111(2) . . ?
F9_10 C4_10 F8_10 108(2) . . ?
F9_10 C4_10 F7_10 107(2) . . ?
F8_10 C4_10 F7_10 108(2) . . ?
F9_10 C4_10 C1_10 110(2) . . ?
F8_10 C4_10 C1_10 113(4) . . ?
F7_10 C4_10 C1_10 111(2) . . ?
C1_9 O1_9 Al2 143.1(16) . . ?
O1_9 C1_9 C4_9 111.9(13) . . ?
O1_9 C1_9 C2_9 107.3(10) . . ?
C4_9 C1_9 C2_9 109.2(8) . . ?
O1_9 C1_9 C3_9 110.6(14) . . ?
C4_9 C1_9 C3_9 108.7(8) . . ?
C2_9 C1_9 C3_9 109.1(8) . . ?
F1_9 C2_9 F3_9 106.9(11) . . ?
F1_9 C2_9 F2_9 106.9(8) . . ?
F3_9 C2_9 F2_9 108.3(16) . . ?
F1_9 C2_9 C1_9 111.3(7) . . ?
F3_9 C2_9 C1_9 109.7(17) . . ?
F2_9 C2_9 C1_9 113.4(12) . . ?
F4_9 C3_9 F6_9 109.1(12) . . ?
F4_9 C3_9 F5_9 104.9(9) . . ?
F6_9 C3_9 F5_9 107.7(8) . . ?
F4_9 C3_9 C1_9 109.5(13) . . ?
F6_9 C3_9 C1_9 114.6(8) . . ?
F5_9 C3_9 C1_9 110.5(7) . . ?
F7_9 C4_9 F9_9 105.5(11) . . ?
F7_9 C4_9 F8_9 106.0(10) . . ?
F9_9 C4_9 F8_9 108.4(12) . . ?
F7_9 C4_9 C1_9 113.4(9) . . ?
F9_9 C4_9 C1_9 110.7(13) . . ?
F8_9 C4_9 C1_9 112.6(10) . . ?
C1_8 O1_8 Al2 147.0(14) . . ?
O1_8 C1_8 C4_8 109.0(11) . . ?
O1_8 C1_8 C3_8 112.0(11) . . ?
C4_8 C1_8 C3_8 109.2(7) . . ?
O1_8 C1_8 C2_8 107.6(10) . . ?
C4_8 C1_8 C2_8 109.7(7) . . ?
C3_8 C1_8 C2_8 109.3(7) . . ?
F1_8 C2_8 F2_8 106.3(14) . . ?
F1_8 C2_8 F3_8 108.2(10) . . ?
F2_8 C2_8 F3_8 106.0(8) . . ?
F1_8 C2_8 C1_8 113.0(15) . . ?
F2_8 C2_8 C1_8 113.3(11) . . ?
F3_8 C2_8 C1_8 109.7(6) . . ?
F4_8 C3_8 F5_8 107.0(9) . . ?
F4_8 C3_8 F6_8 107.6(8) . . ?
F5_8 C3_8 F6_8 106.5(10) . . ?
F4_8 C3_8 C1_8 112.1(7) . . ?
F5_8 C3_8 C1_8 112.1(10) . . ?
F6_8 C3_8 C1_8 111.3(7) . . ?
F7_8 C4_8 F8_8 107.7(11) . . ?
F7_8 C4_8 F9_8 107.7(9) . . ?
F8_8 C4_8 F9_8 107.1(6) . . ?
F7_8 C4_8 C1_8 110.8(10) . . ?
F8_8 C4_8 C1_8 112.5(8) . . ?
F9_8 C4_8 C1_8 110.8(6) . . ?
C1_7 O1_7 Al2 148.0(2) . . ?
O1_7 C1_7 C2_7 110.3(3) . . ?
O1_7 C1_7 C4_7 108.2(3) . . ?
C2_7 C1_7 C4_7 108.9(3) . . ?
O1_7 C1_7 C3_7 112.2(3) . . ?
C2_7 C1_7 C3_7 109.0(3) . . ?
C4_7 C1_7 C3_7 108.2(3) . . ?
F3_7 C2_7 F2_7 107.2(3) . . ?
F3_7 C2_7 F1_7 107.7(4) . . ?
F2_7 C2_7 F1_7 107.8(3) . . ?
F3_7 C2_7 C1_7 110.2(3) . . ?
F2_7 C2_7 C1_7 112.6(3) . . ?
F1_7 C2_7 C1_7 111.0(3) . . ?
F4_7 C3_7 F6_7 107.8(3) . . ?
F4_7 C3_7 F5_7 108.4(3) . . ?
F6_7 C3_7 F5_7 107.3(3) . . ?
F4_7 C3_7 C1_7 110.1(3) . . ?
F6_7 C3_7 C1_7 112.9(3) . . ?
F5_7 C3_7 C1_7 110.1(3) . . ?
F7_7 C4_7 F9_7 107.9(4) . . ?
F7_7 C4_7 F8_7 107.0(4) . . ?
F9_7 C4_7 F8_7 107.3(4) . . ?
F7_7 C4_7 C1_7 111.2(4) . . ?
F9_7 C4_7 C1_7 110.4(4) . . ?
F8_7 C4_7 C1_7 112.8(4) . . ?
C1_6 O1_6 Al2 147.9(3) . . ?
O1_6 C1_6 C4_6 108.0(3) . . ?
O1_6 C1_6 C3_6 110.2(3) . . ?
C4_6 C1_6 C3_6 109.1(3) . . ?
O1_6 C1_6 C2_6 111.0(3) . . ?
C4_6 C1_6 C2_6 109.1(3) . . ?
C3_6 C1_6 C2_6 109.5(3) . . ?
F3_6 C2_6 F1_6 107.8(4) . . ?
F3_6 C2_6 F2_6 107.1(3) . . ?
F1_6 C2_6 F2_6 107.4(3) . . ?
F3_6 C2_6 C1_6 111.6(3) . . ?
F1_6 C2_6 C1_6 110.8(3) . . ?
F2_6 C2_6 C1_6 111.9(4) . . ?
F4_6 C3_6 F6_6 108.4(3) . . ?
F4_6 C3_6 F5_6 106.9(3) . . ?
F6_6 C3_6 F5_6 107.1(3) . . ?
F4_6 C3_6 C1_6 111.2(3) . . ?
F6_6 C3_6 C1_6 112.6(3) . . ?
F5_6 C3_6 C1_6 110.4(3) . . ?
F7_6 C4_6 F9_6 107.1(4) . . ?
F7_6 C4_6 F8_6 107.7(4) . . ?
F9_6 C4_6 F8_6 106.7(3) . . ?
F7_6 C4_6 C1_6 111.2(3) . . ?
F9_6 C4_6 C1_6 111.7(4) . . ?
F8_6 C4_6 C1_6 112.2(3) . . ?
C1_5 O1_5 Al2 147.1(4) . . ?
O1_5 C1_5 C2_5 110.4(4) . . ?
O1_5 C1_5 C4_5 111.3(4) . . ?
C2_5 C1_5 C4_5 110.2(4) . . ?
O1_5 C1_5 C3_5 106.8(4) . . ?
C2_5 C1_5 C3_5 109.7(4) . . ?
C4_5 C1_5 C3_5 108.2(4) . . ?
F3_5 C2_5 F1_5 108.3(5) . . ?
F3_5 C2_5 F2_5 107.4(4) . . ?
F1_5 C2_5 F2_5 106.3(5) . . ?
F3_5 C2_5 C1_5 110.8(5) . . ?
F1_5 C2_5 C1_5 111.2(4) . . ?
F2_5 C2_5 C1_5 112.7(5) . . ?
F4_5 C3_5 F5_5 107.7(5) . . ?
F4_5 C3_5 F6_5 107.7(5) . . ?
F5_5 C3_5 F6_5 107.2(5) . . ?
F4_5 C3_5 C1_5 111.7(4) . . ?
F5_5 C3_5 C1_5 111.3(5) . . ?
F6_5 C3_5 C1_5 111.1(5) . . ?
F7_5 C4_5 F8_5 107.7(4) . . ?
F7_5 C4_5 F9_5 107.7(4) . . ?
F8_5 C4_5 F9_5 108.0(4) . . ?
F7_5 C4_5 C1_5 111.7(4) . . ?
F8_5 C4_5 C1_5 112.1(4) . . ?
F9_5 C4_5 C1_5 109.6(4) . . ?
C1_4 O1_4 Al1 150.7(3) . . ?
O1_4 C1_4 C3_4 110.1(3) . . ?
O1_4 C1_4 C4_4 107.8(3) . . ?
C3_4 C1_4 C4_4 109.7(3) . . ?
O1_4 C1_4 C2_4 111.5(3) . . ?
C3_4 C1_4 C2_4 108.9(3) . . ?
C4_4 C1_4 C2_4 108.8(3) . . ?
F2_4 C2_4 F1_4 107.8(3) . . ?
F2_4 C2_4 F3_4 108.0(3) . . ?
F1_4 C2_4 F3_4 107.0(3) . . ?
F2_4 C2_4 C1_4 112.4(3) . . ?
F1_4 C2_4 C1_4 110.5(3) . . ?
F3_4 C2_4 C1_4 110.9(3) . . ?
F4_4 C3_4 F6_4 108.0(3) . . ?
F4_4 C3_4 F5_4 106.6(3) . . ?
F6_4 C3_4 F5_4 106.4(3) . . ?
F4_4 C3_4 C1_4 111.9(3) . . ?
F6_4 C3_4 C1_4 113.1(3) . . ?
F5_4 C3_4 C1_4 110.5(3) . . ?
F7_4 C4_4 F9_4 108.4(3) . . ?
F7_4 C4_4 F8_4 105.8(3) . . ?
F9_4 C4_4 F8_4 107.6(3) . . ?
F7_4 C4_4 C1_4 111.2(3) . . ?
F9_4 C4_4 C1_4 111.5(3) . . ?
F8_4 C4_4 C1_4 112.1(3) . . ?
C1_3 O1_3 Al1 147.8(3) . . ?
O1_3 C1_3 C4_3 112.0(3) . . ?
O1_3 C1_3 C3_3 109.4(3) . . ?
C4_3 C1_3 C3_3 109.1(3) . . ?
O1_3 C1_3 C2_3 108.3(3) . . ?
C4_3 C1_3 C2_3 109.3(3) . . ?
C3_3 C1_3 C2_3 108.7(3) . . ?
F1_3 C2_3 F3_3 107.9(4) . . ?
F1_3 C2_3 F2_3 108.0(4) . . ?
F3_3 C2_3 F2_3 106.7(4) . . ?
F1_3 C2_3 C1_3 110.6(4) . . ?
F3_3 C2_3 C1_3 110.6(4) . . ?
F2_3 C2_3 C1_3 112.9(3) . . ?
F4_3 C3_3 F5_3 107.7(4) . . ?
F4_3 C3_3 F6_3 107.4(4) . . ?
F5_3 C3_3 F6_3 106.8(4) . . ?
F4_3 C3_3 C1_3 111.5(3) . . ?
F5_3 C3_3 C1_3 111.3(3) . . ?
F6_3 C3_3 C1_3 112.0(4) . . ?
F8_3 C4_3 F9_3 107.4(4) . . ?
F8_3 C4_3 F7_3 107.5(3) . . ?
F9_3 C4_3 F7_3 107.7(3) . . ?
F8_3 C4_3 C1_3 113.1(3) . . ?
F9_3 C4_3 C1_3 110.0(3) . . ?
F7_3 C4_3 C1_3 111.0(3) . . ?
C1_2 O1_2 Al1 146.5(3) . . ?
O1_2 C1_2 C3_2 108.9(3) . . ?
O1_2 C1_2 C2_2 110.1(3) . . ?
C3_2 C1_2 C2_2 109.3(3) . . ?
O1_2 C1_2 C4_2 110.9(3) . . ?
C3_2 C1_2 C4_2 109.1(3) . . ?
C2_2 C1_2 C4_2 108.5(3) . . ?
F3_2 C2_2 F2_2 108.4(4) . . ?
F3_2 C2_2 F1_2 107.7(4) . . ?
F2_2 C2_2 F1_2 106.3(4) . . ?
F3_2 C2_2 C1_2 110.7(4) . . ?
F2_2 C2_2 C1_2 112.7(4) . . ?
F1_2 C2_2 C1_2 110.8(4) . . ?
F4_2 C3_2 F5_2 108.3(4) . . ?
F4_2 C3_2 F6_2 107.5(4) . . ?
F5_2 C3_2 F6_2 106.6(4) . . ?
F4_2 C3_2 C1_2 111.5(4) . . ?
F5_2 C3_2 C1_2 111.1(4) . . ?
F6_2 C3_2 C1_2 111.6(4) . . ?
F8_2 C4_2 F9_2 108.2(4) . . ?
F8_2 C4_2 F7_2 108.5(3) . . ?
F9_2 C4_2 F7_2 107.4(4) . . ?
F8_2 C4_2 C1_2 113.0(4) . . ?
F9_2 C4_2 C1_2 110.4(3) . . ?
F7_2 C4_2 C1_2 109.2(4) . . ?
C1_1 O1_1 Al1 148.9(3) . . ?
O1_1 C1_1 C4_1 108.3(3) . . ?
O1_1 C1_1 C3_1 110.9(3) . . ?
C4_1 C1_1 C3_1 110.2(3) . . ?
O1_1 C1_1 C2_1 110.8(3) . . ?
C4_1 C1_1 C2_1 108.6(3) . . ?
C3_1 C1_1 C2_1 108.0(3) . . ?
F1_1 C2_1 F3_1 107.4(4) . . ?
F1_1 C2_1 F2_1 107.2(4) . . ?
F3_1 C2_1 F2_1 107.1(3) . . ?
F1_1 C2_1 C1_1 110.7(3) . . ?
F3_1 C2_1 C1_1 111.8(4) . . ?
F2_1 C2_1 C1_1 112.3(3) . . ?
F5_1 C3_1 F6_1 108.0(4) . . ?
F5_1 C3_1 F4_1 106.9(4) . . ?
F6_1 C3_1 F4_1 107.0(4) . . ?
F5_1 C3_1 C1_1 111.4(3) . . ?
F6_1 C3_1 C1_1 113.1(4) . . ?
F4_1 C3_1 C1_1 110.2(4) . . ?
F7_1 C4_1 F9_1 108.1(4) . . ?
F7_1 C4_1 F8_1 107.3(3) . . ?
F9_1 C4_1 F8_1 107.0(3) . . ?
F7_1 C4_1 C1_1 110.7(3) . . ?
F9_1 C4_1 C1_1 110.8(3) . . ?
F8_1 C4_1 C1_1 112.7(3) . . ?
N1_11 Sn1 N1_13 79.17(12) . . ?
N1_11 Sn1 N1_12 89.91(13) . . ?
N1_13 Sn1 N1_12 77.11(12) . . ?
O1_2 Al1 O1_4 113.50(15) . . ?
O1_2 Al1 O1_1 106.32(15) . . ?
O1_4 Al1 O1_1 108.85(14) . . ?
O1_2 Al1 O1_3 108.27(14) . . ?
O1_4 Al1 O1_3 107.77(15) . . ?
O1_1 Al1 O1_3 112.22(15) . . ?
O1_6 Al2 O1_5 107.0(2) . . ?
O1_6 Al2 O1_9 110.0(8) . . ?
O1_6 Al2 O1_10 111.1(18) . . ?
O1_9 Al2 O1_10 109(2) . . ?
O1_6 Al2 O1_8 105.3(6) . . ?
O1_5 Al2 O1_8 114.5(8) . . ?
O1_6 Al2 O1_7 114.62(14) . . ?
O1_5 Al2 O1_7 107.8(2) . . ?
O1_9 Al2 O1_7 107.4(7) . . ?
O1_10 Al2 O1_7 104.1(18) . . ?
O1_8 Al2 O1_7 107.7(6) . . ?
N1_11 C4_11 C3_11 122.6(4) . . ?
N1_11 C4_11 H4_11 118.7 . . ?
C3_11 C4_11 H4_11 118.7 . . ?
N2_11 C3_11 C4_11 121.0(4) . . ?
N2_11 C3_11 H3_11 119.5 . . ?
C4_11 C3_11 H3_11 119.5 . . ?
N2_11 C2_11 C1_11 122.4(4) . . ?
N2_11 C2_11 H2_11 118.8 . . ?
C1_11 C2_11 H2_11 118.8 . . ?
C2_11 N2_11 C3_11 116.4(4) . . ?
N1_11 C1_11 C2_11 121.0(4) . . ?
N1_11 C1_11 H1_11 119.5 . . ?
C2_11 C1_11 H1_11 119.5 . . ?
C4_11 N1_11 C1_11 116.6(4) . . ?
C4_11 N1_11 Sn1 129.0(3) . . ?
C1_11 N1_11 Sn1 114.4(3) . . ?
C1_12 N1_12 C4_12 115.9(4) . . ?
C1_12 N1_12 Sn1 124.0(3) . . ?
C4_12 N1_12 Sn1 118.1(3) . . ?
N1_12 C1_12 C2_12 122.7(4) . . ?
N1_12 C1_12 H1_12 118.6 . . ?
C2_12 C1_12 H1_12 118.6 . . ?
C2_12 N2_12 C3_12 116.2(4) . . ?
N2_12 C2_12 C1_12 122.0(4) . . ?
N2_12 C2_12 H2_12 119.0 . . ?
C1_12 C2_12 H2_12 119.0 . . ?
N2_12 C3_12 C4_12 122.1(5) . . ?
N2_12 C3_12 H3_12 118.9 . . ?
C4_12 C3_12 H3_12 118.9 . . ?
N1_12 C4_12 C3_12 121.2(4) . . ?
N1_12 C4_12 H4_12 119.4 . . ?
C3_12 C4_12 H4_12 119.4 . . ?
C1_13 N1_13 Sn1 175.0(3) . . ?
C1_13 C2_13 H2A_13 109.5 . . ?
C1_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2B_13 109.5 . . ?
C1_13 C2_13 H2C_13 109.5 . . ?
H2A_13 C2_13 H2C_13 109.5 . . ?
H2B_13 C2_13 H2C_13 109.5 . . ?
N1_13 C1_13 C2_13 178.1(5) . . ?
C1_14 C2_14 H2A_14 109.5 . . ?
C1_14 C2_14 H2B_14 109.5 . . ?
H2A_14 C2_14 H2B_14 109.5 . . ?
C1_14 C2_14 H2C_14 109.5 . . ?
H2A_14 C2_14 H2C_14 109.5 . . ?
H2B_14 C2_14 H2C_14 109.5 . . ?
N1_14 C1_14 C2_14 179.6(5) . . ?
C1_15 C2_15 H2A_15 109.5 . . ?
C1_15 C2_15 H2B_15 109.5 . . ?
H2A_15 C2_15 H2B_15 109.5 . . ?
C1_15 C2_15 H2C_15 109.5 . . ?
H2A_15 C2_15 H2C_15 109.5 . . ?
H2B_15 C2_15 H2C_15 109.5 . . ?
N1_15 C1_15 C2_15 178.6(5) . . ?
C1_16 C2_16 H2A_16 109.5 . . ?
C1_16 C2_16 H2B_16 109.5 . . ?
H2A_16 C2_16 H2B_16 109.5 . . ?
C1_16 C2_16 H2C_16 109.5 . . ?
H2A_16 C2_16 H2C_16 109.5 . . ?
H2B_16 C2_16 H2C_16 109.5 . . ?
N1_16 C1_16 C2_16 178.2(5) . . ?

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
Al2 O1_10 C1_10 C3_10 88(9) . . . . ?
Al2 O1_10 C1_10 C2_10 -32(9) . . . . ?
Al2 O1_10 C1_10 C4_10 -153(9) . . . . ?
O1_10 C1_10 C2_10 F1_10 -41(3) . . . . ?
C3_10 C1_10 C2_10 F1_10 -162(2) . . . . ?
C4_10 C1_10 C2_10 F1_10 80(3) . . . . ?
O1_10 C1_10 C2_10 F2_10 -162(3) . . . . ?
C3_10 C1_10 C2_10 F2_10 77(3) . . . . ?
C4_10 C1_10 C2_10 F2_10 -41(3) . . . . ?
O1_10 C1_10 C2_10 F3_10 77(3) . . . . ?
C3_10 C1_10 C2_10 F3_10 -44(3) . . . . ?
C4_10 C1_10 C2_10 F3_10 -162(3) . . . . ?
O1_10 C1_10 C3_10 F5_10 -45(3) . . . . ?
C2_10 C1_10 C3_10 F5_10 76(3) . . . . ?
C4_10 C1_10 C3_10 F5_10 -165(3) . . . . ?
O1_10 C1_10 C3_10 F6_10 -167(3) . . . . ?
C2_10 C1_10 C3_10 F6_10 -46(3) . . . . ?
C4_10 C1_10 C3_10 F6_10 73(3) . . . . ?
O1_10 C1_10 C3_10 F4_10 73(3) . . . . ?
C2_10 C1_10 C3_10 F4_10 -166(2) . . . . ?
C4_10 C1_10 C3_10 F4_10 -47(3) . . . . ?
O1_10 C1_10 C4_10 F9_10 76(3) . . . . ?
C3_10 C1_10 C4_10 F9_10 -164(3) . . . . ?
C2_10 C1_10 C4_10 F9_10 -46(3) . . . . ?
O1_10 C1_10 C4_10 F8_10 -164(3) . . . . ?
C3_10 C1_10 C4_10 F8_10 -43(3) . . . . ?
C2_10 C1_10 C4_10 F8_10 75(3) . . . . ?
O1_10 C1_10 C4_10 F7_10 -43(3) . . . . ?
C3_10 C1_10 C4_10 F7_10 78(3) . . . . ?
C2_10 C1_10 C4_10 F7_10 -164(3) . . . . ?
Al2 O1_9 C1_9 C4_9 59(3) . . . . ?
Al2 O1_9 C1_9 C2_9 178(3) . . . . ?
Al2 O1_9 C1_9 C3_9 -63(3) . . . . ?
O1_9 C1_9 C2_9 F1_9 -78.8(15) . . . . ?
C4_9 C1_9 C2_9 F1_9 42.7(11) . . . . ?
C3_9 C1_9 C2_9 F1_9 161.3(8) . . . . ?
O1_9 C1_9 C2_9 F3_9 39(2) . . . . ?
C4_9 C1_9 C2_9 F3_9 160.9(15) . . . . ?
C3_9 C1_9 C2_9 F3_9 -80.5(16) . . . . ?
O1_9 C1_9 C2_9 F2_9 160.6(16) . . . . ?
C4_9 C1_9 C2_9 F2_9 -77.9(13) . . . . ?
C3_9 C1_9 C2_9 F2_9 40.7(14) . . . . ?
O1_9 C1_9 C3_9 F4_9 43.8(15) . . . . ?
C4_9 C1_9 C3_9 F4_9 -79.4(12) . . . . ?
C2_9 C1_9 C3_9 F4_9 161.6(11) . . . . ?
O1_9 C1_9 C3_9 F6_9 166.8(12) . . . . ?
C4_9 C1_9 C3_9 F6_9 43.6(11) . . . . ?
C2_9 C1_9 C3_9 F6_9 -75.4(11) . . . . ?
O1_9 C1_9 C3_9 F5_9 -71.2(14) . . . . ?
C4_9 C1_9 C3_9 F5_9 165.5(8) . . . . ?
C2_9 C1_9 C3_9 F5_9 46.5(11) . . . . ?
O1_9 C1_9 C4_9 F7_9 -83.0(15) . . . . ?
C2_9 C1_9 C4_9 F7_9 158.4(10) . . . . ?
C3_9 C1_9 C4_9 F7_9 39.5(13) . . . . ?
O1_9 C1_9 C4_9 F9_9 35.3(16) . . . . ?
C2_9 C1_9 C4_9 F9_9 -83.3(13) . . . . ?
C3_9 C1_9 C4_9 F9_9 157.8(11) . . . . ?
O1_9 C1_9 C4_9 F8_9 156.7(13) . . . . ?
C2_9 C1_9 C4_9 F8_9 38.1(11) . . . . ?
C3_9 C1_9 C4_9 F8_9 -80.8(10) . . . . ?
Al2 O1_8 C1_8 C4_8 113(3) . . . . ?
Al2 O1_8 C1_8 C3_8 -8(3) . . . . ?
Al2 O1_8 C1_8 C2_8 -129(3) . . . . ?
O1_8 C1_8 C2_8 F1_8 -43.0(16) . . . . ?
C4_8 C1_8 C2_8 F1_8 75.5(14) . . . . ?
C3_8 C1_8 C2_8 F1_8 -164.9(13) . . . . ?
O1_8 C1_8 C2_8 F2_8 -164.1(12) . . . . ?
C4_8 C1_8 C2_8 F2_8 -45.5(11) . . . . ?
C3_8 C1_8 C2_8 F2_8 74.1(10) . . . . ?
O1_8 C1_8 C2_8 F3_8 77.8(12) . . . . ?
C4_8 C1_8 C2_8 F3_8 -163.7(7) . . . . ?
C3_8 C1_8 C2_8 F3_8 -44.1(10) . . . . ?
O1_8 C1_8 C3_8 F4_8 79.3(14) . . . . ?
C4_8 C1_8 C3_8 F4_8 -41.5(11) . . . . ?
C2_8 C1_8 C3_8 F4_8 -161.5(9) . . . . ?
O1_8 C1_8 C3_8 F5_8 -41.0(15) . . . . ?
C4_8 C1_8 C3_8 F5_8 -161.9(10) . . . . ?
C2_8 C1_8 C3_8 F5_8 78.1(12) . . . . ?
O1_8 C1_8 C3_8 F6_8 -160.2(12) . . . . ?
C4_8 C1_8 C3_8 F6_8 78.9(9) . . . . ?
C2_8 C1_8 C3_8 F6_8 -41.0(10) . . . . ?
O1_8 C1_8 C4_8 F7_8 -45.0(14) . . . . ?
C3_8 C1_8 C4_8 F7_8 77.7(12) . . . . ?
C2_8 C1_8 C4_8 F7_8 -162.6(11) . . . . ?
O1_8 C1_8 C4_8 F8_8 -165.5(11) . . . . ?
C3_8 C1_8 C4_8 F8_8 -42.9(10) . . . . ?
C2_8 C1_8 C4_8 F8_8 76.8(10) . . . . ?
O1_8 C1_8 C4_8 F9_8 74.6(11) . . . . ?
C3_8 C1_8 C4_8 F9_8 -162.8(7) . . . . ?
C2_8 C1_8 C4_8 F9_8 -43.0(10) . . . . ?
Al2 O1_7 C1_7 C2_7 -102.6(5) . . . . ?
Al2 O1_7 C1_7 C4_7 138.4(4) . . . . ?
Al2 O1_7 C1_7 C3_7 19.1(6) . . . . ?
O1_7 C1_7 C2_7 F3_7 46.2(4) . . . . ?
C4_7 C1_7 C2_7 F3_7 164.8(3) . . . . ?
C3_7 C1_7 C2_7 F3_7 -77.4(4) . . . . ?
O1_7 C1_7 C2_7 F2_7 165.9(3) . . . . ?
C4_7 C1_7 C2_7 F2_7 -75.5(4) . . . . ?
C3_7 C1_7 C2_7 F2_7 42.3(4) . . . . ?
O1_7 C1_7 C2_7 F1_7 -73.1(4) . . . . ?
