#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:19:54 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257353 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/75/1557540.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557540
loop_
_publ_author_name
'Bohnenberger, Jan'
'Schmitt, Manuel'
'Feuerstein, Wolfram'
'Krummenacher, Ivo'
'Butschke, Burkhard'
'Czajka, Jakub'
'Malinowski, Przemysław J.'
'Breher, Frank'
'Krossing, Ingo'
_publ_section_title
;
 Completing the triad: synthesis and full characterization of homoleptic
 and heteroleptic carbonyl and nitrosyl complexes of the group VI metals
;
_journal_issue                   14
_journal_name_full               'Chemical Science'
_journal_page_first              3592
_journal_page_last               3603
_journal_paper_doi               10.1039/C9SC06445A
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C24 Al2 F55 O6, C10 F9 O7 W'
_chemical_formula_sum            'C68 Al4 F128 O26 W2'
_chemical_formula_weight         4140.30
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-09-09 deposited with the CCDC.	2020-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                94.072(3)
_cell_angle_beta                 102.240(3)
_cell_angle_gamma                101.653(3)
_cell_formula_units_Z            2
_cell_length_a                   15.848(3)
_cell_length_b                   17.229(3)
_cell_length_c                   22.395(4)
_cell_measurement_reflns_used    9715
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60.442
_cell_measurement_theta_min      4.860
_cell_volume                     5811.1(18)
_computing_cell_refinement       'SAINT V8.38A (1, 2016)'
_computing_data_collection       'APEX2 v2013..6-2'
_computing_data_reduction        'SAINT V8.38A (1, 2016)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  ShelXle-861
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart ApexII Quazar'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            382640
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.042
_diffrn_reflns_theta_min         0.937
_diffrn_source                   'INCOATEC Mo Microsource'
_exptl_absorpt_coefficient_mu    2.283
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.366
_exptl_crystal_description       block
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.225
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3206
_refine_ls_number_reflns         37090
_refine_ls_number_restraints     39550
_refine_ls_restrained_S_all      3.056
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.244
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0234P)²+9.4012P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0698
_reflns_Friedel_coverage         0.000
_reflns_number_gt                28054
_reflns_number_total             37090
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9sc06445a2.cif
_cod_data_source_block           IK_JB130_0m_a
_cod_depositor_comments
;Adding full bibliography for 1557531--1557542.cif.

 Adding full bibliography for 1557531--1557542.cif.
;
_cod_original_cell_volume        5811.1(17)
_cod_database_code               1557540
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.40727(2) -0.13752(2) 0.26824(2) 0.01620(2) Uani 1 1 d D . . . .
O1 O 0.26750(15) -0.02516(14) 0.22724(10) 0.0381(5) Uani 1 1 d D . . . .
C1 C 0.31232(18) -0.06653(17) 0.24088(12) 0.0251(5) Uani 1 1 d D . . . .
F1 F 0.500000 0.500000 0.000000 0.0202(4) Uani 1 2 d DS . P D .
Al1 Al 0.46098(5) 0.58584(4) 0.01754(3) 0.01487(14) Uani 1 1 d D . . . .
O2 O 0.37178(15) -0.16927(12) 0.11740(9) 0.0321(5) Uani 1 1 d D . . . .
C2 C 0.38123(18) -0.16150(16) 0.17183(12) 0.0230(5) Uani 1 1 d D . . . .
F2 F 0.500000 0.500000 0.500000 0.0148(4) Uani 1 2 d DS . P C .
Al2 Al 0.54863(5) 0.45138(4) 0.44861(3) 0.01225(13) Uani 1 1 d D . . . .
W2 W -0.10025(2) 0.36094(2) 0.26148(2) 0.01557(2) Uani 1 1 d D . . . .
Al4 Al 0.03904(5) 0.91408(4) -0.01727(3) 0.01245(13) Uani 1 1 d D . . . .
O4 O 0.48524(13) -0.06638(12) 0.41225(8) 0.0279(4) Uani 1 1 d D . . . .
C4 C 0.45625(17) -0.09049(16) 0.36215(11) 0.0212(5) Uani 1 1 d D . . . .
F4 F 0.000000 1.000000 0.000000 0.0168(4) Uani 1 2 d DS . P . .
Al3 Al 0.94534(4) 0.04988(4) 0.54647(3) 0.01205(13) Uani 1 1 d D . . . .
O3 O 0.58515(15) -0.20454(14) 0.31094(9) 0.0350(5) Uani 1 1 d . . . . .
C3 C 0.52411(19) -0.18192(17) 0.29487(12) 0.0240(5) Uani 1 1 d . . . . .
F3 F 1.000000 0.000000 0.500000 0.0158(4) Uani 1 2 d S . P E .
C6 C 0.30522(18) -0.18021(16) 0.30919(13) 0.0244(5) Uani 1 1 d . . . . .
O6 O 0.24884(14) -0.20071(13) 0.33164(11) 0.0353(5) Uani 1 1 d . . . . .
C5 C 0.36878(19) -0.26029(16) 0.25313(13) 0.0257(5) Uani 1 1 d . . . . .
O5 O 0.35159(17) -0.32768(13) 0.24461(11) 0.0402(5) Uani 1 1 d . . . . .
C12 C -0.15042(19) 0.23995(16) 0.23575(11) 0.0237(5) Uani 1 1 d . . . . .
O12 O -0.17533(16) 0.17398(12) 0.22106(9) 0.0349(5) Uani 1 1 d . . . . .
C11 C -0.21335(19) 0.31996(16) 0.29126(13) 0.0254(5) Uani 1 1 d . . . . .
O11 O -0.27582(15) 0.29923(13) 0.30744(11) 0.0395(5) Uani 1 1 d . . . . .
C10 C -0.18301(18) 0.44190(17) 0.23372(12) 0.0234(5) Uani 1 1 d . . . . .
O10 O -0.22302(14) 0.48708(14) 0.22143(11) 0.0367(5) Uani 1 1 d . . . . .
C9 C -0.06012(19) 0.40146(16) 0.35809(12) 0.0239(5) Uani 1 1 d . . . . .
O9 O -0.03357(17) 0.42585(13) 0.40758(9) 0.0383(5) Uani 1 1 d . . . . .
C8 C 0.00848(19) 0.30642(16) 0.29284(11) 0.0228(5) Uani 1 1 d . . . . .
O8 O 0.06725(15) 0.28154(14) 0.31149(9) 0.0339(5) Uani 1 1 d . . . . .
C7 C -0.11671(17) 0.34422(15) 0.16435(12) 0.0204(5) Uani 1 1 d . . . . .
O7 O -0.12613(14) 0.33532(12) 0.11319(8) 0.0292(4) Uani 1 1 d . . . . .