C4_7 C1_7 C2_7 F1_7 45.5(5) . . . . ?
C3_7 C1_7 C2_7 F1_7 163.3(3) . . . . ?
O1_7 C1_7 C3_7 F4_7 39.1(5) . . . . ?
C2_7 C1_7 C3_7 F4_7 161.6(3) . . . . ?
C4_7 C1_7 C3_7 F4_7 -80.2(4) . . . . ?
O1_7 C1_7 C3_7 F6_7 159.7(3) . . . . ?
C2_7 C1_7 C3_7 F6_7 -77.8(4) . . . . ?
C4_7 C1_7 C3_7 F6_7 40.4(5) . . . . ?
O1_7 C1_7 C3_7 F5_7 -80.3(4) . . . . ?
C2_7 C1_7 C3_7 F5_7 42.1(4) . . . . ?
C4_7 C1_7 C3_7 F5_7 160.4(3) . . . . ?
O1_7 C1_7 C4_7 F7_7 -74.0(4) . . . . ?
C2_7 C1_7 C4_7 F7_7 166.0(3) . . . . ?
C3_7 C1_7 C4_7 F7_7 47.7(4) . . . . ?
O1_7 C1_7 C4_7 F9_7 45.7(4) . . . . ?
C2_7 C1_7 C4_7 F9_7 -74.3(4) . . . . ?
C3_7 C1_7 C4_7 F9_7 167.4(3) . . . . ?
O1_7 C1_7 C4_7 F8_7 165.8(4) . . . . ?
C2_7 C1_7 C4_7 F8_7 45.8(5) . . . . ?
C3_7 C1_7 C4_7 F8_7 -72.5(5) . . . . ?
Al2 O1_6 C1_6 C4_6 177.9(4) . . . . ?
Al2 O1_6 C1_6 C3_6 58.9(6) . . . . ?
Al2 O1_6 C1_6 C2_6 -62.5(6) . . . . ?
O1_6 C1_6 C2_6 F3_6 79.4(4) . . . . ?
C4_6 C1_6 C2_6 F3_6 -161.6(3) . . . . ?
C3_6 C1_6 C2_6 F3_6 -42.4(4) . . . . ?
O1_6 C1_6 C2_6 F1_6 -40.7(5) . . . . ?
C4_6 C1_6 C2_6 F1_6 78.2(4) . . . . ?
C3_6 C1_6 C2_6 F1_6 -162.5(3) . . . . ?
O1_6 C1_6 C2_6 F2_6 -160.6(3) . . . . ?
C4_6 C1_6 C2_6 F2_6 -41.7(5) . . . . ?
C3_6 C1_6 C2_6 F2_6 77.6(4) . . . . ?
O1_6 C1_6 C3_6 F4_6 72.5(4) . . . . ?
C4_6 C1_6 C3_6 F4_6 -45.9(4) . . . . ?
C2_6 C1_6 C3_6 F4_6 -165.2(3) . . . . ?
O1_6 C1_6 C3_6 F6_6 -165.6(3) . . . . ?
C4_6 C1_6 C3_6 F6_6 76.0(4) . . . . ?
C2_6 C1_6 C3_6 F6_6 -43.3(4) . . . . ?
O1_6 C1_6 C3_6 F5_6 -45.9(4) . . . . ?
C4_6 C1_6 C3_6 F5_6 -164.3(3) . . . . ?
C2_6 C1_6 C3_6 F5_6 76.4(4) . . . . ?
O1_6 C1_6 C4_6 F7_6 -40.7(5) . . . . ?
C3_6 C1_6 C4_6 F7_6 79.0(4) . . . . ?
C2_6 C1_6 C4_6 F7_6 -161.5(3) . . . . ?
O1_6 C1_6 C4_6 F9_6 78.9(4) . . . . ?
C3_6 C1_6 C4_6 F9_6 -161.4(3) . . . . ?
C2_6 C1_6 C4_6 F9_6 -41.9(4) . . . . ?
O1_6 C1_6 C4_6 F8_6 -161.4(3) . . . . ?
C3_6 C1_6 C4_6 F8_6 -41.7(5) . . . . ?
C2_6 C1_6 C4_6 F8_6 77.9(4) . . . . ?
Al2 O1_5 C1_5 C2_5 64.3(9) . . . . ?
Al2 O1_5 C1_5 C4_5 -58.5(9) . . . . ?
Al2 O1_5 C1_5 C3_5 -176.5(7) . . . . ?
O1_5 C1_5 C2_5 F3_5 39.5(6) . . . . ?
C4_5 C1_5 C2_5 F3_5 162.9(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 -78.0(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -81.0(5) . . . . ?
C4_5 C1_5 C2_5 F1_5 42.4(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 161.5(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 159.8(5) . . . . ?
C4_5 C1_5 C2_5 F2_5 -76.8(6) . . . . ?
C3_5 C1_5 C2_5 F2_5 42.3(6) . . . . ?
O1_5 C1_5 C3_5 F4_5 43.4(6) . . . . ?
C2_5 C1_5 C3_5 F4_5 163.1(4) . . . . ?
C4_5 C1_5 C3_5 F4_5 -76.6(5) . . . . ?
O1_5 C1_5 C3_5 F5_5 -77.0(6) . . . . ?
C2_5 C1_5 C3_5 F5_5 42.7(6) . . . . ?
C4_5 C1_5 C3_5 F5_5 163.0(5) . . . . ?
O1_5 C1_5 C3_5 F6_5 163.7(5) . . . . ?
C2_5 C1_5 C3_5 F6_5 -76.6(6) . . . . ?
C4_5 C1_5 C3_5 F6_5 43.7(7) . . . . ?
O1_5 C1_5 C4_5 F7_5 -72.2(5) . . . . ?
C2_5 C1_5 C4_5 F7_5 164.9(4) . . . . ?
C3_5 C1_5 C4_5 F7_5 44.9(5) . . . . ?
O1_5 C1_5 C4_5 F8_5 166.9(5) . . . . ?
C2_5 C1_5 C4_5 F8_5 44.0(6) . . . . ?
C3_5 C1_5 C4_5 F8_5 -76.0(6) . . . . ?
O1_5 C1_5 C4_5 F9_5 47.0(6) . . . . ?
C2_5 C1_5 C4_5 F9_5 -75.9(5) . . . . ?
C3_5 C1_5 C4_5 F9_5 164.1(4) . . . . ?
Al1 O1_4 C1_4 C3_4 86.2(6) . . . . ?
Al1 O1_4 C1_4 C4_4 -154.2(4) . . . . ?
Al1 O1_4 C1_4 C2_4 -34.8(7) . . . . ?
O1_4 C1_4 C2_4 F2_4 -163.7(3) . . . . ?
C3_4 C1_4 C2_4 F2_4 74.5(4) . . . . ?
C4_4 C1_4 C2_4 F2_4 -45.0(4) . . . . ?
O1_4 C1_4 C2_4 F1_4 -43.3(4) . . . . ?
C3_4 C1_4 C2_4 F1_4 -165.0(3) . . . . ?
C4_4 C1_4 C2_4 F1_4 75.5(4) . . . . ?
O1_4 C1_4 C2_4 F3_4 75.2(4) . . . . ?
C3_4 C1_4 C2_4 F3_4 -46.5(4) . . . . ?
C4_4 C1_4 C2_4 F3_4 -166.0(3) . . . . ?
O1_4 C1_4 C3_4 F4_4 72.4(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -46.1(4) . . . . ?
C2_4 C1_4 C3_4 F4_4 -165.1(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 -165.4(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 76.2(4) . . . . ?
C2_4 C1_4 C3_4 F6_4 -42.8(4) . . . . ?
O1_4 C1_4 C3_4 F5_4 -46.2(4) . . . . ?
C4_4 C1_4 C3_4 F5_4 -164.7(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 76.3(4) . . . . ?
O1_4 C1_4 C4_4 F7_4 -46.5(4) . . . . ?
C3_4 C1_4 C4_4 F7_4 73.4(4) . . . . ?
C2_4 C1_4 C4_4 F7_4 -167.6(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 74.5(4) . . . . ?
C3_4 C1_4 C4_4 F9_4 -165.6(3) . . . . ?
C2_4 C1_4 C4_4 F9_4 -46.6(4) . . . . ?
O1_4 C1_4 C4_4 F8_4 -164.8(3) . . . . ?
C3_4 C1_4 C4_4 F8_4 -44.9(4) . . . . ?
C2_4 C1_4 C4_4 F8_4 74.1(4) . . . . ?
Al1 O1_3 C1_3 C4_3 4.7(7) . . . . ?
Al1 O1_3 C1_3 C3_3 -116.4(5) . . . . ?
Al1 O1_3 C1_3 C2_3 125.3(5) . . . . ?
O1_3 C1_3 C2_3 F1_3 -74.2(4) . . . . ?
C4_3 C1_3 C2_3 F1_3 48.1(5) . . . . ?
C3_3 C1_3 C2_3 F1_3 167.0(4) . . . . ?
O1_3 C1_3 C2_3 F3_3 45.3(5) . . . . ?
C4_3 C1_3 C2_3 F3_3 167.6(3) . . . . ?
C3_3 C1_3 C2_3 F3_3 -73.5(4) . . . . ?
O1_3 C1_3 C2_3 F2_3 164.7(4) . . . . ?
C4_3 C1_3 C2_3 F2_3 -73.0(5) . . . . ?
C3_3 C1_3 C2_3 F2_3 45.9(5) . . . . ?
O1_3 C1_3 C3_3 F4_3 46.4(5) . . . . ?
C4_3 C1_3 C3_3 F4_3 -76.5(4) . . . . ?
C2_3 C1_3 C3_3 F4_3 164.5(4) . . . . ?
O1_3 C1_3 C3_3 F5_3 -73.7(4) . . . . ?
C4_3 C1_3 C3_3 F5_3 163.4(4) . . . . ?
C2_3 C1_3 C3_3 F5_3 44.3(5) . . . . ?
O1_3 C1_3 C3_3 F6_3 166.8(3) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.9(4) . . . . ?
C2_3 C1_3 C3_3 F6_3 -75.2(4) . . . . ?
O1_3 C1_3 C4_3 F8_3 160.1(4) . . . . ?
C3_3 C1_3 C4_3 F8_3 -78.6(4) . . . . ?
C2_3 C1_3 C4_3 F8_3 40.1(5) . . . . ?
O1_3 C1_3 C4_3 F9_3 40.0(5) . . . . ?
C3_3 C1_3 C4_3 F9_3 161.4(3) . . . . ?
C2_3 C1_3 C4_3 F9_3 -79.9(4) . . . . ?
O1_3 C1_3 C4_3 F7_3 -79.0(4) . . . . ?
C3_3 C1_3 C4_3 F7_3 42.3(4) . . . . ?
C2_3 C1_3 C4_3 F7_3 161.0(3) . . . . ?
Al1 O1_2 C1_2 C3_2 -169.4(4) . . . . ?
Al1 O1_2 C1_2 C2_2 70.7(6) . . . . ?
Al1 O1_2 C1_2 C4_2 -49.3(6) . . . . ?
O1_2 C1_2 C2_2 F3_2 39.8(5) . . . . ?
C3_2 C1_2 C2_2 F3_2 -79.7(4) . . . . ?
C4_2 C1_2 C2_2 F3_2 161.4(4) . . . . ?
O1_2 C1_2 C2_2 F2_2 161.5(4) . . . . ?
C3_2 C1_2 C2_2 F2_2 41.9(5) . . . . ?
C4_2 C1_2 C2_2 F2_2 -77.0(5) . . . . ?
O1_2 C1_2 C2_2 F1_2 -79.6(4) . . . . ?
C3_2 C1_2 C2_2 F1_2 160.8(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 41.9(4) . . . . ?
O1_2 C1_2 C3_2 F4_2 43.4(5) . . . . ?
C2_2 C1_2 C3_2 F4_2 163.8(4) . . . . ?
C4_2 C1_2 C3_2 F4_2 -77.8(4) . . . . ?
O1_2 C1_2 C3_2 F5_2 -77.5(4) . . . . ?
C2_2 C1_2 C3_2 F5_2 42.8(5) . . . . ?
C4_2 C1_2 C3_2 F5_2 161.3(4) . . . . ?
O1_2 C1_2 C3_2 F6_2 163.7(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -76.0(4) . . . . ?
C4_2 C1_2 C3_2 F6_2 42.5(5) . . . . ?
O1_2 C1_2 C4_2 F8_2 164.5(3) . . . . ?
C3_2 C1_2 C4_2 F8_2 -75.6(4) . . . . ?
C2_2 C1_2 C4_2 F8_2 43.4(5) . . . . ?
O1_2 C1_2 C4_2 F9_2 43.1(5) . . . . ?
C3_2 C1_2 C4_2 F9_2 163.1(3) . . . . ?
C2_2 C1_2 C4_2 F9_2 -77.9(4) . . . . ?
O1_2 C1_2 C4_2 F7_2 -74.7(4) . . . . ?
C3_2 C1_2 C4_2 F7_2 45.2(4) . . . . ?
C2_2 C1_2 C4_2 F7_2 164.2(3) . . . . ?
Al1 O1_1 C1_1 C4_1 -168.7(4) . . . . ?
Al1 O1_1 C1_1 C3_1 70.2(6) . . . . ?
Al1 O1_1 C1_1 C2_1 -49.7(6) . . . . ?
O1_1 C1_1 C2_1 F1_1 -37.4(5) . . . . ?
C4_1 C1_1 C2_1 F1_1 81.5(4) . . . . ?
C3_1 C1_1 C2_1 F1_1 -159.0(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 82.4(4) . . . . ?
C4_1 C1_1 C2_1 F3_1 -158.7(3) . . . . ?
C3_1 C1_1 C2_1 F3_1 -39.2(4) . . . . ?
O1_1 C1_1 C2_1 F2_1 -157.2(3) . . . . ?
C4_1 C1_1 C2_1 F2_1 -38.3(5) . . . . ?
C3_1 C1_1 C2_1 F2_1 81.2(4) . . . . ?
O1_1 C1_1 C3_1 F5_1 -45.8(5) . . . . ?
C4_1 C1_1 C3_1 F5_1 -165.7(4) . . . . ?
C2_1 C1_1 C3_1 F5_1 75.7(4) . . . . ?
O1_1 C1_1 C3_1 F6_1 -167.7(4) . . . . ?
C4_1 C1_1 C3_1 F6_1 72.4(5) . . . . ?
C2_1 C1_1 C3_1 F6_1 -46.1(5) . . . . ?
O1_1 C1_1 C3_1 F4_1 72.6(4) . . . . ?
C4_1 C1_1 C3_1 F4_1 -47.3(4) . . . . ?
C2_1 C1_1 C3_1 F4_1 -165.8(3) . . . . ?
O1_1 C1_1 C4_1 F7_1 -45.4(4) . . . . ?
C3_1 C1_1 C4_1 F7_1 76.1(4) . . . . ?
C2_1 C1_1 C4_1 F7_1 -165.8(3) . . . . ?
O1_1 C1_1 C4_1 F9_1 74.5(4) . . . . ?
C3_1 C1_1 C4_1 F9_1 -164.0(3) . . . . ?
C2_1 C1_1 C4_1 F9_1 -45.9(4) . . . . ?
O1_1 C1_1 C4_1 F8_1 -165.6(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 -44.2(5) . . . . ?
C2_1 C1_1 C4_1 F8_1 73.9(4) . . . . ?
C1_2 O1_2 Al1 O1_4 76.9(5) . . . . ?
C1_2 O1_2 Al1 O1_1 -163.4(4) . . . . ?
C1_2 O1_2 Al1 O1_3 -42.7(5) . . . . ?
C1_4 O1_4 Al1 O1_2 80.0(5) . . . . ?
C1_4 O1_4 Al1 O1_1 -38.2(6) . . . . ?
C1_4 O1_4 Al1 O1_3 -160.1(5) . . . . ?
C1_1 O1_1 Al1 O1_2 23.4(5) . . . . ?
C1_1 O1_1 Al1 O1_4 146.0(5) . . . . ?
C1_1 O1_1 Al1 O1_3 -94.8(5) . . . . ?
C1_3 O1_3 Al1 O1_2 159.8(5) . . . . ?
C1_3 O1_3 Al1 O1_4 36.6(5) . . . . ?
C1_3 O1_3 Al1 O1_1 -83.2(5) . . . . ?
C1_6 O1_6 Al2 O1_5 43.0(5) . . . . ?
C1_6 O1_6 Al2 O1_9 162.3(10) . . . . ?
C1_6 O1_6 Al2 O1_10 41(2) . . . . ?
C1_6 O1_6 Al2 O1_8 165.2(9) . . . . ?
C1_6 O1_6 Al2 O1_7 -76.5(5) . . . . ?
C1_5 O1_5 Al2 O1_6 -154.6(7) . . . . ?
C1_5 O1_5 Al2 O1_8 89.0(10) . . . . ?
C1_5 O1_5 Al2 O1_7 -30.8(8) . . . . ?
C1_9 O1_9 Al2 O1_6 -32(3) . . . . ?
C1_9 O1_9 Al2 O1_10 91(4) . . . . ?
C1_9 O1_9 Al2 O1_7 -157(3) . . . . ?
C1_10 O1_10 Al2 O1_6 -158(8) . . . . ?
C1_10 O1_10 Al2 O1_9 81(9) . . . . ?
C1_10 O1_10 Al2 O1_7 -34(9) . . . . ?
C1_8 O1_8 Al2 O1_6 -40(3) . . . . ?
C1_8 O1_8 Al2 O1_5 77(3) . . . . ?
C1_8 O1_8 Al2 O1_7 -163(3) . . . . ?
C1_7 O1_7 Al2 O1_6 -84.5(5) . . . . ?
C1_7 O1_7 Al2 O1_5 156.4(5) . . . . ?
C1_7 O1_7 Al2 O1_9 38.0(10) . . . . ?
C1_7 O1_7 Al2 O1_10 154(2) . . . . ?
C1_7 O1_7 Al2 O1_8 32.3(9) . . . . ?
N1_11 C4_11 C3_11 N2_11 -0.8(7) . . . . ?
C1_11 C2_11 N2_11 C3_11 -0.8(7) . . . . ?
C4_11 C3_11 N2_11 C2_11 1.3(7) . . . . ?
N2_11 C2_11 C1_11 N1_11 -0.3(7) . . . . ?
C3_11 C4_11 N1_11 C1_11 -0.3(6) . . . . ?
C3_11 C4_11 N1_11 Sn1 178.8(3) . . . . ?
C2_11 C1_11 N1_11 C4_11 0.9(6) . . . . ?
C2_11 C1_11 N1_11 Sn1 -178.4(3) . . . . ?
C4_12 N1_12 C1_12 C2_12 -1.6(6) . . . . ?
Sn1 N1_12 C1_12 C2_12 162.0(3) . . . . ?
C3_12 N2_12 C2_12 C1_12 0.8(6) . . . . ?
N1_12 C1_12 C2_12 N2_12 0.8(7) . . . . ?
C2_12 N2_12 C3_12 C4_12 -1.6(7) . . . . ?
C1_12 N1_12 C4_12 C3_12 0.8(6) . . . . ?
Sn1 N1_12 C4_12 C3_12 -163.8(3) . . . . ?
N2_12 C3_12 C4_12 N1_12 0.8(7) . . . . ?

_refine_diff_density_max         1.130
_refine_diff_density_min         -1.393
_refine_diff_density_rms         0.104


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

data_twin5
_database_code_depnum_ccdc_archive 'CCDC 1527811'
_audit_update_record             
;
2017-01-16 deposited with the CCDC.
2017-09-11 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         '4(C16 Al F36 O4), 2(C12 H18 N6 Sn)'
_chemical_formula_sum            'C88 H36 Al4 F144 N12 O16 Sn2'
_chemical_formula_weight         4598.59

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   26.8462(12)
_cell_length_b                   22.2195(10)
_cell_length_c                   27.4111(13)
_cell_angle_alpha                90
_cell_angle_beta                 112.914(2)
_cell_angle_gamma                90
_cell_volume                     15060.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9247
_cell_measurement_theta_min      2.4645
_cell_measurement_theta_max      26.271

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_F_000             8896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.593
_shelx_estimated_absorpt_T_min   0.881
_shelx_estimated_absorpt_T_max   0.943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.530210
_exptl_absorpt_correction_T_max  0.745372
_exptl_absorpt_process_details   
'L. Krause, R. Herbst-Irmer, G. M. Sheldrick, D. Stalke, J. Appl. Cryst. 2015, 48, 3--10.'
_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            34439
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         0.823
_diffrn_reflns_theta_max         26.608
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             34439
_reflns_number_gt                27610
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 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)+(0.0474P)²+68.9558P] 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         34439
_refine_ls_number_parameters     2666
_refine_ls_number_restraints     52215
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0667
_refine_ls_wR_factor_ref         0.1628
_refine_ls_wR_factor_gt          0.1456
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      9.761
_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
Sn1 Sn 0.13908(3) 0.22732(3) 0.66198(2) 0.04304(15) Uani 1 1 d . . . . .
Sn2 Sn 0.38782(2) 0.78640(2) 0.84743(2) 0.03096(11) Uani 1 1 d . . . . .
N1_1 N 0.0470(3) 0.2526(3) 0.6258(3) 0.0432(17) Uani 1 1 d . . . . .
C1_1 C 0.0036(4) 0.2654(3) 0.6138(3) 0.0371(18) Uani 1 1 d . . . . .
C2_1 C -0.0529(3) 0.2821(4) 0.5988(3) 0.047(2) Uani 1 1 d . . . . .
H2A_1 H -0.0550 0.3224 0.6124 0.070 Uiso 1 1 calc R U . . .
H2B_1 H -0.0705 0.2530 0.6139 0.070 Uiso 1 1 calc R U . . .
H2C_1 H -0.0712 0.2820 0.5601 0.070 Uiso 1 1 calc R U . . .
N1_2 N 0.1126(3) 0.2024(3) 0.5733(3) 0.0447(17) Uani 1 1 d . . . . .
C1_2 C 0.1026(4) 0.1858(3) 0.5303(3) 0.0394(19) Uani 1 1 d . . . . .
C2_2 C 0.0903(4) 0.1659(4) 0.4768(3) 0.049(2) Uani 1 1 d . . . . .
H2A_2 H 0.0593 0.1383 0.4659 0.059 Uiso 1 1 calc R U . . .
H2B_2 H 0.1217 0.1450 0.4751 0.059 Uiso 1 1 calc R U . . .
H2C_2 H 0.0814 0.2007 0.4530 0.059 Uiso 1 1 calc R U . . .
N1_3 N 0.1406(3) 0.3239(4) 0.6214(3) 0.0467(17) Uani 1 1 d . . . . .
C2_3 C 0.1472(4) 0.4353(4) 0.5986(4) 0.056(3) Uani 1 1 d . . . . .
H2A_3 H 0.1313 0.4607 0.6180 0.085 Uiso 1 1 calc R U . . .
H2B_3 H 0.1277 0.4415 0.5605 0.085 Uiso 1 1 calc R U . . .
H2C_3 H 0.1853 0.4461 0.6088 0.085 Uiso 1 1 calc R U . . .
C1_3 C 0.1432(3) 0.3726(4) 0.6114(3) 0.0402(18) Uani 1 1 d . . . . .
N1_4 N 0.0999(4) 0.1217(4) 0.6545(3) 0.064(2) Uani 1 1 d . . . . .
C2_4 C 0.0870(4) 0.0116(4) 0.6776(4) 0.050(2) Uani 1 1 d . . . . .
H2A_4 H 0.1211 -0.0104 0.6871 0.076 Uiso 1 1 calc R U . . .
H2B_4 H 0.0593 -0.0075 0.6466 0.076 Uiso 1 1 calc R U . . .
H2C_4 H 0.0755 0.0107 0.7074 0.076 Uiso 1 1 calc R U . . .
C1_4 C 0.0945(4) 0.0734(5) 0.6651(3) 0.047(2) Uani 1 1 d . . . . .
N1_5 N 0.2276(4) 0.1737(5) 0.6528(3) 0.070(3) Uani 1 1 d . . . . .
C2_5 C 0.3293(4) 0.1491(5) 0.6922(4) 0.058(3) Uani 1 1 d . . . . .
H2A_5 H 0.3466 0.1703 0.7260 0.070 Uiso 1 1 calc R U . . .
H2B_5 H 0.3455 0.1623 0.6676 0.070 Uiso 1 1 calc R U . . .
H2C_5 H 0.3345 0.1057 0.6981 0.070 Uiso 1 1 calc R U . . .
C1_5 C 0.2725(5) 0.1624(4) 0.6702(4) 0.051(2) Uani 1 1 d . . . . .
N1_6 N 0.1319(3) 0.3099(3) 0.7355(3) 0.0466(17) Uani 1 1 d . . . . .
C2_6 C 0.1629(4) 0.3592(4) 0.8279(3) 0.052(2) Uani 1 1 d . . . . .
H2A_6 H 0.1929 0.3363 0.8533 0.078 Uiso 1 1 calc R U . . .
H2B_6 H 0.1325 0.3596 0.8393 0.078 Uiso 1 1 calc R U . . .
H2C_6 H 0.1746 0.4006 0.8260 0.078 Uiso 1 1 calc R U . . .
C1_6 C 0.1461(3) 0.3316(4) 0.7764(3) 0.0360(17) Uani 1 1 d . . . . .
N1_7 N 0.3588(3) 0.6972(3) 0.8719(3) 0.0377(14) Uani 1 1 d . . . . .
C1_7 C 0.3510(3) 0.6489(3) 0.8788(3) 0.0278(14) Uani 1 1 d . . . . .
C2_7 C 0.3423(3) 0.5859(3) 0.8879(3) 0.0348(16) Uani 1 1 d . . . . .
H2A_7 H 0.3103 0.5823 0.8966 0.052 Uiso 1 1 calc R U . . .
H2B_7 H 0.3740 0.5703 0.9173 0.052 Uiso 1 1 calc R U . . .
H2C_7 H 0.3366 0.5626 0.8558 0.052 Uiso 1 1 calc R U . . .
N1_8 N 0.2977(3) 0.8096(3) 0.8365(3) 0.0390(15) Uani 1 1 d . . . . .
C1_8 C 0.2548(4) 0.8250(4) 0.8281(3) 0.044(2) Uani 1 1 d . . . . .
C2_8 C 0.1993(4) 0.8438(5) 0.8171(5) 0.061(3) Uani 1 1 d . . . . .
H2A_8 H 0.1975 0.8878 0.8174 0.092 Uiso 1 1 calc R U . . .
H2B_8 H 0.1878 0.8274 0.8443 0.092 Uiso 1 1 calc R U . . .
H2C_8 H 0.1753 0.8287 0.7823 0.092 Uiso 1 1 calc R U . . .
N1_9 N 0.3379(3) 0.7212(3) 0.7593(3) 0.0458(17) Uani 1 1 d . . . . .
C2_9 C 0.3249(4) 0.6672(4) 0.6714(4) 0.049(2) Uani 1 1 d . . . . .
H2A_9 H 0.3558 0.6760 0.6619 0.073 Uiso 1 1 calc R U . . .
H2B_9 H 0.2916 0.6817 0.6433 0.073 Uiso 1 1 calc R U . . .
H2C_9 H 0.3224 0.6237 0.6757 0.073 Uiso 1 1 calc R U . . .
C1_9 C 0.3323(3) 0.6972(3) 0.7204(3) 0.0369(18) Uani 1 1 d . . . . .
N1_10 N 0.4009(3) 0.8057(3) 0.9367(3) 0.0358(14) Uani 1 1 d . . . . .
C2_10 C 0.4287(3) 0.8350(4) 1.0350(3) 0.0394(19) Uani 1 1 d . . . . .
H2A_10 H 0.3971 0.8497 1.0408 0.047 Uiso 1 1 calc R U . . .
H2B_10 H 0.4562 0.8668 1.0441 0.047 Uiso 1 1 calc R U . . .
H2C_10 H 0.4436 0.7997 1.0573 0.047 Uiso 1 1 calc R U . . .
C1_10 C 0.4130(3) 0.8187(3) 0.9799(3) 0.0317(16) Uani 1 1 d . . . . .
N1_11 N 0.3853(3) 0.9110(3) 0.8543(3) 0.0504(18) Uani 1 1 d . . . . .
C2_11 C 0.4277(4) 1.0099(4) 0.8408(4) 0.061(3) Uani 1 1 d . . . . .
H2A_11 H 0.4236 1.0129 0.8038 0.091 Uiso 1 1 calc R U . . .
H2B_11 H 0.4663 1.0099 0.8638 0.091 Uiso 1 1 calc R U . . .
H2C_11 H 0.4100 1.0442 0.8497 0.091 Uiso 1 1 calc R U . . .
C1_11 C 0.4032(3) 0.9543(4) 0.8485(3) 0.0406(18) Uani 1 1 d . . . . .
N1_12 N 0.4758(3) 0.7197(3) 0.8984(3) 0.0387(15) Uani 1 1 d . . . . .
C2_12 C 0.5667(4) 0.6650(4) 0.9155(4) 0.048(2) Uani 1 1 d . . . . .
H2A_12 H 0.5739 0.6649 0.8831 0.072 Uiso 1 1 calc R U . . .
H2B_12 H 0.5645 0.6234 0.9265 0.072 Uiso 1 1 calc R U . . .
H2C_12 H 0.5959 0.6861 0.9437 0.072 Uiso 1 1 calc R U . . .
C1_12 C 0.5155(4) 0.6956(3) 0.9054(3) 0.0350(17) Uani 1 1 d . . . . .
Al1 Al 0.29447(7) 0.39943(8) 0.46084(7) 0.0201(4) Uani 1 1 d D . . . .
Al2 Al 0.05239(8) 0.61140(9) 0.67257(7) 0.0230(4) Uani 1 1 d D . . . .
Al3 Al 0.21370(8) 0.91638(8) 0.53517(7) 0.0210(4) Uani 1 1 d D . . . .
Al4 Al 0.56162(8) 0.89235(8) 0.69272(7) 0.0198(4) Uani 1 1 d D . . . .
O1_13 O 0.28679(19) 0.4017(2) 0.39536(17) 0.0267(10) Uani 1 1 d D U . . .
C1_13 C 0.2550(3) 0.3884(3) 0.3450(3) 0.0291(14) Uani 1 1 d D U . . .
C2_13 C 0.2476(3) 0.3197(3) 0.3365(3) 0.0422(17) Uani 1 1 d D U . . .
F1_13 F 0.2322(2) 0.3043(2) 0.28469(17) 0.0529(13) Uani 1 1 d D U . . .
F2_13 F 0.2094(2) 0.2986(2) 0.35244(19) 0.0529(13) Uani 1 1 d D U . . .
F3_13 F 0.2938(2) 0.2907(2) 0.36261(18) 0.0477(11) Uani 1 1 d D U . . .
C3_13 C 0.1985(3) 0.4183(3) 0.3288(3) 0.0434(17) Uani 1 1 d D U . . .
F4_13 F 0.1612(2) 0.3948(3) 0.28496(19) 0.0589(14) Uani 1 1 d D U . . .
F5_13 F 0.2019(2) 0.4774(2) 0.3205(2) 0.0563(13) Uani 1 1 d D U . . .
F6_13 F 0.18031(18) 0.4102(3) 0.36714(18) 0.0516(13) Uani 1 1 d D U . . .
C4_13 C 0.2824(3) 0.4131(3) 0.3086(3) 0.0425(17) Uani 1 1 d D U . . .
F7_13 F 0.2480(2) 0.4168(2) 0.25786(17) 0.0527(13) Uani 1 1 d D U . . .
F8_13 F 0.3248(2) 0.3780(3) 0.3121(2) 0.0551(13) Uani 1 1 d D U . . .
F9_13 F 0.3007(2) 0.4692(2) 0.32332(18) 0.0463(12) Uani 1 1 d D U . . .
O1_14 O 0.26707(19) 0.33228(18) 0.47063(19) 0.0256(10) Uani 1 1 d D . . . .
C1_14 C 0.2441(3) 0.3029(3) 0.4990(3) 0.0236(14) Uani 1 1 d . . . . .
C2_14 C 0.2279(4) 0.2382(3) 0.4747(4) 0.047(2) Uani 1 1 d . . . . .
F1_14 F 0.2194(2) 0.20117(18) 0.5090(2) 0.0485(12) Uani 1 1 d . . . . .
F2_14 F 0.2657(3) 0.21544(19) 0.4615(3) 0.0621(16) Uani 1 1 d . . . . .
F3_14 F 0.1823(2) 0.2418(2) 0.4304(2) 0.0543(13) Uani 1 1 d . . . . .
C3_14 C 0.1930(3) 0.3342(3) 0.4979(3) 0.0355(17) Uani 1 1 d . . . . .
F4_14 F 0.16049(18) 0.29798(19) 0.5117(2) 0.0406(11) Uani 1 1 d . . . . .
F5_14 F 0.16461(19) 0.3574(2) 0.45180(19) 0.0458(11) Uani 1 1 d . . . . .
F6_14 F 0.2069(2) 0.38053(19) 0.5329(2) 0.0514(13) Uani 1 1 d . . . . .
C4_14 C 0.2849(3) 0.2950(4) 0.5577(3) 0.043(2) Uani 1 1 d . . . . .
F7_14 F 0.2599(2) 0.2802(3) 0.58958(19) 0.0632(16) Uani 1 1 d . . . . .
F8_14 F 0.31157(19) 0.3462(2) 0.57515(18) 0.0478(12) Uani 1 1 d . . . . .
F9_14 F 0.3217(2) 0.2526(3) 0.5603(3) 0.0708(19) Uani 1 1 d . . . . .
O1_15 O 0.36254(17) 0.4071(2) 0.49848(17) 0.0248(10) Uani 1 1 d D . . . .
C1_15 C 0.4137(3) 0.3895(3) 0.5101(3) 0.0251(14) Uani 1 1 d . . . . .
C2_15 C 0.4378(3) 0.3674(3) 0.5690(3) 0.0300(15) Uani 1 1 d . . . . .
F1_15 F 0.49198(17) 0.3649(2) 0.58852(18) 0.0429(11) Uani 1 1 d . . . . .
F2_15 F 0.41975(17) 0.31290(18) 0.57250(18) 0.0366(10) Uani 1 1 d . . . . .
F3_15 F 0.42467(19) 0.40435(19) 0.59937(17) 0.0394(10) Uani 1 1 d . . . . .
C3_15 C 0.4171(3) 0.3363(3) 0.4739(3) 0.0320(16) Uani 1 1 d . . . . .
F4_15 F 0.46426(17) 0.30792(19) 0.49412(18) 0.0395(10) Uani 1 1 d . . . . .
F5_15 F 0.4115(2) 0.3579(2) 0.42618(18) 0.0467(12) Uani 1 1 d . . . . .
F6_15 F 0.37796(17) 0.29733(19) 0.46709(18) 0.0380(10) Uani 1 1 d . . . . .
C4_15 C 0.4467(3) 0.4439(3) 0.5036(3) 0.0377(18) Uani 1 1 d . . . . .
F7_15 F 0.4950(2) 0.4267(2) 0.5038(2) 0.0547(14) Uani 1 1 d . . . . .
F8_15 F 0.4563(2) 0.48306(19) 0.5432(2) 0.0461(12) Uani 1 1 d . . . . .
F9_15 F 0.4200(2) 0.4724(2) 0.4586(2) 0.0497(12) Uani 1 1 d . . . . .
O1_16 O 0.2618(5) 0.4576(4) 0.4775(6) 0.0257(13) Uani 0.766(5) 1 d D . P A 1
C1_16 C 0.2635(5) 0.5165(6) 0.4913(5) 0.0381(16) Uani 0.766(5) 1 d . . P A 1
C2_16 C 0.2044(6) 0.5359(5) 0.4793(7) 0.062(3) Uani 0.766(5) 1 d . . P A 1
F1_16 F 0.2028(4) 0.5902(3) 0.5014(4) 0.064(3) Uani 0.766(5) 1 d . . P A 1
F2_16 F 0.1737(3) 0.5008(3) 0.4814(3) 0.0538(18) Uani 0.766(5) 1 d . . P A 1
F3_16 F 0.1863(3) 0.5491(4) 0.4180(4) 0.080(2) Uani 0.766(5) 1 d . . P A 1
C3_16 C 0.3009(7) 0.5247(6) 0.5508(6) 0.065(3) Uani 0.766(5) 1 d . . P A 1
F4_16 F 0.3087(4) 0.5807(4) 0.5682(5) 0.074(3) Uani 0.766(5) 1 d . . P A 1
F5_16 F 0.3357(4) 0.4902(4) 0.5741(3) 0.073(2) Uani 0.766(5) 1 d . . P A 1
F6_16 F 0.2543(5) 0.5041(4) 0.5739(4) 0.081(2) Uani 0.766(5) 1 d . . P A 1
C4_16 C 0.2867(6) 0.5568(4) 0.4590(6) 0.054(2) Uani 0.766(5) 1 d . . P A 1
F7_16 F 0.2830(4) 0.6142(3) 0.4631(3) 0.058(2) Uani 0.766(5) 1 d . . P A 1
F8_16 F 0.2850(4) 0.5377(3) 0.4173(4) 0.065(2) Uani 0.766(5) 1 d . . P A 1
F9_16 F 0.3494(3) 0.5494(3) 0.4929(4) 0.074(2) Uani 0.766(5) 1 d . . P A 1
O1_17 O 0.2660(17) 0.4598(13) 0.481(2) 0.0257(13) Uani 0.234(5) 1 d D U P A 2
C1_17 C 0.2646(9) 0.5166(15) 0.4934(10) 0.0381(16) Uani 0.234(5) 1 d D U P A 2
C2_17 C 0.2115(8) 0.5471(10) 0.4559(9) 0.062(3) Uani 0.234(5) 1 d D U P A 2
F1_17 F 0.1972(15) 0.5941(11) 0.4775(14) 0.064(3) Uani 0.234(5) 1 d D U P A 2
F2_17 F 0.1697(8) 0.5095(8) 0.4404(11) 0.0538(18) Uani 0.234(5) 1 d D U P A 2
F3_17 F 0.2305(10) 0.5627(12) 0.4184(10) 0.080(2) Uani 0.234(5) 1 d D U P A 2
C3_17 C 0.2681(10) 0.5235(10) 0.5510(9) 0.065(3) Uani 0.234(5) 1 d D U P A 2
F4_17 F 0.2884(14) 0.5781(12) 0.5666(19) 0.074(3) Uani 0.234(5) 1 d D U P A 2
F5_17 F 0.3019(11) 0.4816(11) 0.5805(10) 0.073(2) Uani 0.234(5) 1 d D U P A 2
F6_17 F 0.2159(10) 0.5144(12) 0.5447(11) 0.081(2) Uani 0.234(5) 1 d D U P A 2
C4_17 C 0.3138(9) 0.5515(10) 0.4907(9) 0.054(2) Uani 0.234(5) 1 d D U P A 2
F7_17 F 0.2981(16) 0.6090(11) 0.4836(13) 0.058(2) Uani 0.234(5) 1 d D U P A 2
F8_17 F 0.3223(13) 0.5334(10) 0.4481(10) 0.065(2) Uani 0.234(5) 1 d D U P A 2
F9_17 F 0.3546(9) 0.5350(10) 0.5377(10) 0.074(2) Uani 0.234(5) 1 d D U P A 2
O1_18 O 0.0192(4) 0.5494(3) 0.6834(3) 0.0276(13) Uani 0.853(6) 1 d D U P B 1
C1_18 C -0.0008(3) 0.4925(4) 0.6699(3) 0.0351(14) Uani 0.853(6) 1 d D U P B 1
C2_18 C -0.0348(4) 0.4882(4) 0.6097(3) 0.0493(18) Uani 0.853(6) 1 d D U P B 1
F1_18 F -0.0665(3) 0.4393(3) 0.5973(3) 0.068(2) Uani 0.853(6) 1 d D U P B 1
F2_18 F -0.0031(3) 0.4851(3) 0.5834(3) 0.0667(19) Uani 0.853(6) 1 d D U P B 1
F3_18 F -0.0651(3) 0.5362(3) 0.5928(3) 0.064(2) Uani 0.853(6) 1 d D U P B 1
C3_18 C 0.0461(3) 0.4467(4) 0.6852(4) 0.0447(18) Uani 0.853(6) 1 d D U P B 1
F4_18 F 0.0305(3) 0.3930(3) 0.6623(3) 0.0556(19) Uani 0.853(6) 1 d D U P B 1
F5_18 F 0.0679(3) 0.4371(3) 0.7376(3) 0.0576(17) Uani 0.853(6) 1 d D U P B 1
F6_18 F 0.0855(3) 0.4670(6) 0.6712(4) 0.0582(16) Uani 0.853(6) 1 d D U P B 1
C4_18 C -0.0369(4) 0.4769(4) 0.7002(4) 0.0488(19) Uani 0.853(6) 1 d D U P B 1
F7_18 F -0.0486(3) 0.4179(3) 0.6980(4) 0.074(2) Uani 0.853(6) 1 d D U P B 1
F8_18 F -0.0837(4) 0.5073(5) 0.6802(4) 0.071(2) Uani 0.853(6) 1 d D U P B 1
F9_18 F -0.0129(3) 0.4915(3) 0.7507(3) 0.0595(17) Uani 0.853(6) 1 d D U P B 1
O1_34 O 0.0217(19) 0.5525(13) 0.6908(17) 0.0276(13) Uani 0.147(6) 1 d D U P B 2
C1_34 C 0.0043(11) 0.4960(16) 0.6798(10) 0.0351(14) Uani 0.147(6) 1 d D U P B 2
C2_34 C -0.0576(10) 0.4970(12) 0.6487(12) 0.0447(18) Uani 0.147(6) 1 d D U P B
2
F1_34 F -0.0769(16) 0.4427(12) 0.6301(17) 0.068(2) Uani 0.147(6) 1 d D U P B 2
F2_34 F -0.0796(18) 0.5371(16) 0.6096(16) 0.064(2) Uani 0.147(6) 1 d D U P B 2
F3_34 F -0.076(3) 0.510(3) 0.6870(19) 0.071(2) Uani 0.147(6) 1 d D U P B 2
C3_34 C 0.0332(13) 0.4628(14) 0.6489(12) 0.0493(18) Uani 0.147(6) 1 d D U P B 2
F4_34 F 0.023(2) 0.4035(14) 0.6429(18) 0.0556(19) Uani 0.147(6) 1 d D U P B 2
F5_34 F 0.0865(15) 0.468(3) 0.678(2) 0.0582(16) Uani 0.147(6) 1 d D U P B 2
F6_34 F 0.0242(19) 0.4811(18) 0.5995(13) 0.0667(19) Uani 0.147(6) 1 d D U P B 2
C4_34 C 0.0167(11) 0.4652(11) 0.7343(10) 0.0488(19) Uani 0.147(6) 1 d D U P B 2
F8_34 F 0.0086(17) 0.5062(15) 0.7661(16) 0.0595(17) Uani 0.147(6) 1 d D U P B 2
F7_34 F -0.0152(16) 0.4178(13) 0.7289(19) 0.074(2) Uani 0.147(6) 1 d D U P B 2
F9_34 F 0.0687(12) 0.4496(18) 0.7564(17) 0.0576(17) Uani 0.147(6) 1 d D U P B 2
O1_19 O 0.0327(12) 0.6181(15) 0.6051(5) 0.0293(14) Uani 0.509(4) 1 d D U P B 1
C1_19 C 0.0423(6) 0.6413(8) 0.5637(8) 0.0359(14) Uani 0.509(4) 1 d D U P B 1
C2_19 C 0.0796(6) 0.5984(6) 0.5485(5) 0.050(2) Uani 0.509(4) 1 d D U P B 1
F1_19 F 0.0978(10) 0.6277(10) 0.5159(6) 0.066(3) Uani 0.509(4) 1 d D U P B 1
F2_19 F 0.0509(5) 0.5495(5) 0.5247(4) 0.0644(19) Uani 0.509(4) 1 d D U P B 1
F3_19 F 0.1210(4) 0.5801(5) 0.5907(4) 0.0561(18) Uani 0.509(4) 1 d D U P B 1
C3_19 C -0.0122(6) 0.6479(7) 0.5163(6) 0.058(2) Uani 0.509(4) 1 d D U P B 1
F4_19 F -0.0094(11) 0.6495(8) 0.4687(7) 0.072(3) Uani 0.509(4) 1 d D U P B 1
F5_19 F -0.0400(5) 0.6949(6) 0.5235(4) 0.069(2) Uani 0.509(4) 1 d D U P B 1
F6_19 F -0.0437(5) 0.5999(6) 0.5130(4) 0.073(2) Uani 0.509(4) 1 d D U P B 1
C4_19 C 0.0699(6) 0.7035(7) 0.5773(6) 0.059(2) Uani 0.509(4) 1 d D U P B 1
F7_19 F 0.0638(9) 0.7307(14) 0.5316(7) 0.071(3) Uani 0.509(4) 1 d D U P B 1
F8_19 F 0.1230(5) 0.6963(5) 0.6077(5) 0.069(2) Uani 0.509(4) 1 d D U P B 1
F9_19 F 0.0482(6) 0.7372(5) 0.6035(5) 0.068(2) Uani 0.509(4) 1 d D U P B 1
O1_20 O 0.0309(12) 0.6208(15) 0.6051(5) 0.0293(14) Uani 0.491(4) 1 d D U P B 2
C1_20 C 0.0402(7) 0.6441(8) 0.5630(8) 0.0359(14) Uani 0.491(4) 1 d D U P B 2
C2_20 C 0.0879(6) 0.6115(6) 0.5565(6) 0.050(2) Uani 0.491(4) 1 d D U P B 2
F1_20 F 0.0864(10) 0.6148(11) 0.5069(6) 0.066(3) Uani 0.491(4) 1 d D U P B 2
F2_20 F 0.0865(6) 0.5528(5) 0.5655(5) 0.0644(19) Uani 0.491(4) 1 d D U P B 2
F3_20 F 0.1349(4) 0.6323(5) 0.5902(4) 0.0561(18) Uani 0.491(4) 1 d D U P B 2
C3_20 C -0.0118(6) 0.6348(7) 0.5131(6) 0.058(2) Uani 0.491(4) 1 d D U P B 2
F4_20 F -0.0113(11) 0.6701(8) 0.4741(8) 0.072(3) Uani 0.491(4) 1 d D U P B 2
F5_20 F -0.0557(5) 0.6486(7) 0.5231(5) 0.069(2) Uani 0.491(4) 1 d D U P B 2
F6_20 F -0.0169(5) 0.5768(6) 0.4991(4) 0.073(2) Uani 0.491(4) 1 d D U P B 2
C4_20 C 0.0541(6) 0.7117(7) 0.5721(6) 0.059(2) Uani 0.491(4) 1 d D U P B 2
F7_20 F 0.0768(9) 0.7354(15) 0.5407(8) 0.071(3) Uani 0.491(4) 1 d D U P B 2
F8_20 F 0.0887(5) 0.7219(5) 0.6221(4) 0.069(2) Uani 0.491(4) 1 d D U P B 2
F9_20 F 0.0099(5) 0.7446(5) 0.5644(5) 0.068(2) Uani 0.491(4) 1 d D U P B 2
O1_21 O 0.12110(17) 0.6034(2) 0.69835(17) 0.0284(10) Uani 1 1 d D U . . .
C1_21 C 0.1681(3) 0.6073(3) 0.7411(3) 0.0331(14) Uani 1 1 d D U . . .
C2_21 C 0.1770(3) 0.6713(3) 0.7660(3) 0.0456(18) Uani 1 1 d D U . . .
F1_21 F 0.2287(2) 0.6815(3) 0.7967(2) 0.0652(16) Uani 1 1 d D U . . .
F2_21 F 0.1482(2) 0.6795(3) 0.7955(2) 0.0577(14) Uani 1 1 d D U . . .
F3_21 F 0.1609(2) 0.7131(2) 0.7284(2) 0.0618(14) Uani 1 1 d D U . . .
C3_21 C 0.1697(3) 0.5614(3) 0.7843(3) 0.0436(17) Uani 1 1 d D U . . .
F4_21 F 0.2087(2) 0.5721(3) 0.83067(19) 0.0631(15) Uani 1 1 d D U . . .
F5_21 F 0.1761(2) 0.5055(2) 0.7701(2) 0.0564(13) Uani 1 1 d D U . . .
F6_21 F 0.1227(2) 0.5619(3) 0.79060(19) 0.0551(13) Uani 1 1 d D U . . .
C4_21 C 0.2143(3) 0.5932(3) 0.7227(3) 0.0441(17) Uani 1 1 d D U . . .
F7_21 F 0.26171(18) 0.5826(3) 0.7621(2) 0.0553(14) Uani 1 1 d D U . . .
F8_21 F 0.2209(2) 0.6393(2) 0.6947(2) 0.0575(13) Uani 1 1 d D U . . .
F9_21 F 0.20270(19) 0.5450(2) 0.6913(2) 0.0521(13) Uani 1 1 d D U . . .
O1_22 O 0.0382(4) 0.6743(5) 0.7029(5) 0.0295(13) Uani 0.813(4) 1 d D U P B 1
C1_22 C -0.0003(4) 0.7024(4) 0.7138(4) 0.0355(14) Uani 0.813(4) 1 d D U P B 1
C2_22 C -0.0091(4) 0.6721(4) 0.7604(3) 0.0400(17) Uani 0.813(4) 1 d D U P B 1
F1_22 F -0.0369(3) 0.7054(3) 0.7807(3) 0.066(2) Uani 0.813(4) 1 d D U P B 1
F2_22 F 0.0354(3) 0.6537(4) 0.7969(3) 0.079(2) Uani 0.813(4) 1 d D U P B 1
F3_22 F -0.0401(3) 0.6212(3) 0.7423(3) 0.0563(16) Uani 0.813(4) 1 d D U P B 1
C3_22 C -0.0549(3) 0.7043(4) 0.6652(3) 0.0384(17) Uani 0.813(4) 1 d D U P B 1
F4_22 F -0.0967(3) 0.7228(3) 0.6758(3) 0.0546(18) Uani 0.813(4) 1 d D U P B 1
F5_22 F -0.0664(3) 0.6529(3) 0.6407(3) 0.0603(17) Uani 0.813(4) 1 d D U P B 1
F6_22 F -0.0512(3) 0.7452(3) 0.6294(3) 0.0646(18) Uani 0.813(4) 1 d D U P B 1
C4_22 C 0.0198(4) 0.7682(4) 0.7300(4) 0.0453(18) Uani 0.813(4) 1 d D U P B 1
F7_22 F -0.0185(3) 0.8045(3) 0.7324(3) 0.064(2) Uani 0.813(4) 1 d D U P B 1
F8_22 F 0.0418(4) 0.7912(3) 0.6999(4) 0.078(2) Uani 0.813(4) 1 d D U P B 1
F9_22 F 0.0597(3) 0.7675(3) 0.7802(3) 0.0702(19) Uani 0.813(4) 1 d D U P B 1
O1_23 O 0.0331(16) 0.6725(19) 0.6996(19) 0.0295(13) Uani 0.187(4) 1 d D U P B 2
C1_23 C -0.0029(11) 0.7032(12) 0.7114(9) 0.0355(14) Uani 0.187(4) 1 d D U P B 2
C2_23 C -0.0391(9) 0.6614(10) 0.7290(8) 0.0400(17) Uani 0.187(4) 1 d D U P B 2
F1_23 F -0.0593(14) 0.6924(15) 0.7593(12) 0.066(2) Uani 0.187(4) 1 d D U P B 2
F2_23 F -0.0051(11) 0.6210(11) 0.7616(10) 0.0563(16) Uani 0.187(4) 1 d D U P B
2
F3_23 F -0.0748(10) 0.6431(13) 0.6810(9) 0.0603(17) Uani 0.187(4) 1 d D U P B 2
C3_23 C -0.0400(9) 0.7408(10) 0.6632(9) 0.0384(17) Uani 0.187(4) 1 d D U P B 2
F4_23 F -0.0873(11) 0.7500(14) 0.6684(14) 0.0546(18) Uani 0.187(4) 1 d D U P B
2
F5_23 F -0.0534(12) 0.7067(13) 0.6197(10) 0.0646(18) Uani 0.187(4) 1 d D U P B
2
F6_23 F -0.0109(13) 0.7914(11) 0.6662(15) 0.078(2) Uani 0.187(4) 1 d D U P B 2
C4_23 C 0.0262(9) 0.7476(10) 0.7573(9) 0.0453(18) Uani 0.187(4) 1 d D U P B 2
F7_23 F -0.0090(13) 0.7900(13) 0.7580(15) 0.064(2) Uani 0.187(4) 1 d D U P B 2
F8_23 F 0.0646(11) 0.7765(13) 0.7472(14) 0.0702(19) Uani 0.187(4) 1 d D U P B 2
F9_23 F 0.0397(13) 0.7115(15) 0.7999(11) 0.079(2) Uani 0.187(4) 1 d D U P B 2
O1_24 O 0.24317(18) 0.84972(17) 0.52757(17) 0.0220(9) Uani 1 1 d D U . . .
C1_24 C 0.2441(2) 0.8032(2) 0.4967(2) 0.0233(12) Uani 1 1 d D U . . .
C2_24 C 0.2112(3) 0.7496(3) 0.5045(3) 0.0354(15) Uani 1 1 d D U . . .
F1_24 F 0.1993(2) 0.70882(19) 0.46568(19) 0.0475(12) Uani 1 1 d D U . . .
F2_24 F 0.16502(18) 0.7683(2) 0.50646(19) 0.0429(10) Uani 1 1 d D U . . .
F3_24 F 0.2388(2) 0.7215(2) 0.55015(19) 0.0554(14) Uani 1 1 d D U . . .
C3_24 C 0.2189(3) 0.8207(3) 0.4370(2) 0.0326(14) Uani 1 1 d D U . . .
F4_24 F 0.2348(2) 0.7848(2) 0.40681(19) 0.0500(12) Uani 1 1 d D U . . .
F5_24 F 0.2340(2) 0.87628(19) 0.43059(19) 0.0475(12) Uani 1 1 d D U . . .
F6_24 F 0.16506(17) 0.82001(19) 0.41751(17) 0.0389(10) Uani 1 1 d D U . . .
C4_24 C 0.3035(3) 0.7849(3) 0.5117(3) 0.0380(16) Uani 1 1 d D U . . .
F7_24 F 0.3085(2) 0.7307(2) 0.4924(2) 0.0592(15) Uani 1 1 d D U . . .