O1_1 O 0.47610(15) -0.03927(13) 0.24228(10) 0.0197(5) Uani 0.787(4) 1 d D U P A
1
C1_1 C 0.5455(3) 0.0242(3) 0.2498(2) 0.0213(5) Uani 0.787(4) 1 d D U P A 1
C2_1 C 0.5335(4) 0.0921(3) 0.2937(3) 0.0407(8) Uani 0.787(4) 1 d D U P A 1
F1_1 F 0.5418(5) 0.0732(4) 0.3500(2) 0.094(2) Uani 0.787(4) 1 d D U P A 1
F2_1 F 0.5909(4) 0.1589(3) 0.2981(4) 0.089(2) Uani 0.787(4) 1 d D U P A 1
F3_1 F 0.4537(4) 0.1061(3) 0.2767(3) 0.113(3) Uani 0.787(4) 1 d D U P A 1
C3_1 C 0.5424(3) 0.0518(3) 0.1846(2) 0.0333(10) Uani 0.787(4) 1 d D U P A 1
F4_1 F 0.5405(4) -0.0079(3) 0.1451(2) 0.0880(19) Uani 0.787(4) 1 d D U P A 1
F5_1 F 0.4699(2) 0.0770(2) 0.16455(17) 0.0716(12) Uani 0.787(4) 1 d D U P A 1
F6_1 F 0.6100(2) 0.1116(2) 0.18506(16) 0.0584(10) Uani 0.787(4) 1 d D U P A 1
C4_1 C 0.6346(3) 0.0005(3) 0.2736(2) 0.0356(10) Uani 0.787(4) 1 d D U P A 1
F7_1 F 0.6436(2) -0.0576(2) 0.23582(18) 0.0692(12) Uani 0.787(4) 1 d D U P A 1
F8_1 F 0.70334(19) 0.0610(2) 0.28167(16) 0.0547(9) Uani 0.787(4) 1 d D U P A 1
F9_1 F 0.6365(2) -0.0268(2) 0.32714(15) 0.0601(10) Uani 0.787(4) 1 d D U P A 1
O1_2 O 0.00415(15) 0.45282(13) 0.26818(10) 0.0200(5) Uani 0.811(3) 1 d D U P B
1
C1_2 C 0.0481(3) 0.5187(3) 0.24880(19) 0.0226(6) Uani 0.811(3) 1 d D U P B 1
C2_2 C 0.1468(3) 0.5114(3) 0.2611(2) 0.0457(11) Uani 0.811(3) 1 d D U P B 1
F1_2 F 0.1514(4) 0.4377(3) 0.2399(2) 0.0680(13) Uani 0.811(3) 1 d D U P B 1
F2_2 F 0.19649(19) 0.5635(3) 0.2375(2) 0.1079(17) Uani 0.811(3) 1 d D U P B 1
F3_2 F 0.17849(19) 0.51886(18) 0.32121(13) 0.0529(8) Uani 0.811(3) 1 d D U P B
1
C3_2 C 0.0182(3) 0.5236(2) 0.18006(17) 0.0349(9) Uani 0.811(3) 1 d D U P B 1
F4_2 F -0.07121(15) 0.51585(15) 0.16356(10) 0.0404(6) Uani 0.811(3) 1 d D U P B
1
F5_2 F 0.0324(2) 0.46346(17) 0.14580(11) 0.0465(7) Uani 0.811(3) 1 d D U P B 1
F6_2 F 0.0536(2) 0.59149(16) 0.16206(13) 0.0538(8) Uani 0.811(3) 1 d D U P B 1
C4_2 C 0.0376(4) 0.5931(3) 0.2863(3) 0.0478(14) Uani 0.811(3) 1 d D U P B 1
F7_2 F -0.0416(4) 0.6060(4) 0.2680(3) 0.112(3) Uani 0.811(3) 1 d D U P B 1
F8_2 F 0.0987(3) 0.65704(18) 0.2819(2) 0.0921(15) Uani 0.811(3) 1 d D U P B 1
F9_2 F 0.0535(3) 0.5855(2) 0.34536(14) 0.0604(9) Uani 0.811(3) 1 d D U P B 1
O1_3 O 0.6420(4) 0.5241(4) 0.4519(4) 0.0180(5) Uani 0.677(5) 1 d D U P C 1
C1_3 C 0.7110(4) 0.5454(4) 0.4248(3) 0.0216(6) Uani 0.677(5) 1 d D U P C 1
C2_3 C 0.7161(3) 0.4772(2) 0.37756(19) 0.0276(9) Uani 0.677(5) 1 d D U P C 1
F1_3 F 0.6579(5) 0.4727(4) 0.3245(3) 0.0383(15) Uani 0.677(5) 1 d D U P C 1
F2_3 F 0.7962(3) 0.4853(4) 0.36420(19) 0.0393(10) Uani 0.677(5) 1 d D U P C 1
F3_3 F 0.6971(5) 0.4083(3) 0.3995(4) 0.0416(16) Uani 0.677(5) 1 d D U P C 1
C3_3 C 0.7976(3) 0.5650(4) 0.4758(2) 0.0488(14) Uani 0.677(5) 1 d D U P C 1
F4_3 F 0.7877(6) 0.6078(5) 0.5243(3) 0.081(3) Uani 0.677(5) 1 d D U P C 1
F5_3 F 0.8196(5) 0.4992(5) 0.4943(3) 0.070(2) Uani 0.677(5) 1 d D U P C 1
F6_3 F 0.8676(4) 0.6055(5) 0.4579(4) 0.064(2) Uani 0.677(5) 1 d D U P C 1
C4_3 C 0.7021(4) 0.6198(3) 0.3908(2) 0.0410(12) Uani 0.677(5) 1 d D U P C 1
F7_3 F 0.7200(6) 0.6846(4) 0.4303(3) 0.077(2) Uani 0.677(5) 1 d D U P C 1
F8_3 F 0.7571(4) 0.6309(3) 0.3529(3) 0.0532(14) Uani 0.677(5) 1 d D U P C 1
F9_3 F 0.6208(7) 0.6113(7) 0.3586(6) 0.057(2) Uani 0.677(5) 1 d D U P C 1
O1_4 O 0.56076(11) 0.36317(10) 0.47513(7) 0.0178(3) Uani 1 1 d D U . . .
C1_4 C 0.58489(16) 0.32075(14) 0.52211(11) 0.0180(5) Uani 1 1 d D U . . .
C2_4 C 0.67566(19) 0.36390(16) 0.56399(13) 0.0289(6) Uani 1 1 d D U . . .
F1_4 F 0.74172(11) 0.35488(11) 0.53845(10) 0.0425(5) Uani 1 1 d D U . . .
F2_4 F 0.68997(14) 0.33711(11) 0.61911(8) 0.0462(5) Uani 1 1 d D U . . .
F3_4 F 0.67927(12) 0.44174(9) 0.57316(8) 0.0327(4) Uani 1 1 d D U . . .
C3_4 C 0.51441(19) 0.31124(16) 0.56108(12) 0.0261(6) Uani 1 1 d D U . . .
F4_4 F 0.43329(11) 0.29273(11) 0.52614(8) 0.0328(4) Uani 1 1 d D U . . .
F5_4 F 0.52329(14) 0.37845(11) 0.59705(8) 0.0380(4) Uani 1 1 d D U . . .
F6_4 F 0.52174(13) 0.25294(11) 0.59811(8) 0.0382(4) Uani 1 1 d D U . . .
C4_4 C 0.59095(18) 0.23722(15) 0.49399(12) 0.0237(5) Uani 1 1 d D U . . .
F7_4 F 0.51033(11) 0.19115(10) 0.47164(8) 0.0322(4) Uani 1 1 d D U . . .
F8_4 F 0.63434(11) 0.19947(10) 0.53660(8) 0.0320(4) Uani 1 1 d D U . . .
F9_4 F 0.63240(12) 0.24392(10) 0.44877(8) 0.0326(4) Uani 1 1 d D U . . .
O1_5 O 0.47861(11) 0.43683(10) 0.37761(7) 0.0185(3) Uani 1 1 d D U . . .
C1_5 C 0.41470(16) 0.38493(14) 0.33456(10) 0.0167(4) Uani 1 1 d D U . . .
C2_5 C 0.33160(16) 0.35589(16) 0.36027(11) 0.0209(5) Uani 1 1 d D U . . .
F1_5 F 0.28366(11) 0.41129(11) 0.35990(8) 0.0319(4) Uani 1 1 d D U . . .
F2_5 F 0.27841(11) 0.28953(10) 0.32835(7) 0.0309(4) Uani 1 1 d D U . . .
F3_5 F 0.35597(11) 0.34200(10) 0.41844(7) 0.0273(3) Uani 1 1 d D U . . .
C3_5 C 0.44899(18) 0.31084(15) 0.31497(11) 0.0228(5) Uani 1 1 d D U . . .
F4_5 F 0.53203(12) 0.33297(11) 0.30911(9) 0.0371(4) Uani 1 1 d D U . . .
F5_5 F 0.44896(12) 0.26016(9) 0.35741(7) 0.0280(3) Uani 1 1 d D U . . .
F6_5 F 0.40027(13) 0.27100(10) 0.26165(7) 0.0344(4) Uani 1 1 d D U . . .
C4_5 C 0.39070(18) 0.43011(15) 0.27802(11) 0.0216(5) Uani 1 1 d D U . . .
F7_5 F 0.45601(12) 0.44171(10) 0.24887(7) 0.0313(4) Uani 1 1 d D U . . .
F8_5 F 0.31745(11) 0.39036(10) 0.23798(7) 0.0319(4) Uani 1 1 d D U . . .
F9_5 F 0.37811(12) 0.50154(10) 0.29548(7) 0.0289(4) Uani 1 1 d D U . . .