F8_24 F 0.32971(19) 0.7827(2) 0.56379(19) 0.0507(12) Uani 1 1 d D U . . .
F9_24 F 0.3288(2) 0.8244(2) 0.4922(2) 0.0523(12) Uani 1 1 d D U . . .
O1_25 O 0.14459(18) 0.9107(2) 0.49919(19) 0.0288(10) Uani 1 1 d D U . . .
C1_25 C 0.0975(3) 0.9398(3) 0.4751(3) 0.0300(14) Uani 1 1 d D U . . .
C2_25 C 0.0517(3) 0.8934(3) 0.4577(3) 0.0459(18) Uani 1 1 d D U . . .
F1_25 F 0.00273(17) 0.9175(2) 0.4455(2) 0.0530(13) Uani 1 1 d D U . . .
F2_25 F 0.0587(2) 0.8526(2) 0.4949(2) 0.0597(14) Uani 1 1 d D U . . .
F3_25 F 0.0509(2) 0.8639(2) 0.4144(2) 0.0622(15) Uani 1 1 d D U . . .
C3_25 C 0.0883(3) 0.9867(3) 0.5124(3) 0.0385(16) Uani 1 1 d D U . . .
F4_25 F 0.04847(18) 1.0256(2) 0.4874(2) 0.0447(11) Uani 1 1 d D U . . .
F5_25 F 0.13217(18) 1.0174(2) 0.5389(2) 0.0495(12) Uani 1 1 d D U . . .
F6_25 F 0.0736(2) 0.9585(2) 0.5483(2) 0.0529(12) Uani 1 1 d D U . . .
C4_25 C 0.0972(3) 0.9742(3) 0.4254(3) 0.0442(17) Uani 1 1 d D U . . .
F7_25 F 0.0465(2) 0.9872(3) 0.3907(2) 0.0602(14) Uani 1 1 d D U . . .
F8_25 F 0.1212(2) 0.9428(2) 0.4000(2) 0.0538(13) Uani 1 1 d D U . . .
F9_25 F 0.1232(2) 1.0268(2) 0.4381(2) 0.0537(13) Uani 1 1 d D U . . .
O1_26 O 0.23598(18) 0.97713(18) 0.50990(18) 0.0246(10) Uani 1 1 d D U . . .
C1_26 C 0.2756(3) 1.0180(3) 0.5164(2) 0.0238(12) Uani 1 1 d D U . . .
C2_26 C 0.2615(3) 1.0511(3) 0.4631(2) 0.0311(14) Uani 1 1 d D U . . .
F1_26 F 0.30361(18) 1.08202(19) 0.46158(18) 0.0421(10) Uani 1 1 d D U . . .
F2_26 F 0.22104(18) 1.08985(18) 0.45456(18) 0.0394(10) Uani 1 1 d D U . . .
F3_26 F 0.24574(19) 1.01323(18) 0.42265(16) 0.0386(10) Uani 1 1 d D U . . .
C3_26 C 0.2801(3) 1.0632(3) 0.5605(2) 0.0319(14) Uani 1 1 d D U . . .
F4_26 F 0.3073(2) 1.11305(18) 0.55901(18) 0.0431(11) Uani 1 1 d D U . . .
F5_26 F 0.3045(2) 1.03817(19) 0.60832(16) 0.0440(11) Uani 1 1 d D U . . .
F6_26 F 0.23034(19) 1.08029(18) 0.55587(19) 0.0426(11) Uani 1 1 d D U . . .
C4_26 C 0.3307(3) 0.9856(3) 0.5314(3) 0.0315(14) Uani 1 1 d D U . . .
F7_26 F 0.37256(17) 1.0239(2) 0.54974(19) 0.0433(11) Uani 1 1 d D U . . .
F8_26 F 0.33369(19) 0.9578(2) 0.48910(18) 0.0419(10) Uani 1 1 d D U . . .
F9_26 F 0.33793(17) 0.94404(18) 0.56833(18) 0.0392(10) Uani 1 1 d D U . . .
O1_27 O 0.2293(2) 0.9283(2) 0.60151(18) 0.0293(10) Uani 1 1 d D U . . .
C1_27 C 0.2380(3) 0.9053(3) 0.6499(3) 0.0297(14) Uani 1 1 d D U . . .
C2_27 C 0.2921(3) 0.8707(3) 0.6717(3) 0.0479(18) Uani 1 1 d D U . . .
F1_27 F 0.3105(2) 0.8622(2) 0.72404(18) 0.0534(13) Uani 1 1 d D U . . .
F2_27 F 0.3299(2) 0.8998(3) 0.6613(2) 0.0576(14) Uani 1 1 d D U . . .
F3_27 F 0.2866(3) 0.8158(2) 0.6499(2) 0.0603(15) Uani 1 1 d D U . . .
C3_27 C 0.2405(3) 0.9586(3) 0.6872(3) 0.0369(16) Uani 1 1 d D U . . .
F4_27 F 0.2348(2) 0.9401(2) 0.73173(18) 0.0495(12) Uani 1 1 d D U . . .
F5_27 F 0.20242(19) 0.9983(2) 0.66322(18) 0.0441(11) Uani 1 1 d D U . . .
F6_27 F 0.2884(2) 0.9864(2) 0.70233(19) 0.0470(12) Uani 1 1 d D U . . .
C4_27 C 0.1920(3) 0.8624(3) 0.6475(3) 0.0426(17) Uani 1 1 d D U . . .
F7_27 F 0.2044(2) 0.8275(2) 0.69021(19) 0.0576(14) Uani 1 1 d D U . . .
F8_27 F 0.1784(2) 0.8266(2) 0.60528(19) 0.0553(14) Uani 1 1 d D U . . .
F9_27 F 0.1474(2) 0.8937(2) 0.6428(2) 0.0557(13) Uani 1 1 d D U . . .
O1_28 O 0.5301(2) 0.8826(2) 0.62549(18) 0.0340(12) Uani 1 1 d D U . . .
C1_28 C 0.5346(3) 0.8842(3) 0.5785(3) 0.0277(13) Uani 1 1 d D U . . .
C2_28 C 0.5762(3) 0.8369(3) 0.5763(3) 0.0400(16) Uani 1 1 d D U . . .
F1_28 F 0.5686(2) 0.8230(3) 0.52629(18) 0.0588(14) Uani 1 1 d D U . . .
F2_28 F 0.5721(3) 0.7863(2) 0.5995(2) 0.0607(14) Uani 1 1 d D U . . .
F3_28 F 0.6266(2) 0.8565(3) 0.6008(2) 0.0614(14) Uani 1 1 d D U . . .
C3_28 C 0.4787(3) 0.8699(3) 0.5351(3) 0.0402(16) Uani 1 1 d D U . . .
F4_28 F 0.4399(2) 0.8972(3) 0.5441(2) 0.0638(16) Uani 1 1 d D U . . .
F5_28 F 0.4684(2) 0.8102(2) 0.5328(2) 0.0588(14) Uani 1 1 d D U . . .
F6_28 F 0.4751(2) 0.8862(2) 0.48654(16) 0.0475(12) Uani 1 1 d D U . . .
C4_28 C 0.5539(3) 0.9474(3) 0.5690(3) 0.0458(18) Uani 1 1 d D U . . .
F7_28 F 0.5699(2) 0.9477(2) 0.5293(2) 0.0610(14) Uani 1 1 d D U . . .
F8_28 F 0.5941(2) 0.9664(2) 0.6126(2) 0.0643(16) Uani 1 1 d D U . . .
F9_28 F 0.5127(3) 0.9864(2) 0.5580(2) 0.0651(15) Uani 1 1 d D U . . .
O1_29 O 0.5546(3) 0.9633(3) 0.7121(2) 0.069(2) Uani 1 1 d D U . . .
C1_29 C 0.5325(3) 1.0139(3) 0.7220(3) 0.0385(15) Uani 1 1 d D U . . .
C2_29 C 0.5563(3) 1.0671(3) 0.7015(3) 0.0503(18) Uani 1 1 d D U . . .
F1_29 F 0.5488(3) 1.1197(2) 0.7202(3) 0.0698(17) Uani 1 1 d D U . . .
F2_29 F 0.5333(3) 1.0699(3) 0.6485(2) 0.0684(16) Uani 1 1 d D U . . .
F3_29 F 0.6092(2) 1.0615(3) 0.7149(3) 0.0797(19) Uani 1 1 d D U . . .
C3_29 C 0.4705(3) 1.0139(4) 0.6938(3) 0.057(2) Uani 1 1 d D U . . .
F4_29 F 0.4489(3) 1.0687(3) 0.6893(3) 0.0751(18) Uani 1 1 d D U . . .
F5_29 F 0.4484(3) 0.9793(3) 0.7195(3) 0.089(2) Uani 1 1 d D U . . .
F6_29 F 0.4560(3) 0.9911(3) 0.6453(2) 0.089(2) Uani 1 1 d D U . . .
C4_29 C 0.5490(3) 1.0215(3) 0.7822(3) 0.0423(17) Uani 1 1 d D U . . .
F7_29 F 0.5195(2) 1.0633(2) 0.7933(2) 0.0601(15) Uani 1 1 d D U . . .
F8_29 F 0.6012(2) 1.0355(2) 0.8063(2) 0.0603(14) Uani 1 1 d D U . . .
F9_29 F 0.5422(3) 0.9701(2) 0.8036(2) 0.0632(15) Uani 1 1 d D U . . .
O1_30 O 0.6305(3) 0.8862(6) 0.7109(6) 0.032(3) Uani 0.595(6) 1 d D U P C 1
C1_30 C 0.6799(6) 0.8797(5) 0.7497(5) 0.0297(15) Uani 0.595(6) 1 d D U P C 1
C2_30 C 0.7222(4) 0.9009(5) 0.7278(4) 0.0353(17) Uani 0.595(6) 1 d D U P C 1
F1_30 F 0.7709(4) 0.9087(7) 0.7657(6) 0.046(3) Uani 0.595(6) 1 d D U P C 1
F2_30 F 0.7079(7) 0.9539(6) 0.7025(5) 0.047(3) Uani 0.595(6) 1 d D U P C 1
F3_30 F 0.7267(4) 0.8619(4) 0.6924(4) 0.0510(19) Uani 0.595(6) 1 d D U P C 1
C3_30 C 0.6865(4) 0.9164(4) 0.7995(4) 0.0343(17) Uani 0.595(6) 1 d D U P C 1
F4_30 F 0.7300(3) 0.9001(4) 0.8419(3) 0.0449(19) Uani 0.595(6) 1 d D U P C 1
F5_30 F 0.6433(5) 0.9107(5) 0.8115(8) 0.039(2) Uani 0.595(6) 1 d D U P C 1
F6_30 F 0.6911(5) 0.9744(4) 0.7910(4) 0.048(2) Uani 0.595(6) 1 d D U P C 1
C4_30 C 0.6896(4) 0.8119(4) 0.7649(4) 0.0371(18) Uani 0.595(6) 1 d D U P C 1
F7_30 F 0.7424(4) 0.7998(6) 0.7905(4) 0.051(2) Uani 0.595(6) 1 d D U P C 1
F8_30 F 0.6718(8) 0.7776(7) 0.7214(7) 0.055(3) Uani 0.595(6) 1 d D U P C 1
F9_30 F 0.6654(7) 0.7950(5) 0.7965(6) 0.043(2) Uani 0.595(6) 1 d D U P C 1
O1_31 O 0.6279(5) 0.8692(10) 0.7093(9) 0.032(3) Uani 0.405(6) 1 d D U P C 2
C1_31 C 0.6782(8) 0.8685(6) 0.7466(7) 0.0297(15) Uani 0.405(6) 1 d D U P C 2
C2_31 C 0.7090(5) 0.9273(6) 0.7465(6) 0.0343(17) Uani 0.405(6) 1 d D U P C 2
F1_31 F 0.7630(6) 0.9220(12) 0.7712(9) 0.046(3) Uani 0.405(6) 1 d D U P C 2
F2_31 F 0.6945(8) 0.9716(6) 0.7718(7) 0.048(2) Uani 0.405(6) 1 d D U P C 2
F3_31 F 0.6977(12) 0.9446(10) 0.6962(7) 0.047(3) Uani 0.405(6) 1 d D U P C 2
C3_31 C 0.6767(5) 0.8592(6) 0.8018(5) 0.0353(17) Uani 0.405(6) 1 d D U P C 2
F4_31 F 0.7242(5) 0.8705(6) 0.8415(5) 0.0449(19) Uani 0.405(6) 1 d D U P C 2
F5_31 F 0.6630(11) 0.8029(7) 0.8071(10) 0.043(2) Uani 0.405(6) 1 d D U P C 2
F6_31 F 0.6400(8) 0.8956(9) 0.8088(13) 0.039(2) Uani 0.405(6) 1 d D U P C 2
C4_31 C 0.7081(5) 0.8145(6) 0.7341(5) 0.0371(18) Uani 0.405(6) 1 d D U P C 2
F7_31 F 0.7535(6) 0.7995(9) 0.7747(6) 0.051(2) Uani 0.405(6) 1 d D U P C 2
F8_31 F 0.7226(6) 0.8301(7) 0.6941(5) 0.0510(19) Uani 0.405(6) 1 d D U P C 2
F9_31 F 0.6764(12) 0.7667(11) 0.7217(10) 0.055(3) Uani 0.405(6) 1 d D U P C 2
O1_32 O 0.5259(4) 0.8459(6) 0.7215(6) 0.038(3) Uani 0.537(6) 1 d D U P C 1
C1_32 C 0.5007(7) 0.7977(8) 0.7230(5) 0.0356(14) Uani 0.537(6) 1 d D U P C 1
C2_32 C 0.4424(5) 0.8227(6) 0.7003(5) 0.055(2) Uani 0.537(6) 1 d D U P C 1
F1_32 F 0.4033(6) 0.7842(6) 0.6827(7) 0.065(3) Uani 0.537(6) 1 d D U P C 1
F2_32 F 0.4328(6) 0.8529(7) 0.7379(5) 0.079(3) Uani 0.537(6) 1 d D U P C 1
F3_32 F 0.4395(9) 0.8606(7) 0.6613(8) 0.058(3) Uani 0.537(6) 1 d D U P C 1
C3_32 C 0.5089(5) 0.7457(5) 0.6899(5) 0.050(2) Uani 0.537(6) 1 d D U P C 1
F4_32 F 0.4968(7) 0.6914(6) 0.7025(7) 0.072(3) Uani 0.537(6) 1 d D U P C 1
F5_32 F 0.5637(5) 0.7450(6) 0.7002(6) 0.065(3) Uani 0.537(6) 1 d D U P C 1
F6_32 F 0.4812(5) 0.7572(5) 0.6380(4) 0.060(2) Uani 0.537(6) 1 d D U P C 1
C4_32 C 0.5167(5) 0.7758(5) 0.7808(5) 0.048(2) Uani 0.537(6) 1 d D U P C 1
F7_32 F 0.4775(5) 0.7408(5) 0.7842(7) 0.054(3) Uani 0.537(6) 1 d D U P C 1
F8_32 F 0.5183(6) 0.8237(7) 0.8122(7) 0.063(3) Uani 0.537(6) 1 d D U P C 1
F9_32 F 0.5618(5) 0.7433(6) 0.7979(5) 0.068(2) Uani 0.537(6) 1 d D U P C 1
O1_33 O 0.5429(5) 0.8367(7) 0.7244(7) 0.038(3) Uani 0.463(6) 1 d D U P C 2
C1_33 C 0.5023(7) 0.7977(9) 0.7206(6) 0.0356(14) Uani 0.463(6) 1 d D U P C 2
C2_33 C 0.4497(6) 0.8012(7) 0.6701(5) 0.050(2) Uani 0.463(6) 1 d D U P C 2
F1_33 F 0.4131(7) 0.7642(7) 0.6768(9) 0.065(3) Uani 0.463(6) 1 d D U P C 2
F2_33 F 0.4282(11) 0.8542(8) 0.6539(10) 0.058(3) Uani 0.463(6) 1 d D U P C 2
F3_33 F 0.4545(6) 0.7785(6) 0.6271(5) 0.060(2) Uani 0.463(6) 1 d D U P C 2
C3_33 C 0.5251(6) 0.7332(6) 0.7225(6) 0.055(2) Uani 0.463(6) 1 d D U P C 2
F4_33 F 0.4797(7) 0.6966(8) 0.7051(8) 0.072(3) Uani 0.463(6) 1 d D U P C 2
F5_33 F 0.5599(5) 0.7243(7) 0.7720(5) 0.068(2) Uani 0.463(6) 1 d D U P C 2
F6_33 F 0.5471(6) 0.7247(7) 0.6877(6) 0.065(3) Uani 0.463(6) 1 d D U P C 2
C4_33 C 0.4859(6) 0.8053(6) 0.7688(5) 0.048(2) Uani 0.463(6) 1 d D U P C 2
F7_33 F 0.4606(6) 0.7565(6) 0.7766(8) 0.054(3) Uani 0.463(6) 1 d D U P C 2
F8_33 F 0.4526(7) 0.8525(7) 0.7612(7) 0.079(3) Uani 0.463(6) 1 d D U P C 2
F9_33 F 0.5335(6) 0.8124(9) 0.8116(7) 0.063(3) Uani 0.463(6) 1 d D U P C 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
Sn1 N1_2 2.319(7) . ?
Sn1 N1_1 2.345(8) . ?
Sn1 N1_3 2.425(8) . ?
Sn1 N1_4 2.547(10) . ?
Sn2 N1_7 2.320(6) . ?
Sn2 N1_10 2.373(7) . ?
Sn2 N1_8 2.377(7) . ?
N1_1 C1_1 1.117(11) . ?
C1_1 C2_1 1.457(12) . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
N1_2 C1_2 1.161(10) . ?
C1_2 C2_2 1.442(12) . ?
C2_2 H2A_2 0.9800 . ?
C2_2 H2B_2 0.9800 . ?
C2_2 H2C_2 0.9800 . ?
N1_3 C1_3 1.125(11) . ?
C2_3 C1_3 1.451(13) . ?
C2_3 H2A_3 0.9800 . ?
C2_3 H2B_3 0.9800 . ?
C2_3 H2C_3 0.9800 . ?
N1_4 C1_4 1.136(12) . ?
C2_4 C1_4 1.448(13) . ?
C2_4 H2A_4 0.9800 . ?
C2_4 H2B_4 0.9800 . ?
C2_4 H2C_4 0.9800 . ?
N1_5 C1_5 1.139(14) . ?
C2_5 C1_5 1.434(15) . ?
C2_5 H2A_5 0.9800 . ?
C2_5 H2B_5 0.9800 . ?
C2_5 H2C_5 0.9800 . ?
N1_6 C1_6 1.141(10) . ?
C2_6 C1_6 1.441(12) . ?
C2_6 H2A_6 0.9800 . ?
C2_6 H2B_6 0.9800 . ?
C2_6 H2C_6 0.9800 . ?
N1_7 C1_7 1.126(9) . ?
C1_7 C2_7 1.456(9) . ?
C2_7 H2A_7 0.9800 . ?
C2_7 H2B_7 0.9800 . ?
C2_7 H2C_7 0.9800 . ?
N1_8 C1_8 1.135(11) . ?
C1_8 C2_8 1.461(13) . ?
C2_8 H2A_8 0.9800 . ?
C2_8 H2B_8 0.9800 . ?
C2_8 H2C_8 0.9800 . ?
N1_9 C1_9 1.149(10) . ?
C2_9 C1_9 1.441(12) . ?
C2_9 H2A_9 0.9800 . ?
C2_9 H2B_9 0.9800 . ?
C2_9 H2C_9 0.9800 . ?
N1_10 C1_10 1.135(10) . ?
C2_10 C1_10 1.448(11) . ?
C2_10 H2A_10 0.9800 . ?
C2_10 H2B_10 0.9800 . ?
C2_10 H2C_10 0.9800 . ?
N1_11 C1_11 1.112(10) . ?
C2_11 C1_11 1.454(12) . ?
C2_11 H2A_11 0.9800 . ?
C2_11 H2B_11 0.9800 . ?
C2_11 H2C_11 0.9800 . ?
N1_12 C1_12 1.141(10) . ?
C2_12 C1_12 1.460(12) . ?
C2_12 H2A_12 0.9800 . ?
C2_12 H2B_12 0.9800 . ?
C2_12 H2C_12 0.9800 . ?
Al1 O1_16 1.720(7) . ?
Al1 O1_15 1.722(5) . ?
Al1 O1_13 1.726(5) . ?
Al1 O1_14 1.730(4) . ?
Al1 O1_17 1.735(14) . ?
Al2 O1_21 1.709(5) . ?
Al2 O1_34 1.721(15) . ?
Al2 O1_19 1.721(11) . ?
Al2 O1_23 1.72(3) . ?
Al2 O1_20 1.723(11) . ?
Al2 O1_18 1.729(6) . ?
Al2 O1_22 1.742(8) . ?
Al3 O1_27 1.720(5) . ?
Al3 O1_26 1.727(4) . ?
Al3 O1_24 1.730(4) . ?
Al3 O1_25 1.734(5) . ?
Al4 O1_33 1.696(11) . ?
Al4 O1_29 1.697(5) . ?
Al4 O1_28 1.716(5) . ?
Al4 O1_30 1.724(9) . ?
Al4 O1_31 1.734(12) . ?
Al4 O1_32 1.787(9) . ?
O1_13 C1_13 1.344(8) . ?
C1_13 C2_13 1.544(8) . ?
C1_13 C4_13 1.552(8) . ?
C1_13 C3_13 1.554(9) . ?
C2_13 F3_13 1.332(8) . ?
C2_13 F2_13 1.346(8) . ?
C2_13 F1_13 1.360(8) . ?
C3_13 F6_13 1.333(8) . ?
C3_13 F4_13 1.335(8) . ?
C3_13 F5_13 1.341(8) . ?
C4_13 F7_13 1.340(8) . ?
C4_13 F9_13 1.342(8) . ?
C4_13 F8_13 1.351(8) . ?
O1_14 C1_14 1.336(7) . ?
C1_14 C3_14 1.527(10) . ?
C1_14 C4_14 1.564(10) . ?
C1_14 C2_14 1.572(10) . ?
C2_14 F2_14 1.305(9) . ?
C2_14 F1_14 1.334(9) . ?
C2_14 F3_14 1.351(11) . ?
C3_14 F5_14 1.300(9) . ?
C3_14 F4_14 1.346(8) . ?
C3_14 F6_14 1.356(9) . ?
C4_14 F8_14 1.329(9) . ?
C4_14 F7_14 1.334(9) . ?
C4_14 F9_14 1.345(11) . ?
O1_15 C1_15 1.342(8) . ?
C1_15 C4_15 1.549(10) . ?
C1_15 C2_15 1.566(9) . ?
C1_15 C3_15 1.569(9) . ?
C2_15 F3_15 1.312(9) . ?
C2_15 F2_15 1.322(8) . ?
C2_15 F1_15 1.341(8) . ?
C3_15 F6_15 1.316(9) . ?
C3_15 F4_15 1.328(8) . ?
C3_15 F5_15 1.345(9) . ?
C4_15 F9_15 1.323(9) . ?
C4_15 F8_15 1.335(9) . ?
C4_15 F7_15 1.350(9) . ?
O1_16 C1_16 1.360(14) . ?
C1_16 C4_16 1.550(17) . ?
C1_16 C2_16 1.550(17) . ?
C1_16 C3_16 1.558(19) . ?
C2_16 F2_16 1.155(14) . ?
C2_16 F1_16 1.359(14) . ?
C2_16 F3_16 1.585(19) . ?
C3_16 F5_16 1.186(16) . ?
C3_16 F4_16 1.319(14) . ?
C3_16 F6_16 1.670(19) . ?
C4_16 F8_16 1.205(15) . ?
C4_16 F7_16 1.288(11) . ?
C4_16 F9_16 1.582(17) . ?
O1_17 C1_17 1.31(3) . ?
C1_17 C2_17 1.551(15) . ?
C1_17 C3_17 1.553(15) . ?
C1_17 C4_17 1.557(15) . ?
C2_17 F1_17 1.330(14) . ?
C2_17 F2_17 1.330(14) . ?
C2_17 F3_17 1.358(14) . ?
C3_17 F4_17 1.330(14) . ?
C3_17 F5_17 1.332(14) . ?
C3_17 F6_17 1.359(14) . ?
C4_17 F8_17 1.334(14) . ?
C4_17 F7_17 1.336(14) . ?
C4_17 F9_17 1.377(14) . ?
O1_18 C1_18 1.365(10) . ?
C1_18 C4_18 1.540(10) . ?
C1_18 C3_18 1.546(10) . ?
C1_18 C2_18 1.548(10) . ?
C2_18 F3_18 1.311(9) . ?
C2_18 F2_18 1.313(10) . ?
C2_18 F1_18 1.341(9) . ?
C3_18 F6_18 1.336(10) . ?
C3_18 F4_18 1.338(9) . ?
C3_18 F5_18 1.339(10) . ?
C4_18 F9_18 1.322(10) . ?
C4_18 F8_18 1.342(11) . ?
C4_18 F7_18 1.343(9) . ?
O1_34 C1_34 1.33(4) . ?
C1_34 C3_34 1.541(15) . ?
C1_34 C2_34 1.544(15) . ?
C1_34 C4_34 1.557(15) . ?
C2_34 F1_34 1.333(15) . ?
C2_34 F2_34 1.341(14) . ?
C2_34 F3_34 1.352(15) . ?
C3_34 F4_34 1.343(15) . ?
C3_34 F6_34 1.343(15) . ?
C3_34 F5_34 1.346(15) . ?
C4_34 F7_34 1.329(14) . ?
C4_34 F9_34 1.332(15) . ?
C4_34 F8_34 1.336(15) . ?
O1_19 C1_19 1.36(2) . ?
C1_19 C3_19 1.539(13) . ?
C1_19 C4_19 1.545(13) . ?
C1_19 C2_19 1.551(13) . ?
C2_19 F3_19 1.317(12) . ?
C2_19 F2_19 1.343(12) . ?
C2_19 F1_19 1.344(13) . ?
C3_19 F4_19 1.337(13) . ?
C3_19 F6_19 1.342(13) . ?
C3_19 F5_19 1.344(13) . ?
C4_19 F9_19 1.318(12) . ?
C4_19 F7_19 1.342(13) . ?
C4_19 F8_19 1.351(13) . ?
O1_20 C1_20 1.37(3) . ?
C1_20 C3_20 1.542(13) . ?
C1_20 C2_20 1.542(13) . ?
C1_20 C4_20 1.543(13) . ?
C2_20 F3_20 1.325(12) . ?
C2_20 F2_20 1.330(13) . ?
C2_20 F1_20 1.346(13) . ?
C3_20 F4_20 1.330(13) . ?
C3_20 F6_20 1.336(13) . ?
C3_20 F5_20 1.345(13) . ?
C4_20 F9_20 1.339(13) . ?
C4_20 F7_20 1.340(13) . ?
C4_20 F8_20 1.342(13) . ?
O1_21 C1_21 1.351(8) . ?
C1_21 C4_21 1.540(9) . ?
C1_21 C3_21 1.549(9) . ?
C1_21 C2_21 1.554(9) . ?
C2_21 F3_21 1.329(8) . ?
C2_21 F2_21 1.334(8) . ?
C2_21 F1_21 1.334(8) . ?
C3_21 F4_21 1.317(8) . ?
C3_21 F5_21 1.332(8) . ?
C3_21 F6_21 1.338(8) . ?
C4_21 F7_21 1.332(8) . ?
C4_21 F8_21 1.334(8) . ?
C4_21 F9_21 1.334(8) . ?
O1_22 C1_22 1.338(12) . ?
C1_22 C2_22 1.542(10) . ?
C1_22 C3_22 1.551(10) . ?
C1_22 C4_22 1.561(10) . ?
C2_22 F2_22 1.291(10) . ?
C2_22 F1_22 1.318(9) . ?
C2_22 F3_22 1.376(9) . ?
C3_22 F5_22 1.300(9) . ?
C3_22 F4_22 1.327(9) . ?
C3_22 F6_22 1.371(9) . ?
C4_22 F8_22 1.292(10) . ?
C4_22 F7_22 1.329(9) . ?
C4_22 F9_22 1.375(10) . ?
O1_23 C1_23 1.32(3) . ?
C1_23 C4_23 1.551(15) . ?
C1_23 C2_23 1.552(15) . ?
C1_23 C3_23 1.553(15) . ?
C2_23 F2_23 1.342(14) . ?
C2_23 F1_23 1.347(14) . ?
C2_23 F3_23 1.355(14) . ?
C3_23 F5_23 1.337(14) . ?
C3_23 F4_23 1.348(14) . ?
C3_23 F6_23 1.354(14) . ?
C4_23 F8_23 1.332(14) . ?
C4_23 F7_23 1.339(14) . ?
C4_23 F9_23 1.346(14) . ?
O1_24 C1_24 1.343(7) . ?
C1_24 C4_24 1.538(8) . ?
C1_24 C2_24 1.546(8) . ?
C1_24 C3_24 1.558(8) . ?
C2_24 F2_24 1.328(8) . ?
C2_24 F3_24 1.335(8) . ?
C2_24 F1_24 1.338(7) . ?
C3_24 F5_24 1.331(7) . ?
C3_24 F6_24 1.333(7) . ?
C3_24 F4_24 1.334(7) . ?
C4_24 F8_24 1.324(8) . ?
C4_24 F7_24 1.342(7) . ?
C4_24 F9_24 1.343(8) . ?
O1_25 C1_25 1.343(8) . ?
C1_25 C2_25 1.530(8) . ?
C1_25 C3_25 1.545(8) . ?
C1_25 C4_25 1.558(9) . ?
C2_25 F2_25 1.324(8) . ?
C2_25 F1_25 1.337(8) . ?
C2_25 F3_25 1.348(8) . ?
C3_25 F5_25 1.309(8) . ?
C3_25 F4_25 1.338(7) . ?
C3_25 F6_25 1.348(8) . ?
C4_25 F8_25 1.319(8) . ?
C4_25 F9_25 1.337(8) . ?
C4_25 F7_25 1.353(8) . ?
O1_26 C1_26 1.358(7) . ?
C1_26 C3_26 1.540(7) . ?
C1_26 C2_26 1.545(8) . ?
C1_26 C4_26 1.549(8) . ?
C2_26 F3_26 1.323(7) . ?
C2_26 F2_26 1.334(7) . ?
C2_26 F1_26 1.336(7) . ?
C3_26 F5_26 1.336(7) . ?
C3_26 F4_26 1.337(7) . ?
C3_26 F6_26 1.346(8) . ?
C4_26 F9_26 1.329(7) . ?
C4_26 F7_26 1.342(7) . ?
C4_26 F8_26 1.342(7) . ?
O1_27 C1_27 1.355(8) . ?
C1_27 C4_27 1.542(9) . ?
C1_27 C2_27 1.543(9) . ?
C1_27 C3_27 1.549(8) . ?
C2_27 F2_27 1.325(9) . ?
C2_27 F1_27 1.336(8) . ?
C2_27 F3_27 1.342(8) . ?
C3_27 F5_27 1.317(8) . ?
C3_27 F6_27 1.340(8) . ?
C3_27 F4_27 1.351(8) . ?
C4_27 F8_27 1.333(8) . ?
C4_27 F7_27 1.333(8) . ?
C4_27 F9_27 1.346(8) . ?
O1_28 C1_28 1.340(8) . ?
C1_28 C3_28 1.543(8) . ?
C1_28 C2_28 1.552(8) . ?
C1_28 C4_28 1.554(8) . ?
C2_28 F2_28 1.316(8) . ?
C2_28 F3_28 1.328(8) . ?
C2_28 F1_28 1.340(7) . ?
C3_28 F4_28 1.310(8) . ?
C3_28 F6_28 1.345(8) . ?
C3_28 F5_28 1.350(8) . ?
C4_28 F7_28 1.315(8) . ?
C4_28 F8_28 1.330(8) . ?
C4_28 F9_28 1.345(9) . ?
O1_29 C1_29 1.348(8) . ?
C1_29 C3_29 1.537(9) . ?
C1_29 C4_29 1.543(9) . ?
C1_29 C2_29 1.550(9) . ?
C2_29 F1_29 1.323(8) . ?
C2_29 F3_29 1.328(9) . ?
C2_29 F2_29 1.339(8) . ?
C3_29 F5_29 1.329(9) . ?
C3_29 F6_29 1.331(9) . ?
C3_29 F4_29 1.333(9) . ?
C4_29 F9_29 1.329(8) . ?
C4_29 F7_29 1.330(8) . ?
C4_29 F8_29 1.332(8) . ?
O1_30 C1_30 1.345(17) . ?
C1_30 C3_30 1.541(12) . ?
C1_30 C2_30 1.550(12) . ?
C1_30 C4_30 1.559(11) . ?
C2_30 F1_30 1.328(11) . ?
C2_30 F3_30 1.342(11) . ?
C2_30 F2_30 1.344(12) . ?
C3_30 F6_30 1.325(11) . ?
C3_30 F5_30 1.328(12) . ?
C3_30 F4_30 1.338(10) . ?
C4_30 F9_30 1.324(12) . ?
C4_30 F8_30 1.336(12) . ?
C4_30 F7_30 1.341(11) . ?
O1_31 C1_31 1.34(2) . ?
C1_31 C3_31 1.544(13) . ?
C1_31 C2_31 1.546(13) . ?
C1_31 C4_31 1.554(13) . ?
C2_31 F1_31 1.344(13) . ?
C2_31 F3_31 1.346(13) . ?
C2_31 F2_31 1.346(13) . ?
C3_31 F5_31 1.327(13) . ?
C3_31 F4_31 1.339(12) . ?
C3_31 F6_31 1.345(13) . ?
C4_31 F9_31 1.320(13) . ?
C4_31 F7_31 1.333(13) . ?
C4_31 F8_31 1.344(13) . ?
O1_32 C1_32 1.28(2) . ?
C1_32 C3_32 1.536(13) . ?
C1_32 C2_32 1.546(13) . ?
C1_32 C4_32 1.551(13) . ?
C2_32 F1_32 1.292(12) . ?
C2_32 F2_32 1.336(12) . ?
C2_32 F3_32 1.341(13) . ?
C3_32 F4_32 1.329(12) . ?
C3_32 F6_32 1.348(12) . ?
C3_32 F5_32 1.384(12) . ?
C4_32 F9_32 1.330(12) . ?
C4_32 F7_32 1.340(12) . ?
C4_32 F8_32 1.359(12) . ?
O1_33 C1_33 1.37(2) . ?
C1_33 C2_33 1.546(13) . ?
C1_33 C3_33 1.550(14) . ?
C1_33 C4_33 1.556(13) . ?
C2_33 F2_33 1.312(13) . ?
C2_33 F3_33 1.334(12) . ?
C2_33 F1_33 1.346(13) . ?
C3_33 F6_33 1.316(13) . ?
C3_33 F5_33 1.329(12) . ?
C3_33 F4_33 1.386(13) . ?
C4_33 F7_33 1.340(12) . ?
C4_33 F8_33 1.342(12) . ?
C4_33 F9_33 1.366(13) . ?

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
N1_2 Sn1 N1_1 76.8(3) . . ?
N1_2 Sn1 N1_3 77.5(2) . . ?
N1_1 Sn1 N1_3 78.3(2) . . ?
N1_2 Sn1 N1_4 75.4(3) . . ?
N1_1 Sn1 N1_4 81.5(3) . . ?
N1_3 Sn1 N1_4 149.2(2) . . ?
N1_7 Sn2 N1_10 77.8(2) . . ?
N1_7 Sn2 N1_8 77.4(2) . . ?
N1_10 Sn2 N1_8 79.9(2) . . ?
C1_1 N1_1 Sn1 172.8(7) . . ?
N1_1 C1_1 C2_1 179.3(9) . . ?
C1_1 C2_1 H2A_1 109.5 . . ?
C1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
C1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
C1_2 N1_2 Sn1 174.0(7) . . ?
N1_2 C1_2 C2_2 179.3(9) . . ?
C1_2 C2_2 H2A_2 109.5 . . ?
C1_2 C2_2 H2B_2 109.5 . . ?
H2A_2 C2_2 H2B_2 109.5 . . ?
C1_2 C2_2 H2C_2 109.5 . . ?
H2A_2 C2_2 H2C_2 109.5 . . ?
H2B_2 C2_2 H2C_2 109.5 . . ?
C1_3 N1_3 Sn1 167.5(7) . . ?
C1_3 C2_3 H2A_3 109.5 . . ?
C1_3 C2_3 H2B_3 109.5 . . ?
H2A_3 C2_3 H2B_3 109.5 . . ?
C1_3 C2_3 H2C_3 109.5 . . ?
H2A_3 C2_3 H2C_3 109.5 . . ?
H2B_3 C2_3 H2C_3 109.5 . . ?
N1_3 C1_3 C2_3 179.4(9) . . ?
C1_4 N1_4 Sn1 160.1(8) . . ?
C1_4 C2_4 H2A_4 109.5 . . ?
C1_4 C2_4 H2B_4 109.5 . . ?
H2A_4 C2_4 H2B_4 109.5 . . ?
C1_4 C2_4 H2C_4 109.5 . . ?
H2A_4 C2_4 H2C_4 109.5 . . ?
H2B_4 C2_4 H2C_4 109.5 . . ?
N1_4 C1_4 C2_4 179.0(12) . . ?
C1_5 C2_5 H2A_5 109.5 . . ?
C1_5 C2_5 H2B_5 109.5 . . ?
H2A_5 C2_5 H2B_5 109.5 . . ?
C1_5 C2_5 H2C_5 109.5 . . ?
H2A_5 C2_5 H2C_5 109.5 . . ?
H2B_5 C2_5 H2C_5 109.5 . . ?
N1_5 C1_5 C2_5 179.2(11) . . ?
C1_6 C2_6 H2A_6 109.5 . . ?
C1_6 C2_6 H2B_6 109.5 . . ?
H2A_6 C2_6 H2B_6 109.5 . . ?
C1_6 C2_6 H2C_6 109.5 . . ?
H2A_6 C2_6 H2C_6 109.5 . . ?
H2B_6 C2_6 H2C_6 109.5 . . ?
N1_6 C1_6 C2_6 178.9(9) . . ?
C1_7 N1_7 Sn2 166.0(6) . . ?
N1_7 C1_7 C2_7 178.4(8) . . ?
C1_7 C2_7 H2A_7 109.5 . . ?
C1_7 C2_7 H2B_7 109.5 . . ?
H2A_7 C2_7 H2B_7 109.5 . . ?
C1_7 C2_7 H2C_7 109.5 . . ?
H2A_7 C2_7 H2C_7 109.5 . . ?
H2B_7 C2_7 H2C_7 109.5 . . ?
C1_8 N1_8 Sn2 173.4(7) . . ?
N1_8 C1_8 C2_8 179.1(10) . . ?
C1_8 C2_8 H2A_8 109.5 . . ?
C1_8 C2_8 H2B_8 109.5 . . ?
H2A_8 C2_8 H2B_8 109.5 . . ?
C1_8 C2_8 H2C_8 109.5 . . ?
H2A_8 C2_8 H2C_8 109.5 . . ?
H2B_8 C2_8 H2C_8 109.5 . . ?
C1_9 C2_9 H2A_9 109.5 . . ?
C1_9 C2_9 H2B_9 109.5 . . ?
H2A_9 C2_9 H2B_9 109.5 . . ?
C1_9 C2_9 H2C_9 109.5 . . ?
H2A_9 C2_9 H2C_9 109.5 . . ?
H2B_9 C2_9 H2C_9 109.5 . . ?
N1_9 C1_9 C2_9 179.7(12) . . ?
C1_10 N1_10 Sn2 171.3(6) . . ?
C1_10 C2_10 H2A_10 109.5 . . ?
C1_10 C2_10 H2B_10 109.5 . . ?
H2A_10 C2_10 H2B_10 109.5 . . ?
C1_10 C2_10 H2C_10 109.5 . . ?
H2A_10 C2_10 H2C_10 109.5 . . ?
H2B_10 C2_10 H2C_10 109.5 . . ?
N1_10 C1_10 C2_10 179.6(9) . . ?
C1_11 C2_11 H2A_11 109.5 . . ?
C1_11 C2_11 H2B_11 109.5 . . ?
H2A_11 C2_11 H2B_11 109.5 . . ?
C1_11 C2_11 H2C_11 109.5 . . ?
H2A_11 C2_11 H2C_11 109.5 . . ?
H2B_11 C2_11 H2C_11 109.5 . . ?
N1_11 C1_11 C2_11 178.4(9) . . ?
C1_12 C2_12 H2A_12 109.5 . . ?
C1_12 C2_12 H2B_12 109.5 . . ?
H2A_12 C2_12 H2B_12 109.5 . . ?
C1_12 C2_12 H2C_12 109.5 . . ?
H2A_12 C2_12 H2C_12 109.5 . . ?
H2B_12 C2_12 H2C_12 109.5 . . ?
N1_12 C1_12 C2_12 178.9(9) . . ?
O1_16 Al1 O1_15 107.4(5) . . ?
O1_16 Al1 O1_13 112.8(6) . . ?
O1_15 Al1 O1_13 106.8(2) . . ?
O1_16 Al1 O1_14 108.4(5) . . ?
O1_15 Al1 O1_14 114.1(2) . . ?
O1_13 Al1 O1_14 107.5(2) . . ?
O1_15 Al1 O1_17 103.3(16) . . ?
O1_13 Al1 O1_17 114.7(17) . . ?
O1_14 Al1 O1_17 110.6(14) . . ?
O1_21 Al2 O1_34 111.2(18) . . ?
O1_21 Al2 O1_19 106.5(10) . . ?
O1_21 Al2 O1_23 111.2(15) . . ?
O1_34 Al2 O1_23 103(2) . . ?
O1_21 Al2 O1_20 108.2(11) . . ?
O1_34 Al2 O1_20 114.0(18) . . ?
O1_23 Al2 O1_20 110(2) . . ?
O1_21 Al2 O1_18 113.1(4) . . ?
O1_19 Al2 O1_18 106.8(10) . . ?
O1_21 Al2 O1_22 106.7(4) . . ?
O1_19 Al2 O1_22 114.3(12) . . ?
O1_18 Al2 O1_22 109.6(5) . . ?
O1_27 Al3 O1_26 108.9(2) . . ?
O1_27 Al3 O1_24 108.9(2) . . ?
O1_26 Al3 O1_24 112.0(2) . . ?
O1_27 Al3 O1_25 112.2(3) . . ?
O1_26 Al3 O1_25 106.8(2) . . ?
O1_24 Al3 O1_25 107.9(2) . . ?
O1_33 Al4 O1_29 115.2(7) . . ?
O1_33 Al4 O1_28 109.8(7) . . ?
O1_29 Al4 O1_28 112.6(3) . . ?
O1_29 Al4 O1_30 102.8(5) . . ?
O1_28 Al4 O1_30 109.0(6) . . ?
O1_33 Al4 O1_31 97.3(9) . . ?
O1_29 Al4 O1_31 114.9(8) . . ?
O1_28 Al4 O1_31 105.8(8) . . ?
O1_29 Al4 O1_32 104.7(6) . . ?
O1_28 Al4 O1_32 106.0(6) . . ?
O1_30 Al4 O1_32 121.7(6) . . ?
C1_13 O1_13 Al1 146.5(4) . . ?
O1_13 C1_13 C2_13 111.3(5) . . ?
O1_13 C1_13 C4_13 108.2(5) . . ?
C2_13 C1_13 C4_13 108.6(6) . . ?
O1_13 C1_13 C3_13 111.0(5) . . ?
C2_13 C1_13 C3_13 109.1(6) . . ?
C4_13 C1_13 C3_13 108.6(5) . . ?
F3_13 C2_13 F2_13 109.0(6) . . ?
F3_13 C2_13 F1_13 106.2(6) . . ?
F2_13 C2_13 F1_13 106.9(6) . . ?
F3_13 C2_13 C1_13 111.1(6) . . ?
F2_13 C2_13 C1_13 111.4(6) . . ?
F1_13 C2_13 C1_13 111.9(6) . . ?
F6_13 C3_13 F4_13 106.2(6) . . ?
F6_13 C3_13 F5_13 109.6(7) . . ?
F4_13 C3_13 F5_13 108.0(6) . . ?
F6_13 C3_13 C1_13 109.5(5) . . ?
F4_13 C3_13 C1_13 113.3(6) . . ?
F5_13 C3_13 C1_13 110.2(6) . . ?
F7_13 C4_13 F9_13 106.2(6) . . ?
F7_13 C4_13 F8_13 109.3(6) . . ?
F9_13 C4_13 F8_13 108.4(6) . . ?
F7_13 C4_13 C1_13 112.4(6) . . ?
F9_13 C4_13 C1_13 110.2(6) . . ?
F8_13 C4_13 C1_13 110.2(6) . . ?
C1_14 O1_14 Al1 146.3(4) . . ?
O1_14 C1_14 C3_14 112.3(5) . . ?
O1_14 C1_14 C4_14 110.8(6) . . ?
C3_14 C1_14 C4_14 109.7(6) . . ?
O1_14 C1_14 C2_14 108.3(6) . . ?
C3_14 C1_14 C2_14 108.1(6) . . ?
C4_14 C1_14 C2_14 107.5(6) . . ?
F2_14 C2_14 F1_14 108.7(7) . . ?
F2_14 C2_14 F3_14 107.8(8) . . ?
F1_14 C2_14 F3_14 108.9(7) . . ?
F2_14 C2_14 C1_14 110.9(7) . . ?
F1_14 C2_14 C1_14 111.1(7) . . ?
F3_14 C2_14 C1_14 109.3(6) . . ?
F5_14 C3_14 F4_14 108.1(6) . . ?
F5_14 C3_14 F6_14 106.4(6) . . ?
F4_14 C3_14 F6_14 106.5(6) . . ?
F5_14 C3_14 C1_14 112.5(6) . . ?
F4_14 C3_14 C1_14 113.4(6) . . ?
F6_14 C3_14 C1_14 109.6(6) . . ?
F8_14 C4_14 F7_14 108.1(7) . . ?
F8_14 C4_14 F9_14 107.4(7) . . ?
F7_14 C4_14 F9_14 109.8(7) . . ?
F8_14 C4_14 C1_14 109.7(6) . . ?
F7_14 C4_14 C1_14 111.8(7) . . ?
F9_14 C4_14 C1_14 109.9(7) . . ?
C1_15 O1_15 Al1 149.7(4) . . ?
O1_15 C1_15 C4_15 108.9(5) . . ?
O1_15 C1_15 C2_15 108.1(6) . . ?
C4_15 C1_15 C2_15 109.7(6) . . ?
O1_15 C1_15 C3_15 112.0(5) . . ?
C4_15 C1_15 C3_15 109.8(6) . . ?
C2_15 C1_15 C3_15 108.3(5) . . ?
F3_15 C2_15 F2_15 109.3(6) . . ?
F3_15 C2_15 F1_15 106.9(6) . . ?
F2_15 C2_15 F1_15 107.8(6) . . ?
F3_15 C2_15 C1_15 110.6(5) . . ?
F2_15 C2_15 C1_15 110.2(6) . . ?
F1_15 C2_15 C1_15 111.9(6) . . ?
F6_15 C3_15 F4_15 109.0(6) . . ?
F6_15 C3_15 F5_15 108.4(6) . . ?
F4_15 C3_15 F5_15 107.6(6) . . ?
F6_15 C3_15 C1_15 110.3(6) . . ?
F4_15 C3_15 C1_15 111.9(6) . . ?
F5_15 C3_15 C1_15 109.5(6) . . ?
F9_15 C4_15 F8_15 108.0(6) . . ?
F9_15 C4_15 F7_15 108.1(7) . . ?
F8_15 C4_15 F7_15 107.5(7) . . ?
F9_15 C4_15 C1_15 110.7(6) . . ?
F8_15 C4_15 C1_15 110.7(6) . . ?
F7_15 C4_15 C1_15 111.8(6) . . ?
C1_16 O1_16 Al1 146.4(10) . . ?
O1_16 C1_16 C4_16 112.0(10) . . ?
O1_16 C1_16 C2_16 106.8(10) . . ?
C4_16 C1_16 C2_16 108.9(11) . . ?
O1_16 C1_16 C3_16 109.9(11) . . ?
C4_16 C1_16 C3_16 107.1(11) . . ?
C2_16 C1_16 C3_16 112.2(12) . . ?
F2_16 C2_16 F1_16 115.5(12) . . ?
F2_16 C2_16 C1_16 119.6(11) . . ?
F1_16 C2_16 C1_16 111.1(11) . . ?
F2_16 C2_16 F3_16 104.4(12) . . ?
F1_16 C2_16 F3_16 105.0(10) . . ?
C1_16 C2_16 F3_16 98.2(11) . . ?
F5_16 C3_16 F4_16 115.7(14) . . ?
F5_16 C3_16 C1_16 122.7(11) . . ?
F4_16 C3_16 C1_16 115.8(13) . . ?
F5_16 C3_16 F6_16 99.8(11) . . ?
F4_16 C3_16 F6_16 99.2(10) . . ?
C1_16 C3_16 F6_16 95.4(11) . . ?
F8_16 C4_16 F7_16 117.2(11) . . ?
F8_16 C4_16 C1_16 117.7(9) . . ?
F7_16 C4_16 C1_16 117.3(11) . . ?
F8_16 C4_16 F9_16 99.2(10) . . ?
F7_16 C4_16 F9_16 98.7(10) . . ?
C1_16 C4_16 F9_16 100.2(10) . . ?
C1_17 O1_17 Al1 153(3) . . ?
O1_17 C1_17 C2_17 111(2) . . ?
O1_17 C1_17 C3_17 111(2) . . ?
C2_17 C1_17 C3_17 107.8(17) . . ?
O1_17 C1_17 C4_17 111(2) . . ?
C2_17 C1_17 C4_17 109.1(17) . . ?
C3_17 C1_17 C4_17 106.5(17) . . ?
F1_17 C2_17 F2_17 106.3(18) . . ?
F1_17 C2_17 F3_17 113.2(19) . . ?
F2_17 C2_17 F3_17 115.9(19) . . ?
F1_17 C2_17 C1_17 114(2) . . ?
F2_17 C2_17 C1_17 112.5(19) . . ?
F3_17 C2_17 C1_17 95.4(17) . . ?
F4_17 C3_17 F5_17 110(2) . . ?
F4_17 C3_17 F6_17 117(2) . . ?
F5_17 C3_17 F6_17 113.4(19) . . ?
F4_17 C3_17 C1_17 106(3) . . ?
F5_17 C3_17 C1_17 108(2) . . ?
F6_17 C3_17 C1_17 101.8(18) . . ?
F8_17 C4_17 F7_17 108.2(19) . . ?
F8_17 C4_17 F9_17 113.1(19) . . ?
F7_17 C4_17 F9_17 119(2) . . ?
F8_17 C4_17 C1_17 109.2(19) . . ?
F7_17 C4_17 C1_17 105(2) . . ?
F9_17 C4_17 C1_17 101.7(17) . . ?
C1_18 O1_18 Al2 150.0(6) . . ?
O1_18 C1_18 C4_18 109.1(7) . . ?
O1_18 C1_18 C3_18 110.0(7) . . ?
C4_18 C1_18 C3_18 108.8(7) . . ?
O1_18 C1_18 C2_18 110.6(7) . . ?
C4_18 C1_18 C2_18 109.1(7) . . ?
C3_18 C1_18 C2_18 109.2(7) . . ?
F3_18 C2_18 F2_18 107.2(8) . . ?
F3_18 C2_18 F1_18 108.9(7) . . ?
F2_18 C2_18 F1_18 107.5(8) . . ?
F3_18 C2_18 C1_18 110.7(7) . . ?
F2_18 C2_18 C1_18 110.5(7) . . ?
F1_18 C2_18 C1_18 111.9(7) . . ?
F6_18 C3_18 F4_18 107.8(8) . . ?
F6_18 C3_18 F5_18 107.3(8) . . ?
F4_18 C3_18 F5_18 106.7(7) . . ?
F6_18 C3_18 C1_18 110.7(8) . . ?
F4_18 C3_18 C1_18 112.7(7) . . ?
F5_18 C3_18 C1_18 111.4(7) . . ?
F9_18 C4_18 F8_18 107.5(8) . . ?
F9_18 C4_18 F7_18 107.3(8) . . ?
F8_18 C4_18 F7_18 108.0(9) . . ?
F9_18 C4_18 C1_18 110.9(7) . . ?
F8_18 C4_18 C1_18 110.5(8) . . ?
F7_18 C4_18 C1_18 112.4(7) . . ?
C1_34 O1_34 Al2 145(3) . . ?
O1_34 C1_34 C3_34 112(2) . . ?
O1_34 C1_34 C2_34 109(2) . . ?
C3_34 C1_34 C2_34 111.5(19) . . ?
O1_34 C1_34 C4_34 106(2) . . ?
C3_34 C1_34 C4_34 110.5(18) . . ?
C2_34 C1_34 C4_34 108.5(18) . . ?
F1_34 C2_34 F2_34 108(2) . . ?
F1_34 C2_34 F3_34 107(2) . . ?
F2_34 C2_34 F3_34 107(2) . . ?
F1_34 C2_34 C1_34 112(2) . . ?
F2_34 C2_34 C1_34 120(3) . . ?
F3_34 C2_34 C1_34 102(3) . . ?
F4_34 C3_34 F6_34 103(2) . . ?
F4_34 C3_34 F5_34 106(2) . . ?
F6_34 C3_34 F5_34 107(2) . . ?
F4_34 C3_34 C1_34 115(3) . . ?
F6_34 C3_34 C1_34 119(3) . . ?
F5_34 C3_34 C1_34 106(3) . . ?
F7_34 C4_34 F9_34 111(2) . . ?
F7_34 C4_34 F8_34 111(2) . . ?
F9_34 C4_34 F8_34 107(2) . . ?
F7_34 C4_34 C1_34 111(3) . . ?
F9_34 C4_34 C1_34 110(2) . . ?
F8_34 C4_34 C1_34 107(2) . . ?
C1_19 O1_19 Al2 148.3(19) . . ?
O1_19 C1_19 C3_19 108.3(14) . . ?
O1_19 C1_19 C4_19 111.5(16) . . ?
C3_19 C1_19 C4_19 109.1(13) . . ?
O1_19 C1_19 C2_19 110.0(16) . . ?
C3_19 C1_19 C2_19 109.4(12) . . ?