O1_6 O 0.4548(3) 0.6305(2) -0.04826(18) 0.0294(9) Uani 0.645(3) 1 d D U P D 1
C1_6 C 0.4743(4) 0.6983(4) -0.0743(3) 0.0207(7) Uani 0.645(3) 1 d D U P D 1
C2_6 C 0.4013(4) 0.6908(3) -0.1352(2) 0.0403(13) Uani 0.645(3) 1 d D U P D 1
F1_6 F 0.3270(3) 0.7020(4) -0.1209(3) 0.0783(17) Uani 0.645(3) 1 d D U P D 1
F2_6 F 0.4221(3) 0.7412(2) -0.17385(16) 0.0639(14) Uani 0.645(3) 1 d D U P D 1
F3_6 F 0.3859(4) 0.6185(3) -0.16580(17) 0.0649(13) Uani 0.645(3) 1 d D U P D 1
C3_6 C 0.5649(4) 0.7060(4) -0.0921(3) 0.0400(15) Uani 0.645(3) 1 d D U P D 1
F4_6 F 0.6250(3) 0.6948(3) -0.04464(18) 0.0665(13) Uani 0.645(3) 1 d D U P D 1
F5_6 F 0.5600(6) 0.6508(4) -0.1379(3) 0.0560(19) Uani 0.645(3) 1 d D U P D 1
F6_6 F 0.5939(3) 0.7774(3) -0.1087(2) 0.0600(13) Uani 0.645(3) 1 d D U P D 1
C4_6 C 0.4794(6) 0.7740(4) -0.0310(4) 0.0270(17) Uani 0.645(3) 1 d D U P D 1
F7_6 F 0.5569(5) 0.7963(4) 0.0079(2) 0.0305(11) Uani 0.645(3) 1 d D U P D 1
F8_6 F 0.4687(6) 0.8353(5) -0.0627(4) 0.0428(14) Uani 0.645(3) 1 d D U P D 1
F9_6 F 0.4173(6) 0.7625(6) 0.0007(5) 0.056(2) Uani 0.645(3) 1 d D U P D 1
O1_7 O 0.5345(4) 0.6442(3) 0.0777(2) 0.0144(9) Uani 0.604(17) 1 d D U P D 1
C1_7 C 0.5963(6) 0.6491(5) 0.1309(4) 0.0176(15) Uani 0.604(17) 1 d D U P D 1
C2_7 C 0.6798(5) 0.6242(6) 0.1181(4) 0.0206(15) Uani 0.604(17) 1 d D U P D 1
F1_7 F 0.6632(9) 0.5447(5) 0.1073(5) 0.0252(14) Uani 0.604(17) 1 d D U P D 1
F2_7 F 0.7495(4) 0.6476(4) 0.1654(3) 0.0306(12) Uani 0.604(17) 1 d D U P D 1
F3_7 F 0.6997(5) 0.6554(5) 0.0692(3) 0.0334(12) Uani 0.604(17) 1 d D U P D 1
C3_7 C 0.6223(7) 0.7374(5) 0.1612(4) 0.0315(19) Uani 0.604(17) 1 d D U P D 1
F4_7 F 0.5480(8) 0.7648(12) 0.1596(8) 0.046(2) Uani 0.604(17) 1 d D U P D 1
F5_7 F 0.6702(4) 0.7835(5) 0.1307(4) 0.0421(14) Uani 0.604(17) 1 d D U P D 1
F6_7 F 0.6652(10) 0.7452(9) 0.2199(4) 0.047(3) Uani 0.604(17) 1 d D U P D 1
C4_7 C 0.5577(5) 0.5945(4) 0.1753(3) 0.0288(14) Uani 0.604(17) 1 d D U P D 1
F7_7 F 0.5034(4) 0.6271(5) 0.2027(3) 0.0420(13) Uani 0.604(17) 1 d D U P D 1
F8_7 F 0.6203(5) 0.5791(4) 0.2195(2) 0.0441(14) Uani 0.604(17) 1 d D U P D 1
F9_7 F 0.5107(4) 0.5252(2) 0.1444(3) 0.0357(11) Uani 0.604(17) 1 d D U P D 1
O1_8 O 0.3531(4) 0.5572(6) 0.0153(4) 0.0206(15) Uani 0.436(14) 1 d D U P D 1
C1_8 C 0.2825(8) 0.5440(7) 0.0411(6) 0.022(2) Uani 0.436(14) 1 d D U P D 1
C2_8 C 0.1982(6) 0.5070(8) -0.0098(6) 0.045(3) Uani 0.436(14) 1 d D U P D 1
F1_8 F 0.1964(12) 0.4307(8) -0.0238(8) 0.049(4) Uani 0.436(14) 1 d D U P D 1
F2_8 F 0.1261(5) 0.5124(8) 0.0090(6) 0.074(3) Uani 0.436(14) 1 d D U P D 1
F3_8 F 0.2008(8) 0.5426(7) -0.0604(5) 0.063(3) Uani 0.436(14) 1 d D U P D 1
C3_8 C 0.2703(9) 0.6244(6) 0.0705(5) 0.030(3) Uani 0.436(14) 1 d D U P D 1
F4_8 F 0.3480(9) 0.6675(10) 0.1032(7) 0.041(3) Uani 0.436(14) 1 d D U P D 1
F5_8 F 0.2420(9) 0.6677(11) 0.0270(8) 0.043(3) Uani 0.436(14) 1 d D U P D 1
F6_8 F 0.2138(12) 0.6133(16) 0.1068(9) 0.039(4) Uani 0.436(14) 1 d D U P D 1
C4_8 C 0.2963(8) 0.4875(6) 0.0912(4) 0.038(2) Uani 0.436(14) 1 d D U P D 1
F7_8 F 0.3500(7) 0.5272(6) 0.1434(3) 0.0497(19) Uani 0.436(14) 1 d D U P D 1
F8_8 F 0.2220(8) 0.4541(4) 0.1060(4) 0.063(2) Uani 0.436(14) 1 d D U P D 1
F9_8 F 0.3317(10) 0.4300(5) 0.0728(3) 0.063(3) Uani 0.436(14) 1 d D U P D 1
O1_9 O 0.8623(5) -0.0214(6) 0.5616(5) 0.0152(12) Uani 0.582(3) 1 d D U P E 1
C1_9 C 0.7746(5) -0.0566(5) 0.5468(4) 0.0155(12) Uani 0.582(3) 1 d D U P E 1
C2_9 C 0.7179(5) -0.0019(4) 0.5692(3) 0.0240(12) Uani 0.582(3) 1 d D U P E 1
F1_9 F 0.7270(4) 0.0036(5) 0.6306(2) 0.0373(11) Uani 0.582(3) 1 d D U P E 1
F2_9 F 0.6303(5) -0.0277(6) 0.5451(5) 0.030(2) Uani 0.582(3) 1 d D U P E 1
F3_9 F 0.7425(6) 0.0721(3) 0.5556(3) 0.0323(12) Uani 0.582(3) 1 d D U P E 1
C3_9 C 0.7391(5) -0.0789(5) 0.4759(3) 0.0239(14) Uani 0.582(3) 1 d D U P E 1
F4_9 F 0.8010(5) -0.1035(6) 0.4523(5) 0.0395(13) Uani 0.582(3) 1 d D U P E 1
F5_9 F 0.7221(5) -0.0157(4) 0.4489(3) 0.0350(14) Uani 0.582(3) 1 d D U P E 1
F6_9 F 0.6648(6) -0.1358(8) 0.4607(7) 0.032(2) Uani 0.582(3) 1 d D U P E 1
C4_9 C 0.7636(5) -0.1336(4) 0.5791(3) 0.0237(12) Uani 0.582(3) 1 d D U P E 1
F7_9 F 0.7884(6) -0.1908(5) 0.5488(3) 0.0335(13) Uani 0.582(3) 1 d D U P E 1
F8_9 F 0.6802(6) -0.1619(7) 0.5800(6) 0.037(2) Uani 0.582(3) 1 d D U P E 1
F9_9 F 0.8139(5) -0.1199(4) 0.6361(2) 0.0340(13) Uani 0.582(3) 1 d D U P E 1
O1_10 O 0.9073(4) 0.1186(3) 0.5045(3) 0.0230(4) Uani 0.735(4) 1 d D U P E 1
C1_10 C 0.9111(3) 0.1767(3) 0.4676(2) 0.0163(9) Uani 0.735(4) 1 d D U P E 1
C2_10 C 0.8881(2) 0.2511(2) 0.49888(16) 0.0229(7) Uani 0.735(4) 1 d D U P E 1
F1_10 F 0.9567(3) 0.2929(3) 0.54085(19) 0.0357(9) Uani 0.735(4) 1 d D U P E 1
F2_10 F 0.86211(19) 0.29952(16) 0.45752(15) 0.0334(6) Uani 0.735(4) 1 d D U P E
1
F3_10 F 0.8221(4) 0.2272(4) 0.52608(17) 0.0310(10) Uani 0.735(4) 1 d D U P E 1
C3_10 C 0.8424(2) 0.1463(2) 0.40578(15) 0.0259(8) Uani 0.735(4) 1 d D U P E 1
F4_10 F 0.8451(4) 0.0721(3) 0.3867(5) 0.0378(13) Uani 0.735(4) 1 d D U P E 1
F5_10 F 0.7608(4) 0.1450(3) 0.4116(3) 0.0316(12) Uani 0.735(4) 1 d D U P E 1
F6_10 F 0.8577(2) 0.1912(2) 0.36096(12) 0.0400(7) Uani 0.735(4) 1 d D U P E 1
C4_10 C 1.0052(2) 0.2000(2) 0.45513(15) 0.0224(7) Uani 0.735(4) 1 d D U P E 1
F7_10 F 1.0167(3) 0.1453(2) 0.4148(2) 0.0323(8) Uani 0.735(4) 1 d D U P E 1
F8_10 F 1.0184(7) 0.2691(3) 0.4319(3) 0.0311(12) Uani 0.735(4) 1 d D U P E 1
F9_10 F 1.0668(4) 0.2057(5) 0.5070(3) 0.0360(18) Uani 0.735(4) 1 d D U P E 1
O1_11 O 1.02997(11) 0.08259(11) 0.61003(7) 0.0206(4) Uani 1 1 d D U . . .