C4_19 C1_19 C2_19 108.5(12) . . ?
F3_19 C2_19 F2_19 107.8(12) . . ?
F3_19 C2_19 F1_19 109.4(14) . . ?
F2_19 C2_19 F1_19 110.9(13) . . ?
F3_19 C2_19 C1_19 111.4(12) . . ?
F2_19 C2_19 C1_19 108.6(12) . . ?
F1_19 C2_19 C1_19 108.7(17) . . ?
F4_19 C3_19 F6_19 103.3(13) . . ?
F4_19 C3_19 F5_19 111.6(13) . . ?
F6_19 C3_19 F5_19 104.8(13) . . ?
F4_19 C3_19 C1_19 115.5(16) . . ?
F6_19 C3_19 C1_19 110.4(12) . . ?
F5_19 C3_19 C1_19 110.5(12) . . ?
F9_19 C4_19 F7_19 109.5(15) . . ?
F9_19 C4_19 F8_19 108.4(13) . . ?
F7_19 C4_19 F8_19 110.3(14) . . ?
F9_19 C4_19 C1_19 111.6(13) . . ?
F7_19 C4_19 C1_19 107.7(17) . . ?
F8_19 C4_19 C1_19 109.4(12) . . ?
C1_20 O1_20 Al2 149(2) . . ?
O1_20 C1_20 C3_20 107.3(14) . . ?
O1_20 C1_20 C2_20 110.5(16) . . ?
C3_20 C1_20 C2_20 109.8(13) . . ?
O1_20 C1_20 C4_20 110.1(16) . . ?
C3_20 C1_20 C4_20 110.6(13) . . ?
C2_20 C1_20 C4_20 108.4(13) . . ?
F3_20 C2_20 F2_20 107.5(12) . . ?
F3_20 C2_20 F1_20 109.2(14) . . ?
F2_20 C2_20 F1_20 104.5(14) . . ?
F3_20 C2_20 C1_20 111.3(12) . . ?
F2_20 C2_20 C1_20 110.9(13) . . ?
F1_20 C2_20 C1_20 113.1(17) . . ?
F4_20 C3_20 F6_20 111.6(14) . . ?
F4_20 C3_20 F5_20 108.3(14) . . ?
F6_20 C3_20 F5_20 106.1(13) . . ?
F4_20 C3_20 C1_20 110.2(17) . . ?
F6_20 C3_20 C1_20 109.9(12) . . ?
F5_20 C3_20 C1_20 110.5(13) . . ?
F9_20 C4_20 F7_20 106.3(15) . . ?
F9_20 C4_20 F8_20 106.7(13) . . ?
F7_20 C4_20 F8_20 106.4(14) . . ?
F9_20 C4_20 C1_20 111.2(12) . . ?
F7_20 C4_20 C1_20 114.9(19) . . ?
F8_20 C4_20 C1_20 111.0(13) . . ?
C1_21 O1_21 Al2 147.8(5) . . ?
O1_21 C1_21 C4_21 107.5(6) . . ?
O1_21 C1_21 C3_21 111.1(6) . . ?
C4_21 C1_21 C3_21 109.3(6) . . ?
O1_21 C1_21 C2_21 111.7(6) . . ?
C4_21 C1_21 C2_21 108.8(6) . . ?
C3_21 C1_21 C2_21 108.3(6) . . ?
F3_21 C2_21 F2_21 106.6(6) . . ?
F3_21 C2_21 F1_21 108.3(7) . . ?
F2_21 C2_21 F1_21 107.5(6) . . ?
F3_21 C2_21 C1_21 110.6(6) . . ?
F2_21 C2_21 C1_21 111.4(6) . . ?
F1_21 C2_21 C1_21 112.1(6) . . ?
F4_21 C3_21 F5_21 107.9(6) . . ?
F4_21 C3_21 F6_21 107.9(6) . . ?
F5_21 C3_21 F6_21 106.4(6) . . ?
F4_21 C3_21 C1_21 113.1(6) . . ?
F5_21 C3_21 C1_21 111.0(6) . . ?
F6_21 C3_21 C1_21 110.2(6) . . ?
F7_21 C4_21 F8_21 107.7(6) . . ?
F7_21 C4_21 F9_21 106.8(6) . . ?
F8_21 C4_21 F9_21 107.1(6) . . ?
F7_21 C4_21 C1_21 114.1(6) . . ?
F8_21 C4_21 C1_21 109.8(6) . . ?
F9_21 C4_21 C1_21 111.1(6) . . ?
C1_22 O1_22 Al2 144.3(8) . . ?
O1_22 C1_22 C2_22 111.3(8) . . ?
O1_22 C1_22 C3_22 112.1(8) . . ?
C2_22 C1_22 C3_22 108.9(7) . . ?
O1_22 C1_22 C4_22 106.7(8) . . ?
C2_22 C1_22 C4_22 108.7(7) . . ?
C3_22 C1_22 C4_22 109.0(7) . . ?
F2_22 C2_22 F1_22 110.9(8) . . ?
F2_22 C2_22 F3_22 105.5(8) . . ?
F1_22 C2_22 F3_22 104.6(7) . . ?
F2_22 C2_22 C1_22 112.6(8) . . ?
F1_22 C2_22 C1_22 113.5(8) . . ?
F3_22 C2_22 C1_22 109.1(7) . . ?
F5_22 C3_22 F4_22 109.5(7) . . ?
F5_22 C3_22 F6_22 106.4(7) . . ?
F4_22 C3_22 F6_22 104.7(7) . . ?
F5_22 C3_22 C1_22 112.0(7) . . ?
F4_22 C3_22 C1_22 114.7(7) . . ?
F6_22 C3_22 C1_22 109.0(7) . . ?
F8_22 C4_22 F7_22 110.3(8) . . ?
F8_22 C4_22 F9_22 105.8(8) . . ?
F7_22 C4_22 F9_22 105.8(7) . . ?
F8_22 C4_22 C1_22 112.5(7) . . ?
F7_22 C4_22 C1_22 113.1(8) . . ?
F9_22 C4_22 C1_22 108.9(7) . . ?
C1_23 O1_23 Al2 152(3) . . ?
O1_23 C1_23 C4_23 110(2) . . ?
O1_23 C1_23 C2_23 112(2) . . ?
C4_23 C1_23 C2_23 107.9(17) . . ?
O1_23 C1_23 C3_23 111(2) . . ?
C4_23 C1_23 C3_23 107.5(17) . . ?
C2_23 C1_23 C3_23 108.3(17) . . ?
F2_23 C2_23 F1_23 105.3(18) . . ?
F2_23 C2_23 F3_23 119(2) . . ?
F1_23 C2_23 F3_23 117(2) . . ?
F2_23 C2_23 C1_23 105(2) . . ?
F1_23 C2_23 C1_23 110(2) . . ?
F3_23 C2_23 C1_23 99.7(19) . . ?
F5_23 C3_23 F4_23 104.2(18) . . ?
F5_23 C3_23 F6_23 118(2) . . ?
F4_23 C3_23 F6_23 114(2) . . ?
F5_23 C3_23 C1_23 108(2) . . ?
F4_23 C3_23 C1_23 108(2) . . ?
F6_23 C3_23 C1_23 103(2) . . ?
F8_23 C4_23 F7_23 105.8(18) . . ?
F8_23 C4_23 F9_23 120(2) . . ?
F7_23 C4_23 F9_23 111(2) . . ?
F8_23 C4_23 C1_23 109(2) . . ?
F7_23 C4_23 C1_23 109(2) . . ?
F9_23 C4_23 C1_23 102(2) . . ?
C1_24 O1_24 Al3 149.0(4) . . ?
O1_24 C1_24 C4_24 107.9(5) . . ?
O1_24 C1_24 C2_24 110.7(5) . . ?
C4_24 C1_24 C2_24 110.4(5) . . ?
O1_24 C1_24 C3_24 111.2(5) . . ?
C4_24 C1_24 C3_24 109.1(5) . . ?
C2_24 C1_24 C3_24 107.5(5) . . ?
F2_24 C2_24 F3_24 107.1(6) . . ?
F2_24 C2_24 F1_24 107.8(6) . . ?
F3_24 C2_24 F1_24 107.6(5) . . ?
F2_24 C2_24 C1_24 110.9(5) . . ?
F3_24 C2_24 C1_24 110.5(5) . . ?
F1_24 C2_24 C1_24 112.6(6) . . ?
F5_24 C3_24 F6_24 107.2(5) . . ?
F5_24 C3_24 F4_24 106.6(6) . . ?
F6_24 C3_24 F4_24 107.7(5) . . ?
F5_24 C3_24 C1_24 110.0(5) . . ?
F6_24 C3_24 C1_24 112.2(5) . . ?
F4_24 C3_24 C1_24 112.9(5) . . ?
F8_24 C4_24 F7_24 107.4(6) . . ?
F8_24 C4_24 F9_24 108.4(6) . . ?
F7_24 C4_24 F9_24 106.6(6) . . ?
F8_24 C4_24 C1_24 110.9(5) . . ?
F7_24 C4_24 C1_24 112.6(5) . . ?
F9_24 C4_24 C1_24 110.7(5) . . ?
C1_25 O1_25 Al3 147.0(4) . . ?
O1_25 C1_25 C2_25 108.5(5) . . ?
O1_25 C1_25 C3_25 111.2(5) . . ?
C2_25 C1_25 C3_25 110.2(6) . . ?
O1_25 C1_25 C4_25 110.4(5) . . ?
C2_25 C1_25 C4_25 109.0(6) . . ?
C3_25 C1_25 C4_25 107.4(5) . . ?
F2_25 C2_25 F1_25 107.3(6) . . ?
F2_25 C2_25 F3_25 107.0(6) . . ?
F1_25 C2_25 F3_25 107.2(6) . . ?
F2_25 C2_25 C1_25 111.5(6) . . ?
F1_25 C2_25 C1_25 113.6(6) . . ?
F3_25 C2_25 C1_25 109.9(6) . . ?
F5_25 C3_25 F4_25 108.3(6) . . ?
F5_25 C3_25 F6_25 107.0(6) . . ?
F4_25 C3_25 F6_25 105.8(6) . . ?
F5_25 C3_25 C1_25 112.2(6) . . ?
F4_25 C3_25 C1_25 113.4(6) . . ?
F6_25 C3_25 C1_25 109.7(6) . . ?
F8_25 C4_25 F9_25 106.6(6) . . ?
F8_25 C4_25 F7_25 107.8(6) . . ?
F9_25 C4_25 F7_25 106.0(6) . . ?
F8_25 C4_25 C1_25 111.5(6) . . ?
F9_25 C4_25 C1_25 112.2(6) . . ?
F7_25 C4_25 C1_25 112.4(6) . . ?
C1_26 O1_26 Al3 147.9(4) . . ?
O1_26 C1_26 C3_26 110.9(5) . . ?
O1_26 C1_26 C2_26 107.7(5) . . ?
C3_26 C1_26 C2_26 110.4(5) . . ?
O1_26 C1_26 C4_26 110.0(5) . . ?
C3_26 C1_26 C4_26 108.7(5) . . ?
C2_26 C1_26 C4_26 109.1(5) . . ?
F3_26 C2_26 F2_26 106.8(5) . . ?
F3_26 C2_26 F1_26 107.4(5) . . ?
F2_26 C2_26 F1_26 107.7(5) . . ?
F3_26 C2_26 C1_26 111.8(5) . . ?
F2_26 C2_26 C1_26 110.8(5) . . ?
F1_26 C2_26 C1_26 112.1(5) . . ?
F5_26 C3_26 F4_26 108.1(5) . . ?
F5_26 C3_26 F6_26 107.5(5) . . ?
F4_26 C3_26 F6_26 107.3(5) . . ?
F5_26 C3_26 C1_26 111.0(5) . . ?
F4_26 C3_26 C1_26 113.0(5) . . ?
F6_26 C3_26 C1_26 109.8(5) . . ?
F9_26 C4_26 F7_26 107.6(5) . . ?
F9_26 C4_26 F8_26 107.3(5) . . ?
F7_26 C4_26 F8_26 107.0(5) . . ?
F9_26 C4_26 C1_26 111.5(5) . . ?
F7_26 C4_26 C1_26 112.2(5) . . ?
F8_26 C4_26 C1_26 110.9(5) . . ?
C1_27 O1_27 Al3 148.8(4) . . ?
O1_27 C1_27 C4_27 111.1(6) . . ?
O1_27 C1_27 C2_27 110.2(6) . . ?
C4_27 C1_27 C2_27 109.1(6) . . ?
O1_27 C1_27 C3_27 107.7(5) . . ?
C4_27 C1_27 C3_27 109.2(5) . . ?
C2_27 C1_27 C3_27 109.5(6) . . ?
F2_27 C2_27 F1_27 107.9(6) . . ?
F2_27 C2_27 F3_27 107.9(6) . . ?
F1_27 C2_27 F3_27 106.4(6) . . ?
F2_27 C2_27 C1_27 111.0(6) . . ?
F1_27 C2_27 C1_27 112.6(6) . . ?
F3_27 C2_27 C1_27 110.8(6) . . ?
F5_27 C3_27 F6_27 108.1(6) . . ?
F5_27 C3_27 F4_27 108.4(6) . . ?
F6_27 C3_27 F4_27 107.1(6) . . ?
F5_27 C3_27 C1_27 111.0(5) . . ?
F6_27 C3_27 C1_27 110.2(5) . . ?
F4_27 C3_27 C1_27 111.9(6) . . ?
F8_27 C4_27 F7_27 107.8(6) . . ?
F8_27 C4_27 F9_27 107.0(6) . . ?
F7_27 C4_27 F9_27 107.1(6) . . ?
F8_27 C4_27 C1_27 110.5(6) . . ?
F7_27 C4_27 C1_27 113.4(6) . . ?
F9_27 C4_27 C1_27 110.6(6) . . ?
C1_28 O1_28 Al4 146.8(5) . . ?
O1_28 C1_28 C3_28 108.1(5) . . ?
O1_28 C1_28 C2_28 110.9(5) . . ?
C3_28 C1_28 C2_28 109.2(5) . . ?
O1_28 C1_28 C4_28 110.2(5) . . ?
C3_28 C1_28 C4_28 110.1(5) . . ?
C2_28 C1_28 C4_28 108.2(6) . . ?
F2_28 C2_28 F3_28 107.2(6) . . ?
F2_28 C2_28 F1_28 106.9(6) . . ?
F3_28 C2_28 F1_28 108.2(6) . . ?
F2_28 C2_28 C1_28 111.3(6) . . ?
F3_28 C2_28 C1_28 111.3(6) . . ?
F1_28 C2_28 C1_28 111.7(5) . . ?
F4_28 C3_28 F6_28 107.8(6) . . ?
F4_28 C3_28 F5_28 107.5(7) . . ?
F6_28 C3_28 F5_28 106.5(6) . . ?
F4_28 C3_28 C1_28 111.4(6) . . ?
F6_28 C3_28 C1_28 112.4(6) . . ?
F5_28 C3_28 C1_28 111.0(6) . . ?
F7_28 C4_28 F8_28 109.3(7) . . ?
F7_28 C4_28 F9_28 108.5(6) . . ?
F8_28 C4_28 F9_28 107.7(6) . . ?
F7_28 C4_28 C1_28 112.5(6) . . ?
F8_28 C4_28 C1_28 110.0(6) . . ?
F9_28 C4_28 C1_28 108.7(6) . . ?
C1_29 O1_29 Al4 161.7(7) . . ?
O1_29 C1_29 C3_29 112.0(6) . . ?
O1_29 C1_29 C4_29 109.9(6) . . ?
C3_29 C1_29 C4_29 110.0(6) . . ?
O1_29 C1_29 C2_29 106.8(6) . . ?
C3_29 C1_29 C2_29 109.6(6) . . ?
C4_29 C1_29 C2_29 108.5(6) . . ?
F1_29 C2_29 F3_29 106.4(7) . . ?
F1_29 C2_29 F2_29 107.8(6) . . ?
F3_29 C2_29 F2_29 107.2(6) . . ?
F1_29 C2_29 C1_29 112.7(6) . . ?
F3_29 C2_29 C1_29 112.0(6) . . ?
F2_29 C2_29 C1_29 110.3(7) . . ?
F5_29 C3_29 F6_29 107.0(8) . . ?
F5_29 C3_29 F4_29 107.9(8) . . ?
F6_29 C3_29 F4_29 107.9(7) . . ?
F5_29 C3_29 C1_29 110.6(7) . . ?
F6_29 C3_29 C1_29 110.0(7) . . ?
F4_29 C3_29 C1_29 113.2(7) . . ?
F9_29 C4_29 F7_29 107.6(6) . . ?
F9_29 C4_29 F8_29 106.3(6) . . ?
F7_29 C4_29 F8_29 109.1(6) . . ?
F9_29 C4_29 C1_29 110.3(6) . . ?
F7_29 C4_29 C1_29 111.9(6) . . ?
F8_29 C4_29 C1_29 111.4(6) . . ?
C1_30 O1_30 Al4 148.4(13) . . ?
O1_30 C1_30 C3_30 112.6(11) . . ?
O1_30 C1_30 C2_30 107.8(10) . . ?
C3_30 C1_30 C2_30 109.5(9) . . ?
O1_30 C1_30 C4_30 109.0(10) . . ?
C3_30 C1_30 C4_30 109.0(9) . . ?
C2_30 C1_30 C4_30 108.9(9) . . ?
F1_30 C2_30 F3_30 108.1(10) . . ?
F1_30 C2_30 F2_30 106.6(11) . . ?
F3_30 C2_30 F2_30 106.3(11) . . ?
F1_30 C2_30 C1_30 112.6(11) . . ?
F3_30 C2_30 C1_30 111.8(9) . . ?
F2_30 C2_30 C1_30 111.2(11) . . ?
F6_30 C3_30 F5_30 106.7(10) . . ?
F6_30 C3_30 F4_30 107.8(9) . . ?
F5_30 C3_30 F4_30 108.2(11) . . ?
F6_30 C3_30 C1_30 110.1(9) . . ?
F5_30 C3_30 C1_30 111.0(11) . . ?
F4_30 C3_30 C1_30 112.8(10) . . ?
F9_30 C4_30 F8_30 109.0(12) . . ?
F9_30 C4_30 F7_30 106.8(11) . . ?
F8_30 C4_30 F7_30 106.9(12) . . ?
F9_30 C4_30 C1_30 112.0(10) . . ?
F8_30 C4_30 C1_30 110.4(11) . . ?
F7_30 C4_30 C1_30 111.5(10) . . ?
C1_31 O1_31 Al4 146.1(17) . . ?
O1_31 C1_31 C3_31 110.2(15) . . ?
O1_31 C1_31 C2_31 111.7(15) . . ?
C3_31 C1_31 C2_31 109.6(12) . . ?
O1_31 C1_31 C4_31 107.1(13) . . ?
C3_31 C1_31 C4_31 109.0(12) . . ?
C2_31 C1_31 C4_31 109.2(12) . . ?
F1_31 C2_31 F3_31 108.0(16) . . ?
F1_31 C2_31 F2_31 105.9(14) . . ?
F3_31 C2_31 F2_31 108.9(15) . . ?
F1_31 C2_31 C1_31 113.4(17) . . ?
F3_31 C2_31 C1_31 109.7(15) . . ?
F2_31 C2_31 C1_31 110.8(12) . . ?
F5_31 C3_31 F4_31 107.8(15) . . ?
F5_31 C3_31 F6_31 107.5(15) . . ?
F4_31 C3_31 F6_31 106.8(15) . . ?
F5_31 C3_31 C1_31 110.4(14) . . ?
F4_31 C3_31 C1_31 113.1(13) . . ?
F6_31 C3_31 C1_31 111.0(16) . . ?
F9_31 C4_31 F7_31 107.5(16) . . ?
F9_31 C4_31 F8_31 111.0(15) . . ?
F7_31 C4_31 F8_31 106.5(13) . . ?
F9_31 C4_31 C1_31 110.0(17) . . ?
F7_31 C4_31 C1_31 113.1(14) . . ?
F8_31 C4_31 C1_31 108.6(12) . . ?
C1_32 O1_32 Al4 151.7(13) . . ?
O1_32 C1_32 C3_32 114.4(13) . . ?
O1_32 C1_32 C2_32 98.8(11) . . ?
C3_32 C1_32 C2_32 112.8(12) . . ?
O1_32 C1_32 C4_32 110.9(13) . . ?
C3_32 C1_32 C4_32 108.8(11) . . ?
C2_32 C1_32 C4_32 110.9(11) . . ?
F1_32 C2_32 F2_32 104.4(12) . . ?
F1_32 C2_32 F3_32 109.4(14) . . ?
F2_32 C2_32 F3_32 109.3(14) . . ?
F1_32 C2_32 C1_32 117.4(13) . . ?
F2_32 C2_32 C1_32 109.9(12) . . ?
F3_32 C2_32 C1_32 106.3(13) . . ?
F4_32 C3_32 F6_32 110.8(12) . . ?
F4_32 C3_32 F5_32 106.5(11) . . ?
F6_32 C3_32 F5_32 108.9(11) . . ?
F4_32 C3_32 C1_32 115.0(13) . . ?
F6_32 C3_32 C1_32 109.5(11) . . ?
F5_32 C3_32 C1_32 105.8(11) . . ?
F9_32 C4_32 F7_32 107.1(11) . . ?
F9_32 C4_32 F8_32 113.8(12) . . ?
F7_32 C4_32 F8_32 104.0(12) . . ?
F9_32 C4_32 C1_32 112.4(11) . . ?
F7_32 C4_32 C1_32 110.0(13) . . ?
F8_32 C4_32 C1_32 109.3(12) . . ?
C1_33 O1_33 Al4 144.1(13) . . ?
O1_33 C1_33 C2_33 117.5(14) . . ?
O1_33 C1_33 C3_33 106.9(13) . . ?
C2_33 C1_33 C3_33 106.7(13) . . ?
O1_33 C1_33 C4_33 110.3(14) . . ?
C2_33 C1_33 C4_33 107.1(12) . . ?
C3_33 C1_33 C4_33 108.0(12) . . ?
F2_33 C2_33 F3_33 102.8(14) . . ?
F2_33 C2_33 F1_33 110.2(15) . . ?
F3_33 C2_33 F1_33 102.4(13) . . ?
F2_33 C2_33 C1_33 118.4(16) . . ?
F3_33 C2_33 C1_33 113.7(12) . . ?
F1_33 C2_33 C1_33 108.0(14) . . ?
F6_33 C3_33 F5_33 112.4(13) . . ?
F6_33 C3_33 F4_33 104.4(13) . . ?
F5_33 C3_33 F4_33 116.0(14) . . ?
F6_33 C3_33 C1_33 113.1(13) . . ?
F5_33 C3_33 C1_33 106.5(12) . . ?
F4_33 C3_33 C1_33 104.4(14) . . ?
F7_33 C4_33 F8_33 108.0(14) . . ?
F7_33 C4_33 F9_33 108.7(14) . . ?
F8_33 C4_33 F9_33 112.8(13) . . ?
F7_33 C4_33 C1_33 112.2(15) . . ?
F8_33 C4_33 C1_33 110.1(12) . . ?
F9_33 C4_33 C1_33 105.2(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1_16 Al1 O1_13 C1_13 -82.0(9) . . . . ?
O1_15 Al1 O1_13 C1_13 160.2(8) . . . . ?
O1_14 Al1 O1_13 C1_13 37.4(9) . . . . ?
O1_17 Al1 O1_13 C1_13 -86.0(18) . . . . ?
Al1 O1_13 C1_13 C2_13 -64.7(10) . . . . ?
Al1 O1_13 C1_13 C4_13 176.0(6) . . . . ?
Al1 O1_13 C1_13 C3_13 57.0(10) . . . . ?
O1_13 C1_13 C2_13 F3_13 -40.4(8) . . . . ?
C4_13 C1_13 C2_13 F3_13 78.7(7) . . . . ?
C3_13 C1_13 C2_13 F3_13 -163.2(6) . . . . ?
O1_13 C1_13 C2_13 F2_13 81.4(7) . . . . ?
C4_13 C1_13 C2_13 F2_13 -159.6(6) . . . . ?
C3_13 C1_13 C2_13 F2_13 -41.4(7) . . . . ?
O1_13 C1_13 C2_13 F1_13 -159.0(6) . . . . ?
C4_13 C1_13 C2_13 F1_13 -39.9(8) . . . . ?
C3_13 C1_13 C2_13 F1_13 78.3(7) . . . . ?
O1_13 C1_13 C3_13 F6_13 -45.3(8) . . . . ?
C2_13 C1_13 C3_13 F6_13 77.7(7) . . . . ?
C4_13 C1_13 C3_13 F6_13 -164.1(6) . . . . ?
O1_13 C1_13 C3_13 F4_13 -163.6(6) . . . . ?
C2_13 C1_13 C3_13 F4_13 -40.6(8) . . . . ?
C4_13 C1_13 C3_13 F4_13 77.6(7) . . . . ?
O1_13 C1_13 C3_13 F5_13 75.3(7) . . . . ?
C2_13 C1_13 C3_13 F5_13 -161.7(6) . . . . ?
C4_13 C1_13 C3_13 F5_13 -43.5(8) . . . . ?
O1_13 C1_13 C4_13 F7_13 -163.1(6) . . . . ?
C2_13 C1_13 C4_13 F7_13 75.9(7) . . . . ?
C3_13 C1_13 C4_13 F7_13 -42.6(8) . . . . ?
O1_13 C1_13 C4_13 F9_13 -44.8(8) . . . . ?
C2_13 C1_13 C4_13 F9_13 -165.8(6) . . . . ?
C3_13 C1_13 C4_13 F9_13 75.7(7) . . . . ?
O1_13 C1_13 C4_13 F8_13 74.7(7) . . . . ?
C2_13 C1_13 C4_13 F8_13 -46.3(7) . . . . ?
C3_13 C1_13 C4_13 F8_13 -164.7(6) . . . . ?
O1_16 Al1 O1_14 C1_14 -31.6(10) . . . . ?
O1_15 Al1 O1_14 C1_14 88.0(8) . . . . ?
O1_13 Al1 O1_14 C1_14 -153.8(8) . . . . ?
O1_17 Al1 O1_14 C1_14 -28(2) . . . . ?
Al1 O1_14 C1_14 C3_14 57.0(11) . . . . ?
Al1 O1_14 C1_14 C4_14 -66.1(10) . . . . ?
Al1 O1_14 C1_14 C2_14 176.3(7) . . . . ?
O1_14 C1_14 C2_14 F2_14 41.1(9) . . . . ?
C3_14 C1_14 C2_14 F2_14 163.0(7) . . . . ?
C4_14 C1_14 C2_14 F2_14 -78.7(8) . . . . ?
O1_14 C1_14 C2_14 F1_14 162.1(6) . . . . ?
C3_14 C1_14 C2_14 F1_14 -76.0(8) . . . . ?
C4_14 C1_14 C2_14 F1_14 42.3(9) . . . . ?
O1_14 C1_14 C2_14 F3_14 -77.6(8) . . . . ?
C3_14 C1_14 C2_14 F3_14 44.3(8) . . . . ?
C4_14 C1_14 C2_14 F3_14 162.7(6) . . . . ?
O1_14 C1_14 C3_14 F5_14 37.8(8) . . . . ?
C4_14 C1_14 C3_14 F5_14 161.6(6) . . . . ?