C1_11 C 1.05059(17) 0.12028(16) 0.66833(10) 0.0213(5) Uani 1 1 d D U . . .
C2_11 C 1.0997(2) 0.0689(2) 0.71191(13) 0.0361(7) Uani 1 1 d D U . . .
F1_11 F 1.18098(13) 0.07327(14) 0.70302(9) 0.0481(5) Uani 1 1 d D U . . .
F2_11 F 1.10650(17) 0.09270(15) 0.77063(8) 0.0608(7) Uani 1 1 d D U . . .
F3_11 F 1.05727(16) -0.00705(12) 0.70041(9) 0.0523(6) Uani 1 1 d D U . . .
C3_11 C 0.96605(19) 0.13136(19) 0.68928(12) 0.0306(6) Uani 1 1 d D U . . .
F4_11 F 0.90986(11) 0.15147(13) 0.64256(8) 0.0392(4) Uani 1 1 d D U . . .
F5_11 F 0.92304(14) 0.06361(13) 0.70501(9) 0.0476(5) Uani 1 1 d D U . . .
F6_11 F 0.98261(12) 0.18797(12) 0.73630(8) 0.0394(4) Uani 1 1 d D U . . .
C4_11 C 1.11145(19) 0.20322(18) 0.67082(13) 0.0301(6) Uani 1 1 d D U . . .
F7_11 F 1.06460(14) 0.25259(11) 0.64391(8) 0.0398(4) Uani 1 1 d D U . . .
F8_11 F 1.15042(13) 0.23609(13) 0.72830(8) 0.0470(5) Uani 1 1 d D U . . .
F9_11 F 1.17467(12) 0.19802(12) 0.64098(9) 0.0427(5) Uani 1 1 d D U . . .
O1_12 O 0.00981(15) 0.85785(11) 0.03786(9) 0.0298(4) Uani 1 1 d D U . . .
C1_12 C 0.01682(17) 0.79336(14) 0.06813(10) 0.0179(5) Uani 1 1 d D U . . .
C2_12 C 0.02608(19) 0.72259(15) 0.02527(12) 0.0239(5) Uani 1 1 d D U . . .
F1_12 F -0.05033(14) 0.68821(12) -0.01317(8) 0.0452(5) Uani 1 1 d D U . . .
F2_12 F 0.05520(14) 0.66683(11) 0.05589(8) 0.0388(4) Uani 1 1 d D U . . .
F3_12 F 0.08186(14) 0.74878(12) -0.00924(9) 0.0455(5) Uani 1 1 d D U . . .
C3_12 C 0.09746(18) 0.81547(18) 0.12373(13) 0.0291(6) Uani 1 1 d D U . . .
F4_12 F 0.10030(14) 0.88464(12) 0.15480(10) 0.0514(6) Uani 1 1 d D U . . .
F5_12 F 0.17250(12) 0.82224(14) 0.10469(10) 0.0508(6) Uani 1 1 d D U . . .
F6_12 F 0.09793(13) 0.76217(12) 0.16398(8) 0.0398(4) Uani 1 1 d D U . . .
C4_12 C -0.06954(18) 0.76845(17) 0.09155(12) 0.0261(6) Uani 1 1 d D U . . .
F7_12 F -0.07175(13) 0.82193(12) 0.13645(8) 0.0410(5) Uani 1 1 d D U . . .
F8_12 F -0.07522(13) 0.69817(11) 0.11317(9) 0.0396(4) Uani 1 1 d D U . . .
F9_12 F -0.14071(12) 0.76335(13) 0.04699(9) 0.0410(5) Uani 1 1 d D U . . .
O1_13 O 0.14989(11) 0.94716(12) -0.00763(9) 0.0249(4) Uani 1 1 d D U . . .
C1_13 C 0.22420(16) 0.95942(14) -0.02968(11) 0.0188(5) Uani 1 1 d D U . . .
C2_13 C 0.23805(17) 0.87850(15) -0.05606(12) 0.0217(5) Uani 1 1 d D U . . .
F1_13 F 0.26436(13) 0.83602(10) -0.01118(8) 0.0352(4) Uani 1 1 d D U . . .
F2_13 F 0.29750(11) 0.88718(11) -0.09034(8) 0.0334(4) Uani 1 1 d D U . . .
F3_13 F 0.16229(11) 0.83512(9) -0.09144(7) 0.0273(3) Uani 1 1 d D U . . .
C3_13 C 0.2186(2) 1.01561(17) -0.07986(14) 0.0346(7) Uani 1 1 d D U . . .
F4_13 F 0.18125(18) 1.07430(12) -0.06452(10) 0.0579(6) Uani 1 1 d D U . . .
F5_13 F 0.16844(14) 0.97659(12) -0.13347(8) 0.0425(5) Uani 1 1 d D U . . .
F6_13 F 0.29743(16) 1.04793(12) -0.08924(10) 0.0545(6) Uani 1 1 d D U . . .
C4_13 C 0.30404(17) 0.99727(17) 0.02588(13) 0.0267(6) Uani 1 1 d D U . . .
F7_13 F 0.30744(12) 1.07375(10) 0.03956(9) 0.0376(4) Uani 1 1 d D U . . .
F8_13 F 0.38088(11) 0.99044(13) 0.01348(10) 0.0463(5) Uani 1 1 d D U . . .
F9_13 F 0.29620(12) 0.96170(12) 0.07575(8) 0.0379(4) Uani 1 1 d D U . . .
O1_14 O -0.01262(13) 0.87558(13) -0.09090(8) 0.0304(5) Uani 1 1 d D U . . .
C1_14 C -0.08504(16) 0.85608(15) -0.13820(10) 0.0188(5) Uani 1 1 d D U . . .
C2_14 C -0.16681(18) 0.87775(17) -0.11954(12) 0.0260(6) Uani 1 1 d D U . . .
F1_14 F -0.16021(12) 0.95646(11) -0.11638(8) 0.0352(4) Uani 1 1 d D U . . .
F2_14 F -0.24221(11) 0.84235(12) -0.15859(9) 0.0408(5) Uani 1 1 d D U . . .
F3_14 F -0.16959(13) 0.85758(12) -0.06391(8) 0.0397(5) Uani 1 1 d D U . . .
C3_14 C -0.10548(18) 0.76529(16) -0.15897(11) 0.0244(5) Uani 1 1 d D U . . .
F4_14 F -0.03051(12) 0.74054(11) -0.16007(8) 0.0341(4) Uani 1 1 d D U . . .
F5_14 F -0.14401(14) 0.72384(11) -0.12083(9) 0.0427(5) Uani 1 1 d D U . . .
F6_14 F -0.15744(12) 0.74549(11) -0.21521(8) 0.0354(4) Uani 1 1 d D U . . .