C2_14 C1_14 C3_14 F5_14 -81.5(7) . . . . ?
O1_14 C1_14 C3_14 F4_14 160.9(6) . . . . ?
C4_14 C1_14 C3_14 F4_14 -75.4(8) . . . . ?
C2_14 C1_14 C3_14 F4_14 41.5(8) . . . . ?
O1_14 C1_14 C3_14 F6_14 -80.3(7) . . . . ?
C4_14 C1_14 C3_14 F6_14 43.4(7) . . . . ?
C2_14 C1_14 C3_14 F6_14 160.3(6) . . . . ?
O1_14 C1_14 C4_14 F8_14 43.9(8) . . . . ?
C3_14 C1_14 C4_14 F8_14 -80.6(8) . . . . ?
C2_14 C1_14 C4_14 F8_14 162.1(7) . . . . ?
O1_14 C1_14 C4_14 F7_14 163.9(6) . . . . ?
C3_14 C1_14 C4_14 F7_14 39.3(9) . . . . ?
C2_14 C1_14 C4_14 F7_14 -78.0(8) . . . . ?
O1_14 C1_14 C4_14 F9_14 -74.0(7) . . . . ?
C3_14 C1_14 C4_14 F9_14 161.5(6) . . . . ?
C2_14 C1_14 C4_14 F9_14 44.2(8) . . . . ?
O1_16 Al1 O1_15 C1_15 -173.3(10) . . . . ?
O1_13 Al1 O1_15 C1_15 -52.0(9) . . . . ?
O1_14 Al1 O1_15 C1_15 66.6(9) . . . . ?
O1_17 Al1 O1_15 C1_15 -173.3(18) . . . . ?
Al1 O1_15 C1_15 C4_15 121.5(8) . . . . ?
Al1 O1_15 C1_15 C2_15 -119.3(8) . . . . ?
Al1 O1_15 C1_15 C3_15 -0.1(12) . . . . ?
O1_15 C1_15 C2_15 F3_15 -43.6(7) . . . . ?
C4_15 C1_15 C2_15 F3_15 75.1(7) . . . . ?
C3_15 C1_15 C2_15 F3_15 -165.1(6) . . . . ?
O1_15 C1_15 C2_15 F2_15 77.4(7) . . . . ?
C4_15 C1_15 C2_15 F2_15 -163.9(6) . . . . ?
C3_15 C1_15 C2_15 F2_15 -44.1(8) . . . . ?
O1_15 C1_15 C2_15 F1_15 -162.7(5) . . . . ?
C4_15 C1_15 C2_15 F1_15 -44.0(8) . . . . ?
C3_15 C1_15 C2_15 F1_15 75.8(7) . . . . ?
O1_15 C1_15 C3_15 F6_15 -40.9(8) . . . . ?
C4_15 C1_15 C3_15 F6_15 -162.0(6) . . . . ?
C2_15 C1_15 C3_15 F6_15 78.2(7) . . . . ?
O1_15 C1_15 C3_15 F4_15 -162.4(6) . . . . ?
C4_15 C1_15 C3_15 F4_15 76.5(7) . . . . ?
C2_15 C1_15 C3_15 F4_15 -43.3(8) . . . . ?
O1_15 C1_15 C3_15 F5_15 78.4(7) . . . . ?
C4_15 C1_15 C3_15 F5_15 -42.8(8) . . . . ?
C2_15 C1_15 C3_15 F5_15 -162.6(6) . . . . ?
O1_15 C1_15 C4_15 F9_15 -46.4(8) . . . . ?
C2_15 C1_15 C4_15 F9_15 -164.6(6) . . . . ?
C3_15 C1_15 C4_15 F9_15 76.5(7) . . . . ?
O1_15 C1_15 C4_15 F8_15 73.2(7) . . . . ?
C2_15 C1_15 C4_15 F8_15 -45.0(8) . . . . ?
C3_15 C1_15 C4_15 F8_15 -163.9(6) . . . . ?
O1_15 C1_15 C4_15 F7_15 -167.0(6) . . . . ?
C2_15 C1_15 C4_15 F7_15 74.8(8) . . . . ?
C3_15 C1_15 C4_15 F7_15 -44.1(8) . . . . ?
O1_15 Al1 O1_16 C1_16 37(2) . . . . ?
O1_13 Al1 O1_16 C1_16 -81(2) . . . . ?
O1_14 Al1 O1_16 C1_16 161(2) . . . . ?
Al1 O1_16 C1_16 C4_16 41(2) . . . . ?
Al1 O1_16 C1_16 C2_16 159.7(19) . . . . ?
Al1 O1_16 C1_16 C3_16 -78(2) . . . . ?
O1_16 C1_16 C2_16 F2_16 29.1(19) . . . . ?
C4_16 C1_16 C2_16 F2_16 150.2(14) . . . . ?
C3_16 C1_16 C2_16 F2_16 -91.5(16) . . . . ?
O1_16 C1_16 C2_16 F1_16 167.7(12) . . . . ?
C4_16 C1_16 C2_16 F1_16 -71.2(15) . . . . ?
C3_16 C1_16 C2_16 F1_16 47.1(16) . . . . ?
O1_16 C1_16 C2_16 F3_16 -82.7(11) . . . . ?
C4_16 C1_16 C2_16 F3_16 38.4(12) . . . . ?
C3_16 C1_16 C2_16 F3_16 156.8(10) . . . . ?
O1_16 C1_16 C3_16 F5_16 24(2) . . . . ?
C4_16 C1_16 C3_16 F5_16 -98.1(16) . . . . ?
C2_16 C1_16 C3_16 F5_16 142.4(15) . . . . ?
O1_16 C1_16 C3_16 F4_16 175.6(12) . . . . ?
C4_16 C1_16 C3_16 F4_16 53.8(16) . . . . ?
C2_16 C1_16 C3_16 F4_16 -65.7(17) . . . . ?
O1_16 C1_16 C3_16 F6_16 -81.5(11) . . . . ?
C4_16 C1_16 C3_16 F6_16 156.7(9) . . . . ?
C2_16 C1_16 C3_16 F6_16 37.2(11) . . . . ?
O1_16 C1_16 C4_16 F8_16 21.8(17) . . . . ?
C2_16 C1_16 C4_16 F8_16 -96.1(14) . . . . ?
C3_16 C1_16 C4_16 F8_16 142.3(13) . . . . ?
O1_16 C1_16 C4_16 F7_16 170.2(12) . . . . ?
C2_16 C1_16 C4_16 F7_16 52.3(17) . . . . ?
C3_16 C1_16 C4_16 F7_16 -69.2(15) . . . . ?
O1_16 C1_16 C4_16 F9_16 -84.3(12) . . . . ?
C2_16 C1_16 C4_16 F9_16 157.8(10) . . . . ?
C3_16 C1_16 C4_16 F9_16 36.2(11) . . . . ?
O1_15 Al1 O1_17 C1_17 44(8) . . . . ?
O1_13 Al1 O1_17 C1_17 -72(8) . . . . ?
O1_14 Al1 O1_17 C1_17 166(7) . . . . ?
Al1 O1_17 C1_17 C2_17 120(7) . . . . ?
Al1 O1_17 C1_17 C3_17 -120(7) . . . . ?
Al1 O1_17 C1_17 C4_17 -2(8) . . . . ?
O1_17 C1_17 C2_17 F1_17 154(2) . . . . ?
C3_17 C1_17 C2_17 F1_17 32(3) . . . . ?
C4_17 C1_17 C2_17 F1_17 -83(2) . . . . ?
O1_17 C1_17 C2_17 F2_17 34(3) . . . . ?
C3_17 C1_17 C2_17 F2_17 -89(2) . . . . ?
C4_17 C1_17 C2_17 F2_17 156(2) . . . . ?
O1_17 C1_17 C2_17 F3_17 -87(2) . . . . ?
C3_17 C1_17 C2_17 F3_17 150(2) . . . . ?
C4_17 C1_17 C2_17 F3_17 35(2) . . . . ?
O1_17 C1_17 C3_17 F4_17 155(3) . . . . ?
C2_17 C1_17 C3_17 F4_17 -83(2) . . . . ?
C4_17 C1_17 C3_17 F4_17 34(2) . . . . ?
O1_17 C1_17 C3_17 F5_17 37(3) . . . . ?
C2_17 C1_17 C3_17 F5_17 159(2) . . . . ?
C4_17 C1_17 C3_17 F5_17 -84(2) . . . . ?
O1_17 C1_17 C3_17 F6_17 -82(2) . . . . ?
C2_17 C1_17 C3_17 F6_17 40(2) . . . . ?
C4_17 C1_17 C3_17 F6_17 156.5(19) . . . . ?
O1_17 C1_17 C4_17 F8_17 41(3) . . . . ?
C2_17 C1_17 C4_17 F8_17 -82(2) . . . . ?
C3_17 C1_17 C4_17 F8_17 162(2) . . . . ?
O1_17 C1_17 C4_17 F7_17 157(3) . . . . ?
C2_17 C1_17 C4_17 F7_17 34(2) . . . . ?
C3_17 C1_17 C4_17 F7_17 -82(2) . . . . ?
O1_17 C1_17 C4_17 F9_17 -79(3) . . . . ?
C2_17 C1_17 C4_17 F9_17 158(2) . . . . ?
C3_17 C1_17 C4_17 F9_17 42(2) . . . . ?
O1_21 Al2 O1_18 C1_18 -80.4(15) . . . . ?
O1_19 Al2 O1_18 C1_18 36.4(19) . . . . ?
O1_22 Al2 O1_18 C1_18 160.7(14) . . . . ?
Al2 O1_18 C1_18 C4_18 -168.8(13) . . . . ?
Al2 O1_18 C1_18 C3_18 71.9(16) . . . . ?
Al2 O1_18 C1_18 C2_18 -48.7(17) . . . . ?
O1_18 C1_18 C2_18 F3_18 -41.5(10) . . . . ?
C4_18 C1_18 C2_18 F3_18 78.5(9) . . . . ?
C3_18 C1_18 C2_18 F3_18 -162.7(7) . . . . ?
O1_18 C1_18 C2_18 F2_18 77.1(9) . . . . ?
C4_18 C1_18 C2_18 F2_18 -162.9(7) . . . . ?
C3_18 C1_18 C2_18 F2_18 -44.1(9) . . . . ?
O1_18 C1_18 C2_18 F1_18 -163.2(8) . . . . ?
C4_18 C1_18 C2_18 F1_18 -43.1(10) . . . . ?
C3_18 C1_18 C2_18 F1_18 75.7(9) . . . . ?
O1_18 C1_18 C3_18 F6_18 -44.5(10) . . . . ?
C4_18 C1_18 C3_18 F6_18 -164.0(8) . . . . ?
C2_18 C1_18 C3_18 F6_18 77.0(9) . . . . ?
O1_18 C1_18 C3_18 F4_18 -165.2(8) . . . . ?
C4_18 C1_18 C3_18 F4_18 75.3(10) . . . . ?
C2_18 C1_18 C3_18 F4_18 -43.7(10) . . . . ?
O1_18 C1_18 C3_18 F5_18 74.8(9) . . . . ?
C4_18 C1_18 C3_18 F5_18 -44.7(9) . . . . ?
C2_18 C1_18 C3_18 F5_18 -163.6(7) . . . . ?
O1_18 C1_18 C4_18 F9_18 -46.5(9) . . . . ?
C3_18 C1_18 C4_18 F9_18 73.6(9) . . . . ?
C2_18 C1_18 C4_18 F9_18 -167.4(7) . . . . ?
O1_18 C1_18 C4_18 F8_18 72.6(10) . . . . ?
C3_18 C1_18 C4_18 F8_18 -167.3(8) . . . . ?
C2_18 C1_18 C4_18 F8_18 -48.3(10) . . . . ?
O1_18 C1_18 C4_18 F7_18 -166.6(8) . . . . ?
C3_18 C1_18 C4_18 F7_18 -46.6(10) . . . . ?
C2_18 C1_18 C4_18 F7_18 72.4(10) . . . . ?
O1_21 Al2 O1_34 C1_34 -82(6) . . . . ?
O1_23 Al2 O1_34 C1_34 159(6) . . . . ?
O1_20 Al2 O1_34 C1_34 40(6) . . . . ?
Al2 O1_34 C1_34 C3_34 23(6) . . . . ?
Al2 O1_34 C1_34 C2_34 -101(6) . . . . ?
Al2 O1_34 C1_34 C4_34 143(5) . . . . ?
O1_34 C1_34 C2_34 F1_34 171(3) . . . . ?
C3_34 C1_34 C2_34 F1_34 48(3) . . . . ?
C4_34 C1_34 C2_34 F1_34 -74(3) . . . . ?
O1_34 C1_34 C2_34 F2_34 44(3) . . . . ?
C3_34 C1_34 C2_34 F2_34 -80(3) . . . . ?
C4_34 C1_34 C2_34 F2_34 158(3) . . . . ?
O1_34 C1_34 C2_34 F3_34 -74(3) . . . . ?
C3_34 C1_34 C2_34 F3_34 162(3) . . . . ?
C4_34 C1_34 C2_34 F3_34 40(3) . . . . ?
O1_34 C1_34 C3_34 F4_34 171(3) . . . . ?
C2_34 C1_34 C3_34 F4_34 -67(3) . . . . ?
C4_34 C1_34 C3_34 F4_34 54(3) . . . . ?
O1_34 C1_34 C3_34 F6_34 -67(3) . . . . ?
C2_34 C1_34 C3_34 F6_34 55(3) . . . . ?
C4_34 C1_34 C3_34 F6_34 176(3) . . . . ?
O1_34 C1_34 C3_34 F5_34 54(4) . . . . ?
C2_34 C1_34 C3_34 F5_34 176(3) . . . . ?
C4_34 C1_34 C3_34 F5_34 -63(3) . . . . ?
O1_34 C1_34 C4_34 F7_34 157(3) . . . . ?
C3_34 C1_34 C4_34 F7_34 -82(3) . . . . ?
C2_34 C1_34 C4_34 F7_34 41(3) . . . . ?
O1_34 C1_34 C4_34 F9_34 -79(3) . . . . ?
C3_34 C1_34 C4_34 F9_34 42(3) . . . . ?
C2_34 C1_34 C4_34 F9_34 164(2) . . . . ?
O1_34 C1_34 C4_34 F8_34 36(3) . . . . ?
C3_34 C1_34 C4_34 F8_34 157(2) . . . . ?
C2_34 C1_34 C4_34 F8_34 -80(3) . . . . ?
O1_21 Al2 O1_19 C1_19 -41(5) . . . . ?
O1_18 Al2 O1_19 C1_19 -162(4) . . . . ?
O1_22 Al2 O1_19 C1_19 77(5) . . . . ?
Al2 O1_19 C1_19 C3_19 -152(4) . . . . ?
Al2 O1_19 C1_19 C4_19 -32(5) . . . . ?
Al2 O1_19 C1_19 C2_19 88(4) . . . . ?
O1_19 C1_19 C2_19 F3_19 -46.2(18) . . . . ?
C3_19 C1_19 C2_19 F3_19 -165.0(14) . . . . ?
C4_19 C1_19 C2_19 F3_19 76.0(17) . . . . ?
O1_19 C1_19 C2_19 F2_19 72.4(16) . . . . ?
C3_19 C1_19 C2_19 F2_19 -46.5(17) . . . . ?
C4_19 C1_19 C2_19 F2_19 -165.4(13) . . . . ?
O1_19 C1_19 C2_19 F1_19 -166.8(16) . . . . ?
C3_19 C1_19 C2_19 F1_19 74.3(17) . . . . ?
C4_19 C1_19 C2_19 F1_19 -44.6(17) . . . . ?
O1_19 C1_19 C3_19 F4_19 -157.4(18) . . . . ?
C4_19 C1_19 C3_19 F4_19 81.1(17) . . . . ?
C2_19 C1_19 C3_19 F4_19 -38(2) . . . . ?
O1_19 C1_19 C3_19 F6_19 -40.7(19) . . . . ?
C4_19 C1_19 C3_19 F6_19 -162.3(14) . . . . ?
C2_19 C1_19 C3_19 F6_19 79.2(17) . . . . ?
O1_19 C1_19 C3_19 F5_19 74.7(19) . . . . ?
C4_19 C1_19 C3_19 F5_19 -46.8(18) . . . . ?
C2_19 C1_19 C3_19 F5_19 -165.4(14) . . . . ?
O1_19 C1_19 C4_19 F9_19 -42(2) . . . . ?
C3_19 C1_19 C4_19 F9_19 77.4(17) . . . . ?
C2_19 C1_19 C4_19 F9_19 -163.5(14) . . . . ?
O1_19 C1_19 C4_19 F7_19 -162.3(19) . . . . ?
C3_19 C1_19 C4_19 F7_19 -42.8(19) . . . . ?
C2_19 C1_19 C4_19 F7_19 76.3(18) . . . . ?
O1_19 C1_19 C4_19 F8_19 77.8(17) . . . . ?
C3_19 C1_19 C4_19 F8_19 -162.7(13) . . . . ?
C2_19 C1_19 C4_19 F8_19 -43.5(17) . . . . ?
O1_21 Al2 O1_20 C1_20 -36(5) . . . . ?
O1_34 Al2 O1_20 C1_20 -160(4) . . . . ?
O1_23 Al2 O1_20 C1_20 85(5) . . . . ?
Al2 O1_20 C1_20 C3_20 -172(4) . . . . ?
Al2 O1_20 C1_20 C2_20 69(5) . . . . ?
Al2 O1_20 C1_20 C4_20 -51(5) . . . . ?
O1_20 C1_20 C2_20 F3_20 -80.4(17) . . . . ?
C3_20 C1_20 C2_20 F3_20 161.4(14) . . . . ?
C4_20 C1_20 C2_20 F3_20 40.4(18) . . . . ?
O1_20 C1_20 C2_20 F2_20 39.2(18) . . . . ?
C3_20 C1_20 C2_20 F2_20 -79.0(17) . . . . ?
C4_20 C1_20 C2_20 F2_20 160.0(14) . . . . ?
O1_20 C1_20 C2_20 F1_20 156.2(17) . . . . ?
C3_20 C1_20 C2_20 F1_20 38.0(19) . . . . ?
C4_20 C1_20 C2_20 F1_20 -83.0(17) . . . . ?
O1_20 C1_20 C3_20 F4_20 163.1(18) . . . . ?
C2_20 C1_20 C3_20 F4_20 -76.7(18) . . . . ?
C4_20 C1_20 C3_20 F4_20 43.0(19) . . . . ?
O1_20 C1_20 C3_20 F6_20 -73.5(19) . . . . ?
C2_20 C1_20 C3_20 F6_20 46.7(18) . . . . ?
C4_20 C1_20 C3_20 F6_20 166.4(14) . . . . ?
O1_20 C1_20 C3_20 F5_20 43(2) . . . . ?
C2_20 C1_20 C3_20 F5_20 163.5(15) . . . . ?
C4_20 C1_20 C3_20 F5_20 -76.8(18) . . . . ?
O1_20 C1_20 C4_20 F9_20 -75.1(18) . . . . ?
C3_20 C1_20 C4_20 F9_20 43.3(19) . . . . ?
C2_20 C1_20 C4_20 F9_20 163.8(14) . . . . ?
O1_20 C1_20 C4_20 F7_20 164.2(18) . . . . ?
C3_20 C1_20 C4_20 F7_20 -77.4(19) . . . . ?
C2_20 C1_20 C4_20 F7_20 43(2) . . . . ?
O1_20 C1_20 C4_20 F8_20 43.4(19) . . . . ?
C3_20 C1_20 C4_20 F8_20 161.9(15) . . . . ?
C2_20 C1_20 C4_20 F8_20 -77.6(17) . . . . ?
O1_34 Al2 O1_21 C1_21 -76.0(17) . . . . ?
O1_19 Al2 O1_21 C1_21 160.0(14) . . . . ?
O1_23 Al2 O1_21 C1_21 38(2) . . . . ?
O1_20 Al2 O1_21 C1_21 158.0(15) . . . . ?
O1_18 Al2 O1_21 C1_21 -82.9(9) . . . . ?
O1_22 Al2 O1_21 C1_21 37.6(10) . . . . ?
Al2 O1_21 C1_21 C4_21 -176.2(7) . . . . ?
Al2 O1_21 C1_21 C3_21 64.2(11) . . . . ?
Al2 O1_21 C1_21 C2_21 -56.9(11) . . . . ?
O1_21 C1_21 C2_21 F3_21 -39.5(8) . . . . ?
C4_21 C1_21 C2_21 F3_21 79.2(7) . . . . ?
C3_21 C1_21 C2_21 F3_21 -162.1(6) . . . . ?
O1_21 C1_21 C2_21 F2_21 78.9(8) . . . . ?
C4_21 C1_21 C2_21 F2_21 -162.5(6) . . . . ?
C3_21 C1_21 C2_21 F2_21 -43.7(8) . . . . ?
O1_21 C1_21 C2_21 F1_21 -160.5(6) . . . . ?
C4_21 C1_21 C2_21 F1_21 -41.9(8) . . . . ?
C3_21 C1_21 C2_21 F1_21 76.9(8) . . . . ?
O1_21 C1_21 C3_21 F4_21 -165.8(6) . . . . ?
C4_21 C1_21 C3_21 F4_21 75.7(8) . . . . ?
C2_21 C1_21 C3_21 F4_21 -42.8(8) . . . . ?
O1_21 C1_21 C3_21 F5_21 72.8(7) . . . . ?
C4_21 C1_21 C3_21 F5_21 -45.7(8) . . . . ?
C2_21 C1_21 C3_21 F5_21 -164.1(6) . . . . ?
O1_21 C1_21 C3_21 F6_21 -44.9(8) . . . . ?
C4_21 C1_21 C3_21 F6_21 -163.4(6) . . . . ?
C2_21 C1_21 C3_21 F6_21 78.2(7) . . . . ?
O1_21 C1_21 C4_21 F7_21 -166.2(6) . . . . ?
C3_21 C1_21 C4_21 F7_21 -45.5(8) . . . . ?
C2_21 C1_21 C4_21 F7_21 72.6(8) . . . . ?
O1_21 C1_21 C4_21 F8_21 72.8(7) . . . . ?
C3_21 C1_21 C4_21 F8_21 -166.5(6) . . . . ?
C2_21 C1_21 C4_21 F8_21 -48.4(7) . . . . ?
O1_21 C1_21 C4_21 F9_21 -45.5(8) . . . . ?
C3_21 C1_21 C4_21 F9_21 75.2(7) . . . . ?
C2_21 C1_21 C4_21 F9_21 -166.7(6) . . . . ?
O1_21 Al2 O1_22 C1_22 -160.7(14) . . . . ?
O1_19 Al2 O1_22 C1_22 81.9(19) . . . . ?
O1_18 Al2 O1_22 C1_22 -37.9(17) . . . . ?
Al2 O1_22 C1_22 C2_22 77.5(16) . . . . ?
Al2 O1_22 C1_22 C3_22 -44.7(18) . . . . ?
Al2 O1_22 C1_22 C4_22 -164.0(13) . . . . ?
O1_22 C1_22 C2_22 F2_22 38.0(11) . . . . ?
C3_22 C1_22 C2_22 F2_22 162.0(8) . . . . ?
C4_22 C1_22 C2_22 F2_22 -79.3(10) . . . . ?
O1_22 C1_22 C2_22 F1_22 165.0(8) . . . . ?
C3_22 C1_22 C2_22 F1_22 -71.0(10) . . . . ?
C4_22 C1_22 C2_22 F1_22 47.7(10) . . . . ?
O1_22 C1_22 C2_22 F3_22 -78.8(9) . . . . ?
C3_22 C1_22 C2_22 F3_22 45.2(9) . . . . ?
C4_22 C1_22 C2_22 F3_22 163.9(7) . . . . ?
O1_22 C1_22 C3_22 F5_22 44.0(11) . . . . ?
C2_22 C1_22 C3_22 F5_22 -79.5(9) . . . . ?
C4_22 C1_22 C3_22 F5_22 162.0(8) . . . . ?
O1_22 C1_22 C3_22 F4_22 169.7(8) . . . . ?
C2_22 C1_22 C3_22 F4_22 46.1(10) . . . . ?
C4_22 C1_22 C3_22 F4_22 -72.4(10) . . . . ?
O1_22 C1_22 C3_22 F6_22 -73.4(10) . . . . ?
C2_22 C1_22 C3_22 F6_22 163.1(7) . . . . ?
C4_22 C1_22 C3_22 F6_22 44.6(9) . . . . ?
O1_22 C1_22 C4_22 F8_22 42.5(11) . . . . ?
C2_22 C1_22 C4_22 F8_22 162.6(8) . . . . ?
C3_22 C1_22 C4_22 F8_22 -78.8(10) . . . . ?
O1_22 C1_22 C4_22 F7_22 168.2(9) . . . . ?
C2_22 C1_22 C4_22 F7_22 -71.6(10) . . . . ?
C3_22 C1_22 C4_22 F7_22 47.0(11) . . . . ?
O1_22 C1_22 C4_22 F9_22 -74.5(10) . . . . ?
C2_22 C1_22 C4_22 F9_22 45.7(10) . . . . ?
C3_22 C1_22 C4_22 F9_22 164.3(7) . . . . ?
O1_21 Al2 O1_23 C1_23 -159(7) . . . . ?
O1_34 Al2 O1_23 C1_23 -40(8) . . . . ?
O1_20 Al2 O1_23 C1_23 81(7) . . . . ?
Al2 O1_23 C1_23 C4_23 159(7) . . . . ?
Al2 O1_23 C1_23 C2_23 39(8) . . . . ?
Al2 O1_23 C1_23 C3_23 -82(7) . . . . ?
O1_23 C1_23 C2_23 F2_23 43(3) . . . . ?
C4_23 C1_23 C2_23 F2_23 -78(2) . . . . ?
C3_23 C1_23 C2_23 F2_23 166(2) . . . . ?
O1_23 C1_23 C2_23 F1_23 156(3) . . . . ?
C4_23 C1_23 C2_23 F1_23 35(2) . . . . ?
C3_23 C1_23 C2_23 F1_23 -81(2) . . . . ?
O1_23 C1_23 C2_23 F3_23 -81(3) . . . . ?
C4_23 C1_23 C2_23 F3_23 158(2) . . . . ?
C3_23 C1_23 C2_23 F3_23 42(2) . . . . ?
O1_23 C1_23 C3_23 F5_23 42(3) . . . . ?
C4_23 C1_23 C3_23 F5_23 163(2) . . . . ?
C2_23 C1_23 C3_23 F5_23 -81(2) . . . . ?
O1_23 C1_23 C3_23 F4_23 155(3) . . . . ?
C4_23 C1_23 C3_23 F4_23 -85(2) . . . . ?
C2_23 C1_23 C3_23 F4_23 31(2) . . . . ?
O1_23 C1_23 C3_23 F6_23 -84(3) . . . . ?
C4_23 C1_23 C3_23 F6_23 37(2) . . . . ?
C2_23 C1_23 C3_23 F6_23 153(2) . . . . ?
O1_23 C1_23 C4_23 F8_23 47(3) . . . . ?
C2_23 C1_23 C4_23 F8_23 169(2) . . . . ?
C3_23 C1_23 C4_23 F8_23 -75(2) . . . . ?
O1_23 C1_23 C4_23 F7_23 161(3) . . . . ?