C4_14 C -0.0640(2) 0.90235(18) -0.19240(13) 0.0324(6) Uani 1 1 d D U . . .
F7_14 F -0.00855(14) 0.87069(12) -0.21894(9) 0.0435(5) Uani 1 1 d D U . . .
F8_14 F -0.13555(15) 0.90165(14) -0.23521(9) 0.0514(6) Uani 1 1 d D U . . .
F9_14 F -0.02437(15) 0.97767(11) -0.17215(11) 0.0518(6) Uani 1 1 d D U . . .
O1_15 O 0.8593(17) -0.019(2) 0.5587(19) 0.0152(12) Uani 0.105(3) 1 d D U P E 2
C1_15 C 0.7725(16) -0.0551(16) 0.5528(13) 0.0155(12) Uani 0.105(3) 1 d D U P E
2
C2_15 C 0.769(2) -0.1280(17) 0.5890(14) 0.021(3) Uani 0.105(3) 1 d D U P E 2
F1_15 F 0.794(4) -0.186(3) 0.561(2) 0.0335(13) Uani 0.105(3) 1 d D U P E 2
F2_15 F 0.686(2) -0.155(3) 0.593(2) 0.037(2) Uani 0.105(3) 1 d D U P E 2
F3_15 F 0.819(3) -0.110(2) 0.6454(15) 0.0340(13) Uani 0.105(3) 1 d D U P E 2
C3_15 C 0.725(2) 0.0035(19) 0.5799(14) 0.029(4) Uani 0.105(3) 1 d D U P E 2
F4_15 F 0.741(5) 0.079(2) 0.567(2) 0.0440(19) Uani 0.105(3) 1 d D U P E 2
F5_15 F 0.746(3) 0.007(3) 0.6406(14) 0.0373(11) Uani 0.105(3) 1 d D U P E 2
F6_15 F 0.638(2) -0.025(4) 0.5624(18) 0.041(8) Uani 0.105(3) 1 d D U P E 2
C4_15 C 0.732(2) -0.079(2) 0.4835(12) 0.021(4) Uani 0.105(3) 1 d D U P E 2
F7_15 F 0.710(3) -0.016(3) 0.4587(19) 0.048(9) Uani 0.105(3) 1 d D U P E 2
F8_15 F 0.658(2) -0.133(2) 0.4733(15) 0.032(8) Uani 0.105(3) 1 d D U P E 2
F9_15 F 0.786(3) -0.107(4) 0.453(3) 0.0395(13) Uani 0.105(3) 1 d D U P E 2
O1_16 O 0.9041(11) 0.1190(9) 0.5031(7) 0.0230(4) Uani 0.265(4) 1 d D U P E 2
C1_16 C 0.9115(9) 0.1726(8) 0.4613(6) 0.020(2) Uani 0.265(4) 1 d D U P E 2
C2_16 C 0.9938(6) 0.2411(5) 0.4864(4) 0.0241(19) Uani 0.265(4) 1 d D U P E 2
F1_16 F 0.9794(7) 0.2928(7) 0.5278(5) 0.030(2) Uani 0.265(4) 1 d D U P E 2
F2_16 F 1.0165(18) 0.2844(9) 0.4418(8) 0.024(3) Uani 0.265(4) 1 d D U P E 2
F3_16 F 1.0618(10) 0.2104(12) 0.5095(7) 0.025(3) Uani 0.265(4) 1 d D U P E 2
C3_16 C 0.9180(5) 0.1309(5) 0.4002(4) 0.0214(18) Uani 0.265(4) 1 d D U P E 2
F4_16 F 0.8613(9) 0.0603(8) 0.3853(13) 0.033(3) Uani 0.265(4) 1 d D U P E 2
F5_16 F 0.9974(6) 0.1180(6) 0.4016(5) 0.026(2) Uani 0.265(4) 1 d D U P E 2
F6_16 F 0.8973(6) 0.1737(5) 0.3531(3) 0.0338(17) Uani 0.265(4) 1 d D U P E 2
C4_16 C 0.8256(6) 0.2046(5) 0.4528(4) 0.0244(19) Uani 0.265(4) 1 d D U P E 2
F7_16 F 0.7560(11) 0.1550(9) 0.4179(10) 0.040(4) Uani 0.265(4) 1 d D U P E 2
F8_16 F 0.8346(5) 0.2714(4) 0.4258(4) 0.0346(18) Uani 0.265(4) 1 d D U P E 2
F9_16 F 0.8082(11) 0.2242(11) 0.5069(5) 0.034(3) Uani 0.265(4) 1 d D U P E 2
O1_17 O 0.6444(8) 0.5199(9) 0.4513(7) 0.0180(5) Uani 0.323(5) 1 d D U P C 2
C1_17 C 0.7161(9) 0.5437(7) 0.4273(6) 0.0216(6) Uani 0.323(5) 1 d D U P C 2
C2_17 C 0.7760(6) 0.6197(6) 0.4667(4) 0.043(2) Uani 0.323(5) 1 d D U P C 2
F1_17 F 0.7396(8) 0.6821(8) 0.4546(6) 0.056(3) Uani 0.323(5) 1 d D U P C 2
F2_17 F 0.8527(8) 0.6338(9) 0.4498(8) 0.049(3) Uani 0.323(5) 1 d D U P C 2
F3_17 F 0.7896(13) 0.6154(8) 0.5255(5) 0.056(4) Uani 0.323(5) 1 d D U P C 2
C3_17 C 0.7684(5) 0.4774(5) 0.4286(4) 0.0312(18) Uani 0.323(5) 1 d D U P C 2
F4_17 F 0.7160(11) 0.4040(8) 0.4133(8) 0.044(3) Uani 0.323(5) 1 d D U P C 2
F5_17 F 0.8184(12) 0.4764(9) 0.4834(6) 0.055(3) Uani 0.323(5) 1 d D U P C 2
F6_17 F 0.8190(6) 0.4837(8) 0.3873(4) 0.039(2) Uani 0.323(5) 1 d D U P C 2
C4_17 C 0.6844(5) 0.5602(5) 0.3606(4) 0.0308(18) Uani 0.323(5) 1 d D U P C 2
F7_17 F 0.6542(11) 0.4923(7) 0.3234(7) 0.035(3) Uani 0.323(5) 1 d D U P C 2
F8_17 F 0.7489(7) 0.6020(5) 0.3393(4) 0.039(2) Uani 0.323(5) 1 d D U P C 2
F9_17 F 0.6188(12) 0.5980(14) 0.3533(11) 0.048(4) Uani 0.323(5) 1 d D U P C 2
O1_18 O 0.5116(5) -0.0465(4) 0.2695(4) 0.0197(5) Uani 0.213(4) 1 d D U P A 2
C1_18 C 0.5496(10) 0.0257(8) 0.2548(7) 0.0213(5) Uani 0.213(4) 1 d D U P A 2
C2_18 C 0.5293(9) 0.0917(7) 0.2958(8) 0.0407(8) Uani 0.213(4) 1 d D U P A 2
F1_18 F 0.5689(9) 0.0880(13) 0.3524(8) 0.060(5) Uani 0.213(4) 1 d D U P A 2
F2_18 F 0.5535(11) 0.1628(10) 0.2809(11) 0.058(5) Uani 0.213(4) 1 d D U P A 2
F3_18 F 0.4466(8) 0.0786(8) 0.2954(8) 0.049(4) Uani 0.213(4) 1 d D U P A 2
C3_18 C 0.5158(8) 0.0328(8) 0.1868(5) 0.043(3) Uani 0.213(4) 1 d D U P A 2
F4_18 F 0.5152(9) -0.0302(9) 0.1482(7) 0.055(4) Uani 0.213(4) 1 d D U P A 2
F5_18 F 0.4325(7) 0.0418(9) 0.1744(6) 0.073(4) Uani 0.213(4) 1 d D U P A 2
F6_18 F 0.5650(10) 0.0938(8) 0.1672(6) 0.061(4) Uani 0.213(4) 1 d D U P A 2
C4_18 C 0.6500(8) 0.0304(8) 0.2688(5) 0.031(3) Uani 0.213(4) 1 d D U P A 2
F7_18 F 0.6707(7) -0.0100(7) 0.2236(5) 0.048(3) Uani 0.213(4) 1 d D U P A 2
F8_18 F 0.6960(7) 0.1046(6) 0.2742(6) 0.060(3) Uani 0.213(4) 1 d D U P A 2