C2_23 C1_23 C4_23 F7_23 -76(2) . . . . ?
C3_23 C1_23 C4_23 F7_23 40(2) . . . . ?
O1_23 C1_23 C4_23 F9_23 -81(3) . . . . ?
C2_23 C1_23 C4_23 F9_23 41(2) . . . . ?
C3_23 C1_23 C4_23 F9_23 158(2) . . . . ?
O1_27 Al3 O1_24 C1_24 157.5(8) . . . . ?
O1_26 Al3 O1_24 C1_24 -82.0(8) . . . . ?
O1_25 Al3 O1_24 C1_24 35.3(8) . . . . ?
Al3 O1_24 C1_24 C4_24 145.9(7) . . . . ?
Al3 O1_24 C1_24 C2_24 -93.1(8) . . . . ?
Al3 O1_24 C1_24 C3_24 26.3(10) . . . . ?
O1_24 C1_24 C2_24 F2_24 42.8(7) . . . . ?
C4_24 C1_24 C2_24 F2_24 162.3(5) . . . . ?
C3_24 C1_24 C2_24 F2_24 -78.8(6) . . . . ?
O1_24 C1_24 C2_24 F3_24 -75.8(7) . . . . ?
C4_24 C1_24 C2_24 F3_24 43.7(7) . . . . ?
C3_24 C1_24 C2_24 F3_24 162.6(5) . . . . ?
O1_24 C1_24 C2_24 F1_24 163.8(5) . . . . ?
C4_24 C1_24 C2_24 F1_24 -76.7(7) . . . . ?
C3_24 C1_24 C2_24 F1_24 42.2(7) . . . . ?
O1_24 C1_24 C3_24 F5_24 39.8(7) . . . . ?
C4_24 C1_24 C3_24 F5_24 -79.1(6) . . . . ?
C2_24 C1_24 C3_24 F5_24 161.1(5) . . . . ?
O1_24 C1_24 C3_24 F6_24 -79.4(6) . . . . ?
C4_24 C1_24 C3_24 F6_24 161.7(5) . . . . ?
C2_24 C1_24 C3_24 F6_24 41.9(6) . . . . ?
O1_24 C1_24 C3_24 F4_24 158.7(5) . . . . ?
C4_24 C1_24 C3_24 F4_24 39.8(7) . . . . ?
C2_24 C1_24 C3_24 F4_24 -79.9(7) . . . . ?
O1_24 C1_24 C4_24 F8_24 45.0(7) . . . . ?
C2_24 C1_24 C4_24 F8_24 -76.2(7) . . . . ?
C3_24 C1_24 C4_24 F8_24 165.9(5) . . . . ?
O1_24 C1_24 C4_24 F7_24 165.5(6) . . . . ?
C2_24 C1_24 C4_24 F7_24 44.3(8) . . . . ?
C3_24 C1_24 C4_24 F7_24 -73.6(7) . . . . ?
O1_24 C1_24 C4_24 F9_24 -75.3(7) . . . . ?
C2_24 C1_24 C4_24 F9_24 163.5(5) . . . . ?
C3_24 C1_24 C4_24 F9_24 45.6(7) . . . . ?
O1_27 Al3 O1_25 C1_25 81.2(9) . . . . ?
O1_26 Al3 O1_25 C1_25 -38.1(9) . . . . ?
O1_24 Al3 O1_25 C1_25 -158.8(8) . . . . ?
Al3 O1_25 C1_25 C2_25 -172.5(7) . . . . ?
Al3 O1_25 C1_25 C3_25 -51.2(10) . . . . ?
Al3 O1_25 C1_25 C4_25 68.0(10) . . . . ?
O1_25 C1_25 C2_25 F2_25 42.7(8) . . . . ?
C3_25 C1_25 C2_25 F2_25 -79.3(7) . . . . ?
C4_25 C1_25 C2_25 F2_25 163.0(6) . . . . ?
O1_25 C1_25 C2_25 F1_25 164.1(6) . . . . ?
C3_25 C1_25 C2_25 F1_25 42.1(9) . . . . ?
C4_25 C1_25 C2_25 F1_25 -75.6(8) . . . . ?
O1_25 C1_25 C2_25 F3_25 -75.8(7) . . . . ?
C3_25 C1_25 C2_25 F3_25 162.3(6) . . . . ?
C4_25 C1_25 C2_25 F3_25 44.6(8) . . . . ?
O1_25 C1_25 C3_25 F5_25 43.1(8) . . . . ?
C2_25 C1_25 C3_25 F5_25 163.5(6) . . . . ?
C4_25 C1_25 C3_25 F5_25 -77.9(7) . . . . ?
O1_25 C1_25 C3_25 F4_25 166.3(6) . . . . ?
C2_25 C1_25 C3_25 F4_25 -73.3(8) . . . . ?
C4_25 C1_25 C3_25 F4_25 45.3(8) . . . . ?
O1_25 C1_25 C3_25 F6_25 -75.7(7) . . . . ?
C2_25 C1_25 C3_25 F6_25 44.7(8) . . . . ?
C4_25 C1_25 C3_25 F6_25 163.3(6) . . . . ?
O1_25 C1_25 C4_25 F8_25 38.4(8) . . . . ?
C2_25 C1_25 C4_25 F8_25 -80.8(7) . . . . ?
C3_25 C1_25 C4_25 F8_25 159.8(6) . . . . ?
O1_25 C1_25 C4_25 F9_25 -81.1(7) . . . . ?
C2_25 C1_25 C4_25 F9_25 159.8(6) . . . . ?
C3_25 C1_25 C4_25 F9_25 40.4(7) . . . . ?
O1_25 C1_25 C4_25 F7_25 159.6(6) . . . . ?
C2_25 C1_25 C4_25 F7_25 40.5(8) . . . . ?
C3_25 C1_25 C4_25 F7_25 -79.0(7) . . . . ?
O1_27 Al3 O1_26 C1_26 42.3(8) . . . . ?
O1_24 Al3 O1_26 C1_26 -78.3(8) . . . . ?
O1_25 Al3 O1_26 C1_26 163.8(7) . . . . ?
Al3 O1_26 C1_26 C3_26 -69.4(9) . . . . ?
Al3 O1_26 C1_26 C2_26 169.7(6) . . . . ?
Al3 O1_26 C1_26 C4_26 50.9(9) . . . . ?
O1_26 C1_26 C2_26 F3_26 -44.8(7) . . . . ?
C3_26 C1_26 C2_26 F3_26 -166.0(5) . . . . ?
C4_26 C1_26 C2_26 F3_26 74.5(7) . . . . ?
O1_26 C1_26 C2_26 F2_26 74.2(6) . . . . ?
C3_26 C1_26 C2_26 F2_26 -47.0(7) . . . . ?
C4_26 C1_26 C2_26 F2_26 -166.4(5) . . . . ?
O1_26 C1_26 C2_26 F1_26 -165.5(5) . . . . ?
C3_26 C1_26 C2_26 F1_26 73.3(7) . . . . ?
C4_26 C1_26 C2_26 F1_26 -46.1(6) . . . . ?
O1_26 C1_26 C3_26 F5_26 75.6(7) . . . . ?
C2_26 C1_26 C3_26 F5_26 -165.2(5) . . . . ?
C4_26 C1_26 C3_26 F5_26 -45.5(7) . . . . ?
O1_26 C1_26 C3_26 F4_26 -162.8(5) . . . . ?
C2_26 C1_26 C3_26 F4_26 -43.6(7) . . . . ?
C4_26 C1_26 C3_26 F4_26 76.1(7) . . . . ?
O1_26 C1_26 C3_26 F6_26 -43.1(7) . . . . ?
C2_26 C1_26 C3_26 F6_26 76.2(6) . . . . ?
C4_26 C1_26 C3_26 F6_26 -164.1(5) . . . . ?
O1_26 C1_26 C4_26 F9_26 -45.2(7) . . . . ?
C3_26 C1_26 C4_26 F9_26 76.4(6) . . . . ?
C2_26 C1_26 C4_26 F9_26 -163.1(5) . . . . ?
O1_26 C1_26 C4_26 F7_26 -165.9(5) . . . . ?
C3_26 C1_26 C4_26 F7_26 -44.3(7) . . . . ?
C2_26 C1_26 C4_26 F7_26 76.1(6) . . . . ?
O1_26 C1_26 C4_26 F8_26 74.4(6) . . . . ?
C3_26 C1_26 C4_26 F8_26 -164.0(5) . . . . ?
C2_26 C1_26 C4_26 F8_26 -43.5(7) . . . . ?
O1_26 Al3 O1_27 C1_27 -158.5(9) . . . . ?
O1_24 Al3 O1_27 C1_27 -36.1(10) . . . . ?
O1_25 Al3 O1_27 C1_27 83.4(9) . . . . ?
Al3 O1_27 C1_27 C4_27 -50.0(11) . . . . ?
Al3 O1_27 C1_27 C2_27 71.1(11) . . . . ?
Al3 O1_27 C1_27 C3_27 -169.6(7) . . . . ?
O1_27 C1_27 C2_27 F2_27 40.7(8) . . . . ?
C4_27 C1_27 C2_27 F2_27 163.0(6) . . . . ?
C3_27 C1_27 C2_27 F2_27 -77.6(7) . . . . ?
O1_27 C1_27 C2_27 F1_27 161.7(6) . . . . ?
C4_27 C1_27 C2_27 F1_27 -76.0(8) . . . . ?
C3_27 C1_27 C2_27 F1_27 43.5(8) . . . . ?
O1_27 C1_27 C2_27 F3_27 -79.2(7) . . . . ?
C4_27 C1_27 C2_27 F3_27 43.1(8) . . . . ?
C3_27 C1_27 C2_27 F3_27 162.5(6) . . . . ?
O1_27 C1_27 C3_27 F5_27 42.4(7) . . . . ?
C4_27 C1_27 C3_27 F5_27 -78.4(7) . . . . ?
C2_27 C1_27 C3_27 F5_27 162.2(6) . . . . ?
O1_27 C1_27 C3_27 F6_27 -77.3(7) . . . . ?
C4_27 C1_27 C3_27 F6_27 161.9(6) . . . . ?
C2_27 C1_27 C3_27 F6_27 42.5(8) . . . . ?
O1_27 C1_27 C3_27 F4_27 163.7(6) . . . . ?
C4_27 C1_27 C3_27 F4_27 42.9(8) . . . . ?
C2_27 C1_27 C3_27 F4_27 -76.5(7) . . . . ?
O1_27 C1_27 C4_27 F8_27 43.3(8) . . . . ?
C2_27 C1_27 C4_27 F8_27 -78.4(7) . . . . ?
C3_27 C1_27 C4_27 F8_27 162.0(6) . . . . ?
O1_27 C1_27 C4_27 F7_27 164.5(6) . . . . ?
C2_27 C1_27 C4_27 F7_27 42.8(8) . . . . ?
C3_27 C1_27 C4_27 F7_27 -76.8(7) . . . . ?
O1_27 C1_27 C4_27 F9_27 -75.0(7) . . . . ?
C2_27 C1_27 C4_27 F9_27 163.2(6) . . . . ?
C3_27 C1_27 C4_27 F9_27 43.6(7) . . . . ?
O1_33 Al4 O1_28 C1_28 -138.2(10) . . . . ?
O1_29 Al4 O1_28 C1_28 92.1(9) . . . . ?
O1_30 Al4 O1_28 C1_28 -21.3(10) . . . . ?
O1_31 Al4 O1_28 C1_28 -34.2(12) . . . . ?
O1_32 Al4 O1_28 C1_28 -154.0(9) . . . . ?
Al4 O1_28 C1_28 C3_28 -177.4(7) . . . . ?
Al4 O1_28 C1_28 C2_28 62.9(10) . . . . ?
Al4 O1_28 C1_28 C4_28 -57.0(10) . . . . ?
O1_28 C1_28 C2_28 F2_28 39.6(8) . . . . ?
C3_28 C1_28 C2_28 F2_28 -79.4(7) . . . . ?
C4_28 C1_28 C2_28 F2_28 160.7(6) . . . . ?
O1_28 C1_28 C2_28 F3_28 -80.0(7) . . . . ?
C3_28 C1_28 C2_28 F3_28 161.0(6) . . . . ?
C4_28 C1_28 C2_28 F3_28 41.1(7) . . . . ?
O1_28 C1_28 C2_28 F1_28 159.0(6) . . . . ?
C3_28 C1_28 C2_28 F1_28 39.9(8) . . . . ?
C4_28 C1_28 C2_28 F1_28 -80.0(7) . . . . ?
O1_28 C1_28 C3_28 F4_28 41.8(8) . . . . ?
C2_28 C1_28 C3_28 F4_28 162.5(6) . . . . ?
C4_28 C1_28 C3_28 F4_28 -78.7(8) . . . . ?
O1_28 C1_28 C3_28 F6_28 162.9(6) . . . . ?
C2_28 C1_28 C3_28 F6_28 -76.4(7) . . . . ?
C4_28 C1_28 C3_28 F6_28 42.4(8) . . . . ?
O1_28 C1_28 C3_28 F5_28 -78.0(7) . . . . ?
C2_28 C1_28 C3_28 F5_28 42.8(8) . . . . ?
C4_28 C1_28 C3_28 F5_28 161.5(6) . . . . ?
O1_28 C1_28 C4_28 F7_28 166.6(6) . . . . ?
C3_28 C1_28 C4_28 F7_28 -74.2(8) . . . . ?
C2_28 C1_28 C4_28 F7_28 45.1(8) . . . . ?
O1_28 C1_28 C4_28 F8_28 44.4(8) . . . . ?
C3_28 C1_28 C4_28 F8_28 163.6(6) . . . . ?
C2_28 C1_28 C4_28 F8_28 -77.1(7) . . . . ?
O1_28 C1_28 C4_28 F9_28 -73.3(7) . . . . ?
C3_28 C1_28 C4_28 F9_28 45.9(8) . . . . ?
C2_28 C1_28 C4_28 F9_28 165.3(5) . . . . ?
O1_33 Al4 O1_29 C1_29 -61(2) . . . . ?
O1_28 Al4 O1_29 C1_29 66(2) . . . . ?
O1_30 Al4 O1_29 C1_29 -176.7(19) . . . . ?
O1_31 Al4 O1_29 C1_29 -173(2) . . . . ?
O1_32 Al4 O1_29 C1_29 -49(2) . . . . ?
Al4 O1_29 C1_29 C3_29 -14(2) . . . . ?
Al4 O1_29 C1_29 C4_29 108.4(18) . . . . ?
Al4 O1_29 C1_29 C2_29 -134.1(18) . . . . ?
O1_29 C1_29 C2_29 F1_29 -164.0(7) . . . . ?
C3_29 C1_29 C2_29 F1_29 74.6(9) . . . . ?
C4_29 C1_29 C2_29 F1_29 -45.6(9) . . . . ?
O1_29 C1_29 C2_29 F3_29 -44.0(9) . . . . ?
C3_29 C1_29 C2_29 F3_29 -165.4(7) . . . . ?
C4_29 C1_29 C2_29 F3_29 74.4(8) . . . . ?
O1_29 C1_29 C2_29 F2_29 75.4(8) . . . . ?
C3_29 C1_29 C2_29 F2_29 -46.0(8) . . . . ?
C4_29 C1_29 C2_29 F2_29 -166.2(6) . . . . ?
O1_29 C1_29 C3_29 F5_29 77.7(9) . . . . ?
C4_29 C1_29 C3_29 F5_29 -44.9(9) . . . . ?
C2_29 C1_29 C3_29 F5_29 -164.1(7) . . . . ?
O1_29 C1_29 C3_29 F6_29 -40.3(9) . . . . ?
C4_29 C1_29 C3_29 F6_29 -162.8(7) . . . . ?
C2_29 C1_29 C3_29 F6_29 77.9(8) . . . . ?
O1_29 C1_29 C3_29 F4_29 -161.1(7) . . . . ?
C4_29 C1_29 C3_29 F4_29 76.4(8) . . . . ?
C2_29 C1_29 C3_29 F4_29 -42.8(9) . . . . ?
O1_29 C1_29 C4_29 F9_29 -47.1(9) . . . . ?
C3_29 C1_29 C4_29 F9_29 76.6(8) . . . . ?
C2_29 C1_29 C4_29 F9_29 -163.5(6) . . . . ?
O1_29 C1_29 C4_29 F7_29 -166.9(7) . . . . ?
C3_29 C1_29 C4_29 F7_29 -43.2(8) . . . . ?
C2_29 C1_29 C4_29 F7_29 76.7(8) . . . . ?
O1_29 C1_29 C4_29 F8_29 70.6(8) . . . . ?
C3_29 C1_29 C4_29 F8_29 -165.6(6) . . . . ?
C2_29 C1_29 C4_29 F8_29 -45.8(8) . . . . ?
O1_29 Al4 O1_30 C1_30 74(2) . . . . ?
O1_28 Al4 O1_30 C1_30 -166.5(18) . . . . ?
O1_32 Al4 O1_30 C1_30 -43(2) . . . . ?
Al4 O1_30 C1_30 C3_30 -39(2) . . . . ?
Al4 O1_30 C1_30 C2_30 -160.4(16) . . . . ?
Al4 O1_30 C1_30 C4_30 82(2) . . . . ?
O1_30 C1_30 C2_30 F1_30 166.4(11) . . . . ?
C3_30 C1_30 C2_30 F1_30 43.7(13) . . . . ?
C4_30 C1_30 C2_30 F1_30 -75.4(13) . . . . ?
O1_30 C1_30 C2_30 F3_30 -71.6(12) . . . . ?
C3_30 C1_30 C2_30 F3_30 165.6(9) . . . . ?
C4_30 C1_30 C2_30 F3_30 46.5(13) . . . . ?
O1_30 C1_30 C2_30 F2_30 46.9(13) . . . . ?
C3_30 C1_30 C2_30 F2_30 -75.9(13) . . . . ?
C4_30 C1_30 C2_30 F2_30 165.0(10) . . . . ?
O1_30 C1_30 C3_30 F6_30 -73.7(13) . . . . ?
C2_30 C1_30 C3_30 F6_30 46.2(13) . . . . ?
C4_30 C1_30 C3_30 F6_30 165.3(10) . . . . ?
O1_30 C1_30 C3_30 F5_30 44.3(14) . . . . ?
C2_30 C1_30 C3_30 F5_30 164.2(11) . . . . ?
C4_30 C1_30 C3_30 F5_30 -76.7(13) . . . . ?
O1_30 C1_30 C3_30 F4_30 165.9(11) . . . . ?
C2_30 C1_30 C3_30 F4_30 -74.2(12) . . . . ?
C4_30 C1_30 C3_30 F4_30 44.8(13) . . . . ?
O1_30 C1_30 C4_30 F9_30 -79.7(14) . . . . ?
C3_30 C1_30 C4_30 F9_30 43.5(15) . . . . ?
C2_30 C1_30 C4_30 F9_30 162.9(12) . . . . ?
O1_30 C1_30 C4_30 F8_30 42.0(15) . . . . ?
C3_30 C1_30 C4_30 F8_30 165.2(12) . . . . ?
C2_30 C1_30 C4_30 F8_30 -75.4(14) . . . . ?
O1_30 C1_30 C4_30 F7_30 160.7(11) . . . . ?
C3_30 C1_30 C4_30 F7_30 -76.1(12) . . . . ?
C2_30 C1_30 C4_30 F7_30 43.3(13) . . . . ?
O1_33 Al4 O1_31 C1_31 -80(3) . . . . ?
O1_29 Al4 O1_31 C1_31 42(3) . . . . ?
O1_28 Al4 O1_31 C1_31 167(3) . . . . ?
Al4 O1_31 C1_31 C3_31 39(3) . . . . ?
Al4 O1_31 C1_31 C2_31 -83(3) . . . . ?
Al4 O1_31 C1_31 C4_31 158(3) . . . . ?
O1_31 C1_31 C2_31 F1_31 -161.2(17) . . . . ?
C3_31 C1_31 C2_31 F1_31 76.3(18) . . . . ?
C4_31 C1_31 C2_31 F1_31 -43.0(19) . . . . ?
O1_31 C1_31 C2_31 F3_31 -40(2) . . . . ?
C3_31 C1_31 C2_31 F3_31 -162.8(17) . . . . ?
C4_31 C1_31 C2_31 F3_31 77.9(19) . . . . ?
O1_31 C1_31 C2_31 F2_31 79.8(17) . . . . ?
C3_31 C1_31 C2_31 F2_31 -42.6(18) . . . . ?
C4_31 C1_31 C2_31 F2_31 -161.9(14) . . . . ?
O1_31 C1_31 C3_31 F5_31 72.3(19) . . . . ?
C2_31 C1_31 C3_31 F5_31 -164.4(16) . . . . ?
C4_31 C1_31 C3_31 F5_31 -45(2) . . . . ?
O1_31 C1_31 C3_31 F4_31 -166.9(15) . . . . ?
C2_31 C1_31 C3_31 F4_31 -43.5(17) . . . . ?
C4_31 C1_31 C3_31 F4_31 75.9(16) . . . . ?
O1_31 C1_31 C3_31 F6_31 -46.8(18) . . . . ?
C2_31 C1_31 C3_31 F6_31 76.5(18) . . . . ?
C4_31 C1_31 C3_31 F6_31 -164.0(15) . . . . ?
O1_31 C1_31 C4_31 F9_31 -44(2) . . . . ?
C3_31 C1_31 C4_31 F9_31 75.2(19) . . . . ?
C2_31 C1_31 C4_31 F9_31 -165.2(17) . . . . ?
O1_31 C1_31 C4_31 F7_31 -164.3(16) . . . . ?
C3_31 C1_31 C4_31 F7_31 -45.0(17) . . . . ?
C2_31 C1_31 C4_31 F7_31 74.6(16) . . . . ?
O1_31 C1_31 C4_31 F8_31 77.7(17) . . . . ?
C3_31 C1_31 C4_31 F8_31 -163.1(13) . . . . ?
C2_31 C1_31 C4_31 F8_31 -43.4(17) . . . . ?
O1_29 Al4 O1_32 C1_32 157(2) . . . . ?
O1_28 Al4 O1_32 C1_32 38(2) . . . . ?
O1_30 Al4 O1_32 C1_32 -88(2) . . . . ?
Al4 O1_32 C1_32 C3_32 16(3) . . . . ?
Al4 O1_32 C1_32 C2_32 -104(2) . . . . ?
Al4 O1_32 C1_32 C4_32 139.4(19) . . . . ?
O1_32 C1_32 C2_32 F1_32 162.4(14) . . . . ?
C3_32 C1_32 C2_32 F1_32 41.3(18) . . . . ?
C4_32 C1_32 C2_32 F1_32 -81.1(16) . . . . ?
O1_32 C1_32 C2_32 F2_32 -78.5(14) . . . . ?
C3_32 C1_32 C2_32 F2_32 160.3(13) . . . . ?
C4_32 C1_32 C2_32 F2_32 38.0(17) . . . . ?
O1_32 C1_32 C2_32 F3_32 39.7(16) . . . . ?
C3_32 C1_32 C2_32 F3_32 -81.5(17) . . . . ?
C4_32 C1_32 C2_32 F3_32 156.1(15) . . . . ?
O1_32 C1_32 C3_32 F4_32 161.3(13) . . . . ?
C2_32 C1_32 C3_32 F4_32 -86.9(16) . . . . ?
C4_32 C1_32 C3_32 F4_32 36.6(18) . . . . ?
O1_32 C1_32 C3_32 F6_32 -73.2(15) . . . . ?
C2_32 C1_32 C3_32 F6_32 38.6(17) . . . . ?
C4_32 C1_32 C3_32 F6_32 162.1(12) . . . . ?
O1_32 C1_32 C3_32 F5_32 44.1(15) . . . . ?
C2_32 C1_32 C3_32 F5_32 155.9(12) . . . . ?
C4_32 C1_32 C3_32 F5_32 -80.6(15) . . . . ?
O1_32 C1_32 C4_32 F9_32 -84.0(14) . . . . ?
C3_32 C1_32 C4_32 F9_32 42.7(17) . . . . ?
C2_32 C1_32 C4_32 F9_32 167.3(12) . . . . ?
O1_32 C1_32 C4_32 F7_32 156.9(12) . . . . ?
C3_32 C1_32 C4_32 F7_32 -76.5(15) . . . . ?
C2_32 C1_32 C4_32 F7_32 48.2(16) . . . . ?
O1_32 C1_32 C4_32 F8_32 43.3(16) . . . . ?
C3_32 C1_32 C4_32 F8_32 169.9(13) . . . . ?
C2_32 C1_32 C4_32 F8_32 -65.4(17) . . . . ?
O1_29 Al4 O1_33 C1_33 99(2) . . . . ?
O1_28 Al4 O1_33 C1_33 -29(3) . . . . ?
O1_31 Al4 O1_33 C1_33 -139(2) . . . . ?
Al4 O1_33 C1_33 C2_33 -2(3) . . . . ?
Al4 O1_33 C1_33 C3_33 118(2) . . . . ?
Al4 O1_33 C1_33 C4_33 -125(2) . . . . ?
O1_33 C1_33 C2_33 F2_33 -47(2) . . . . ?
C3_33 C1_33 C2_33 F2_33 -167.0(16) . . . . ?
C4_33 C1_33 C2_33 F2_33 77.5(19) . . . . ?
O1_33 C1_33 C2_33 F3_33 73.8(18) . . . . ?
C3_33 C1_33 C2_33 F3_33 -46.1(17) . . . . ?
C4_33 C1_33 C2_33 F3_33 -161.6(13) . . . . ?
O1_33 C1_33 C2_33 F1_33 -173.2(15) . . . . ?
C3_33 C1_33 C2_33 F1_33 66.9(16) . . . . ?
C4_33 C1_33 C2_33 F1_33 -48.6(17) . . . . ?
O1_33 C1_33 C3_33 F6_33 -52.3(17) . . . . ?
C2_33 C1_33 C3_33 F6_33 74.1(17) . . . . ?
C4_33 C1_33 C3_33 F6_33 -171.0(14) . . . . ?
O1_33 C1_33 C3_33 F5_33 71.6(15) . . . . ?
C2_33 C1_33 C3_33 F5_33 -161.9(13) . . . . ?
C4_33 C1_33 C3_33 F5_33 -47.1(17) . . . . ?
O1_33 C1_33 C3_33 F4_33 -165.2(14) . . . . ?
C2_33 C1_33 C3_33 F4_33 -38.7(16) . . . . ?
C4_33 C1_33 C3_33 F4_33 76.1(16) . . . . ?
O1_33 C1_33 C4_33 F7_33 -158.9(13) . . . . ?
C2_33 C1_33 C4_33 F7_33 72.2(16) . . . . ?
C3_33 C1_33 C4_33 F7_33 -42.4(17) . . . . ?
O1_33 C1_33 C4_33 F8_33 80.8(16) . . . . ?
C2_33 C1_33 C4_33 F8_33 -48.0(18) . . . . ?
C3_33 C1_33 C4_33 F8_33 -162.7(14) . . . . ?
O1_33 C1_33 C4_33 F9_33 -40.9(16) . . . . ?
C2_33 C1_33 C4_33 F9_33 -169.8(14) . . . . ?
C3_33 C1_33 C4_33 F9_33 75.6(17) . . . . ?

_refine_diff_density_max         1.565
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.114


_chemical_properties_physical    ', Moisture-sensitive'