F9_18 F 0.6793(7) 0.0032(8) 0.3205(4) 0.048(3) Uani 0.213(4) 1 d D U P A 2
O1_20 O 0.8565(7) -0.0111(9) 0.5620(8) 0.016(3) Uani 0.314(2) 1 d D U P E 3
C1_20 C 0.7704(9) -0.0518(8) 0.5467(6) 0.019(2) Uani 0.314(2) 1 d D U P E 3
C2_20 C 0.7520(6) -0.1041(6) 0.5976(4) 0.036(2) Uani 0.314(2) 1 d D U P E 3
F1_20 F 0.7474(4) -0.0598(5) 0.6472(3) 0.0512(19) Uani 0.314(2) 1 d D U P E 3
F2_20 F 0.6748(9) -0.1585(9) 0.5826(7) 0.036(4) Uani 0.314(2) 1 d D U P E 3
F3_20 F 0.8154(6) -0.1433(5) 0.6134(4) 0.044(2) Uani 0.314(2) 1 d D U P E 3
C3_20 C 0.7514(7) -0.1050(6) 0.4848(4) 0.029(2) Uani 0.314(2) 1 d D U P E 3
F4_20 F 0.7920(6) -0.0658(4) 0.4455(4) 0.0394(18) Uani 0.314(2) 1 d D U P E 3
F5_20 F 0.7786(4) -0.1720(3) 0.4904(3) 0.0483(18) Uani 0.314(2) 1 d D U P E 3
F6_20 F 0.6652(9) -0.1255(16) 0.4570(15) 0.041(5) Uani 0.314(2) 1 d D U P E 3
C4_20 C 0.7111(5) 0.0093(5) 0.5396(4) 0.0268(18) Uani 0.314(2) 1 d D U P E 3
F7_20 F 0.7070(4) 0.0403(4) 0.4879(3) 0.0377(14) Uani 0.314(2) 1 d D U P E 3
F8_20 F 0.6287(7) -0.0246(12) 0.5400(8) 0.044(5) Uani 0.314(2) 1 d D U P E 3
F9_20 F 0.7419(9) 0.0677(6) 0.5861(4) 0.0440(19) Uani 0.314(2) 1 d D U P E 3
O1_21 O 0.4920(7) 0.6447(6) -0.0366(4) 0.0294(9) Uani 0.244(3) 1 d D U P D 2
C1_21 C 0.4816(10) 0.7054(9) -0.0714(7) 0.0207(7) Uani 0.244(3) 1 d D U P D 2
C2_21 C 0.4767(13) 0.7782(9) -0.0293(8) 0.022(4) Uani 0.244(3) 1 d D U P D 2
F1_21 F 0.424(2) 0.7504(19) 0.0075(15) 0.060(6) Uani 0.244(3) 1 d D U P D 2
F2_21 F 0.4434(11) 0.8320(12) -0.0588(11) 0.042(4) Uani 0.244(3) 1 d D U P D 2
F3_21 F 0.5521(15) 0.8100(13) 0.0110(8) 0.052(6) Uani 0.244(3) 1 d D U P D 2
C3_21 C 0.5600(8) 0.7234(7) -0.1036(5) 0.028(3) Uani 0.244(3) 1 d D U P D 2
F4_21 F 0.5450(14) 0.6680(8) -0.1504(6) 0.061(5) Uani 0.244(3) 1 d D U P D 2
F5_21 F 0.6344(6) 0.7272(6) -0.0656(5) 0.039(2) Uani 0.244(3) 1 d D U P D 2
F6_21 F 0.5600(7) 0.7926(6) -0.1263(5) 0.031(2) Uani 0.244(3) 1 d D U P D 2
C4_21 C 0.3913(8) 0.6810(8) -0.1180(6) 0.042(2) Uani 0.244(3) 1 d D U P D 2
F7_21 F 0.3734(11) 0.6081(6) -0.1475(5) 0.0649(13) Uani 0.244(3) 1 d D U P D 2
F8_21 F 0.3825(9) 0.7298(6) -0.1601(5) 0.0639(14) Uani 0.244(3) 1 d D U P D 2
F9_21 F 0.3234(6) 0.6832(8) -0.0922(6) 0.067(3) Uani 0.244(3) 1 d D U P D 2
O1_22 O 0.3596(3) 0.5402(4) 0.0294(3) 0.0183(11) Uani 0.564(14) 1 d D U P D 2
C1_22 C 0.2808(6) 0.5431(6) 0.0430(4) 0.0195(17) Uani 0.564(14) 1 d D U P D 2
C2_22 C 0.2064(5) 0.5197(6) -0.0174(3) 0.0250(15) Uani 0.564(14) 1 d D U P D 2
F1_22 F 0.1875(9) 0.4428(6) -0.0369(6) 0.0364(17) Uani 0.564(14) 1 d D U P D 2
F2_22 F 0.1309(4) 0.5399(5) -0.0114(3) 0.0415(14) Uani 0.564(14) 1 d D U P D 2
F3_22 F 0.2320(4) 0.5573(4) -0.0632(2) 0.0292(12) Uani 0.564(14) 1 d D U P D 2
C3_22 C 0.2812(7) 0.6278(5) 0.0717(3) 0.0223(17) Uani 0.564(14) 1 d D U P D 2
F4_22 F 0.3595(7) 0.6604(8) 0.1095(5) 0.0290(17) Uani 0.564(14) 1 d D U P D 2
F5_22 F 0.2673(6) 0.6771(8) 0.0295(5) 0.0341(16) Uani 0.564(14) 1 d D U P D 2
F6_22 F 0.2210(9) 0.6276(12) 0.1059(6) 0.0307(19) Uani 0.564(14) 1 d D U P D 2
C4_22 C 0.2631(5) 0.4816(4) 0.0889(3) 0.0300(15) Uani 0.564(14) 1 d D U P D 2
F7_22 F 0.3128(5) 0.5117(4) 0.1451(2) 0.0405(13) Uani 0.564(14) 1 d D U P D 2
F8_22 F 0.1791(4) 0.4659(3) 0.0925(2) 0.0419(14) Uani 0.564(14) 1 d D U P D 2
F9_22 F 0.2816(5) 0.4143(2) 0.0722(2) 0.0433(13) Uani 0.564(14) 1 d D U P D 2
O1_23 O 0.5183(5) 0.6266(7) 0.0910(4) 0.0256(18) Uani 0.396(17) 1 d D U P D 2
C1_23 C 0.5936(8) 0.6508(8) 0.1361(6) 0.019(2) Uani 0.396(17) 1 d D U P D 2
C2_23 C 0.6737(7) 0.6334(9) 0.1125(6) 0.024(3) Uani 0.396(17) 1 d D U P D 2
F1_23 F 0.6741(15) 0.5558(8) 0.1072(10) 0.037(3) Uani 0.396(17) 1 d D U P D 2
F2_23 F 0.7520(6) 0.6712(8) 0.1485(5) 0.039(2) Uani 0.396(17) 1 d D U P D 2
F3_23 F 0.6711(9) 0.6536(8) 0.0565(5) 0.036(2) Uani 0.396(17) 1 d D U P D 2
C3_23 C 0.6098(10) 0.7410(6) 0.1555(5) 0.022(2) Uani 0.396(17) 1 d D U P D 2
F4_23 F 0.5354(13) 0.7632(17) 0.1616(11) 0.033(3) Uani 0.396(17) 1 d D U P D 2
F5_23 F 0.6414(10) 0.7833(7) 0.1155(6) 0.048(3) Uani 0.396(17) 1 d D U P D 2
F6_23 F 0.6664(14) 0.7625(13) 0.2101(7) 0.039(3) Uani 0.396(17) 1 d D U P D 2
C4_23 C 0.5827(9) 0.6030(6) 0.1909(5) 0.033(2) Uani 0.396(17) 1 d D U P D 2
F7_23 F 0.5294(8) 0.6312(7) 0.2219(5) 0.042(2) Uani 0.396(17) 1 d D U P D 2
F8_23 F 0.6589(10) 0.6086(8) 0.2310(4) 0.050(3) Uani 0.396(17) 1 d D U P D 2
F9_23 F 0.5469(10) 0.5273(4) 0.1722(7) 0.056(3) Uani 0.396(17) 1 d D U P D 2
O1_24 O 0.4811(12) 0.6335(12) -0.0441(8) 0.0294(9) Uani 0.111(2) 1 d D U P D 3
C1_24 C 0.4584(12) 0.6920(12) -0.0788(8) 0.032(3) Uani 0.111(2) 1 d D U P D 3
C2_24 C 0.4936(11) 0.7723(12) -0.0371(8) 0.022(4) Uani 0.111(2) 1 d D U P D 3
F1_24 F 0.4712(12) 0.7685(11) 0.0179(8) 0.025(4) Uani 0.111(2) 1 d D U P D 3
F2_24 F 0.472(3) 0.838(3) -0.057(2) 0.0428(14) Uani 0.111(2) 1 d D U P D 3
F3_24 F 0.5826(9) 0.7898(12) -0.0198(9) 0.068(7) Uani 0.111(2) 1 d D U P D 3
C3_24 C 0.5004(13) 0.6848(11) -0.1354(7) 0.060(6) Uani 0.111(2) 1 d D U P D 3
F4_24 F 0.445(2) 0.6299(13) -0.1765(10) 0.091(8) Uani 0.111(2) 1 d D U P D 3
F5_24 F 0.5767(17) 0.666(2) -0.1217(18) 0.115(14) Uani 0.111(2) 1 d D U P D 3
F6_24 F 0.506(2) 0.7544(13) -0.1565(11) 0.088(9) Uani 0.111(2) 1 d D U P D 3
C4_24 C 0.3568(11) 0.6795(10) -0.0966(8) 0.038(2) Uani 0.111(2) 1 d D U P D 3
F7_24 F 0.3107(15) 0.6073(9) -0.1183(8) 0.075(7) Uani 0.111(2) 1 d D U P D 3
F8_24 F 0.3341(13) 0.7250(10) -0.1387(8) 0.034(5) Uani 0.111(2) 1 d D U P D 3
F9_24 F 0.3191(11) 0.7044(11) -0.0531(8) 0.040(4) Uani 0.111(2) 1 d D U P D 3
O1_19 O -0.0232(6) 0.4610(5) 0.2418(4) 0.0200(5) Uani 0.189(3) 1 d D U P B 2
C1_19 C 0.0492(9) 0.5237(9) 0.2555(7) 0.0226(6) Uani 0.189(3) 1 d D U P B 2
C2_19 C 0.0304(10) 0.5904(7) 0.2967(6) 0.029(3) Uani 0.189(3) 1 d D U P B 2
F1_19 F -0.0322(9) 0.6184(11) 0.2627(7) 0.042(4) Uani 0.189(3) 1 d D U P B 2
F2_19 F 0.0997(8) 0.6484(8) 0.3220(8) 0.066(4) Uani 0.189(3) 1 d D U P B 2
F3_19 F -0.0029(10) 0.5636(6) 0.3421(5) 0.052(4) Uani 0.189(3) 1 d D U P B 2
C3_19 C 0.1304(6) 0.4957(7) 0.2906(5) 0.034(3) Uani 0.189(3) 1 d D U P B 2
F4_19 F 0.1372(15) 0.4297(9) 0.2600(8) 0.053(4) Uani 0.189(3) 1 d D U P B 2
F5_19 F 0.1231(8) 0.4787(8) 0.3460(4) 0.055(3) Uani 0.189(3) 1 d D U P B 2
F6_19 F 0.2069(6) 0.5479(7) 0.2945(7) 0.052(3) Uani 0.189(3) 1 d D U P B 2
C4_19 C 0.0657(8) 0.5528(8) 0.1946(6) 0.040(3) Uani 0.189(3) 1 d D U P B 2
F7_19 F 0.0970(11) 0.4998(7) 0.1651(7) 0.076(5) Uani 0.189(3) 1 d D U P B 2
F8_19 F 0.1230(7) 0.6203(6) 0.2029(6) 0.066(4) Uani 0.189(3) 1 d D U P B 2
F9_19 F -0.0092(8) 0.5617(9) 0.1603(5) 0.059(3) Uani 0.189(3) 1 d D U P B 2
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'
Al Al 0.0645 0.0514 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1_1 W1 C6 144.56(10) . . ?
O1_18 W1 C6 145.8(2) . . ?
O1_1 W1 C5 145.41(10) . . ?
O1_18 W1 C5 141.4(3) . . ?
C6 W1 C5 68.26(11) . . ?
O1_1 W1 C2 75.96(10) . . ?
O1_18 W1 C2 91.6(2) . . ?
C6 W1 C2 116.75(11) . . ?
C5 W1 C2 76.87(10) . . ?
O1_1 W1 C4 90.78(10) . . ?
O1_18 W1 C4 74.9(2) . . ?
C6 W1 C4 75.61(10) . . ?
C5 W1 C4 114.38(10) . . ?
C2 W1 C4 166.51(10) . . ?
O1_1 W1 C3 91.33(10) . . ?
O1_18 W1 C3 73.0(3) . . ?
C6 W1 C3 116.16(11) . . ?
C5 W1 C3 73.26(11) . . ?
C2 W1 C3 100.87(10) . . ?
C4 W1 C3 76.61(10) . . ?
O1_1 W1 C1 75.10(11) . . ?
O1_18 W1 C1 93.0(3) . . ?
C6 W1 C1 75.31(11) . . ?
C5 W1 C1 119.92(11) . . ?
C2 W1 C1 79.25(10) . . ?
C4 W1 C1 99.97(10) . . ?
C3 W1 C1 166.05(11) . . ?
O1 C1 W1 175.3(3) . . ?
Al1 F1 Al1 180.0 . 2_665 ?
O1_8 Al1 O1_7 123.2(4) . . ?
O1_8 Al1 O1_6 99.4(3) . . ?
O1_7 Al1 O1_6 111.7(2) . . ?
O1_23 Al1 O1_21 111.5(5) . . ?
O1_23 Al1 O1_22 101.9(4) . . ?
O1_21 Al1 O1_22 133.2(4) . . ?
O1_8 Al1 F1 108.0(3) . . ?
O1_7 Al1 F1 109.25(18) . . ?
O1_6 Al1 F1 103.34(18) . . ?
O1_24 Al1 F1 97.6(8) . . ?
O1_23 Al1 F1 107.0(3) . . ?
O1_21 Al1 F1 101.3(4) . . ?
O1_22 Al1 F1 99.1(2) . . ?
O2 C2 W1 174.4(2) . . ?
Al2 F2 Al2 180.00(4) . 2_666 ?
O1_4 Al2 O1_5 111.52(9) . . ?
O1_4 Al2 O1_17 116.1(6) . . ?
O1_5 Al2 O1_17 111.6(6) . . ?
O1_4 Al2 O1_3 118.7(3) . . ?
O1_5 Al2 O1_3 111.2(3) . . ?
O1_4 Al2 F2 106.78(7) . . ?
O1_5 Al2 F2 107.59(7) . . ?
O1_17 Al2 F2 102.3(5) . . ?
O1_3 Al2 F2 99.8(2) . . ?
O1_2 W2 C11 145.61(10) . . ?
O1_19 W2 C11 143.2(3) . . ?
O1_2 W2 C12 145.48(10) . . ?
O1_19 W2 C12 144.8(3) . . ?
C11 W2 C12 67.75(11) . . ?
O1_2 W2 C7 90.21(10) . . ?
O1_19 W2 C7 75.2(3) . . ?
C11 W2 C7 114.43(11) . . ?
C12 W2 C7 74.53(10) . . ?
O1_2 W2 C10 87.17(10) . . ?
O1_19 W2 C10 71.9(3) . . ?
C11 W2 C10 75.20(11) . . ?
C12 W2 C10 118.89(11) . . ?
C7 W2 C10 79.18(10) . . ?
O1_2 W2 C8 78.47(10) . . ?
O1_19 W2 C8 94.3(3) . . ?
C11 W2 C8 116.32(11) . . ?
C12 W2 C8 74.90(11) . . ?
C7 W2 C8 102.09(10) . . ?
C10 W2 C8 165.58(10) . . ?
O1_2 W2 C9 76.42(10) . . ?
O1_19 W2 C9 91.5(3) . . ?
C11 W2 C9 77.39(11) . . ?
C12 W2 C9 117.35(10) . . ?
C7 W2 C9 166.58(10) . . ?
C10 W2 C9 98.76(10) . . ?
C8 W2 C9 76.62(10) . . ?
O1_13 Al4 O1_14 112.77(10) . . ?
O1_13 Al4 O1_12 114.00(11) . . ?
O1_14 Al4 O1_12 115.34(11) . . ?
O1_13 Al4 F4 104.87(7) . . ?
O1_14 Al4 F4 107.66(8) . . ?
O1_12 Al4 F4 100.64(8) . . ?
O4 C4 W1 177.4(2) . . ?
Al4 F4 Al4 180.00(2) 2_575 . ?
O1_10 Al3 O1_11 118.2(2) . . ?
O1_20 Al3 O1_11 112.8(6) . . ?
O1_15 Al3 O1_11 114.2(13) . . ?
O1_10 Al3 O1_9 113.2(4) . . ?
O1_11 Al3 O1_9 111.7(4) . . ?
O1_15 Al3 O1_16 109.0(15) . . ?
O1_11 Al3 O1_16 119.3(6) . . ?
O1_10 Al3 F3 105.6(2) . . ?
O1_20 Al3 F3 113.0(6) . . ?
O1_15 Al3 F3 107.5(16) . . ?
O1_11 Al3 F3 99.66(7) . . ?
O1_9 Al3 F3 106.7(4) . . ?
O1_16 Al3 F3 105.9(6) . . ?
O3 C3 W1 177.5(2) . . ?
Al3 F3 Al3 180.0 2_756 . ?
O6 C6 W1 177.4(2) . . ?
O5 C5 W1 176.8(3) . . ?
O12 C12 W2 177.8(3) . . ?
O11 C11 W2 178.3(3) . . ?
O10 C10 W2 176.3(2) . . ?
O9 C9 W2 174.8(3) . . ?
O8 C8 W2 176.2(2) . . ?
O7 C7 W2 179.4(2) . . ?
C1_1 O1_1 W1 154.0(3) . . ?
O1_1 C1_1 C2_1 109.7(4) . . ?
O1_1 C1_1 C4_1 111.4(4) . . ?
C2_1 C1_1 C4_1 111.2(4) . . ?
O1_1 C1_1 C3_1 105.8(3) . . ?
C2_1 C1_1 C3_1 109.4(4) . . ?
C4_1 C1_1 C3_1 109.3(4) . . ?
F2_1 C2_1 F1_1 105.3(5) . . ?
F2_1 C2_1 F3_1 108.2(5) . . ?
F1_1 C2_1 F3_1 106.8(6) . . ?
F2_1 C2_1 C1_1 114.3(5) . . ?
F1_1 C2_1 C1_1 111.2(5) . . ?
F3_1 C2_1 C1_1 110.7(5) . . ?
F4_1 C3_1 F5_1 106.1(5) . . ?
F4_1 C3_1 F6_1 110.6(4) . . ?
F5_1 C3_1 F6_1 107.0(4) . . ?
F4_1 C3_1 C1_1 110.2(4) . . ?
F5_1 C3_1 C1_1 110.9(4) . . ?
F6_1 C3_1 C1_1 111.8(4) . . ?
F7_1 C4_1 F9_1 106.7(4) . . ?
F7_1 C4_1 F8_1 109.8(4) . . ?
F9_1 C4_1 F8_1 106.9(4) . . ?
F7_1 C4_1 C1_1 110.4(4) . . ?
F9_1 C4_1 C1_1 110.1(4) . . ?
F8_1 C4_1 C1_1 112.8(4) . . ?
C1_2 O1_2 W2 153.5(2) . . ?
O1_2 C1_2 C3_2 114.0(3) . . ?
O1_2 C1_2 C4_2 108.6(4) . . ?
C3_2 C1_2 C4_2 110.2(4) . . ?
O1_2 C1_2 C2_2 105.4(3) . . ?
C3_2 C1_2 C2_2 106.9(3) . . ?
C4_2 C1_2 C2_2 111.6(4) . . ?
F2_2 C2_2 F3_2 109.3(4) . . ?
F2_2 C2_2 F1_2 109.2(5) . . ?
F3_2 C2_2 F1_2 105.8(4) . . ?
F2_2 C2_2 C1_2 113.9(4) . . ?
F3_2 C2_2 C1_2 108.3(4) . . ?
F1_2 C2_2 C1_2 110.0(4) . . ?
F6_2 C3_2 F5_2 108.9(3) . . ?
F6_2 C3_2 F4_2 106.2(3) . . ?
F5_2 C3_2 F4_2 103.9(3) . . ?
F6_2 C3_2 C1_2 114.3(3) . . ?
F5_2 C3_2 C1_2 112.3(3) . . ?
F4_2 C3_2 C1_2 110.5(3) . . ?
F7_2 C4_2 F9_2 109.8(6) . . ?
F7_2 C4_2 F8_2 110.3(5) . . ?
F9_2 C4_2 F8_2 104.2(4) . . ?
F7_2 C4_2 C1_2 110.9(5) . . ?
F9_2 C4_2 C1_2 110.8(4) . . ?
F8_2 C4_2 C1_2 110.6(5) . . ?
C1_3 O1_3 Al2 143.1(6) . . ?
O1_3 C1_3 C3_3 108.0(5) . . ?
O1_3 C1_3 C2_3 111.9(5) . . ?
C3_3 C1_3 C2_3 108.6(5) . . ?
O1_3 C1_3 C4_3 110.5(6) . . ?
C3_3 C1_3 C4_3 109.6(5) . . ?
C2_3 C1_3 C4_3 108.3(5) . . ?
F3_3 C2_3 F1_3 107.2(5) . . ?
F3_3 C2_3 F2_3 108.5(5) . . ?
F1_3 C2_3 F2_3 106.5(5) . . ?
F3_3 C2_3 C1_3 109.2(5) . . ?
F1_3 C2_3 C1_3 111.8(5) . . ?
F2_3 C2_3 C1_3 113.4(4) . . ?
F5_3 C3_3 F4_3 107.6(6) . . ?
F5_3 C3_3 F6_3 105.9(6) . . ?
F4_3 C3_3 F6_3 107.7(7) . . ?
F5_3 C3_3 C1_3 111.1(5) . . ?
F4_3 C3_3 C1_3 110.5(6) . . ?
F6_3 C3_3 C1_3 113.7(6) . . ?
F9_3 C4_3 F7_3 107.4(7) . . ?
F9_3 C4_3 F8_3 108.6(8) . . ?
F7_3 C4_3 F8_3 108.3(5) . . ?
F9_3 C4_3 C1_3 110.2(7) . . ?
F7_3 C4_3 C1_3 110.9(5) . . ?
F8_3 C4_3 C1_3 111.2(5) . . ?
C1_4 O1_4 Al2 150.46(16) . . ?
O1_4 C1_4 C3_4 109.3(2) . . ?
O1_4 C1_4 C2_4 110.8(2) . . ?
C3_4 C1_4 C2_4 108.8(2) . . ?
O1_4 C1_4 C4_4 108.07(19) . . ?
C3_4 C1_4 C4_4 110.1(2) . . ?
C2_4 C1_4 C4_4 109.8(2) . . ?
F1_4 C2_4 F3_4 107.5(2) . . ?
F1_4 C2_4 F2_4 107.9(2) . . ?
F3_4 C2_4 F2_4 107.8(2) . . ?
F1_4 C2_4 C1_4 111.4(2) . . ?
F3_4 C2_4 C1_4 109.8(2) . . ?
F2_4 C2_4 C1_4 112.2(2) . . ?
F4_4 C3_4 F5_4 108.1(2) . . ?
F4_4 C3_4 F6_4 107.0(2) . . ?
F5_4 C3_4 F6_4 107.2(2) . . ?
F4_4 C3_4 C1_4 111.7(2) . . ?
F5_4 C3_4 C1_4 110.6(2) . . ?
F6_4 C3_4 C1_4 111.9(2) . . ?
F9_4 C4_4 F7_4 108.1(2) . . ?
F9_4 C4_4 F8_4 108.4(2) . . ?
F7_4 C4_4 F8_4 107.4(2) . . ?
F9_4 C4_4 C1_4 110.9(2) . . ?
F7_4 C4_4 C1_4 110.6(2) . . ?
F8_4 C4_4 C1_4 111.2(2) . . ?
C1_5 O1_5 Al2 146.88(16) . . ?
O1_5 C1_5 C4_5 107.18(19) . . ?
O1_5 C1_5 C2_5 110.57(19) . . ?
C4_5 C1_5 C2_5 110.2(2) . . ?
O1_5 C1_5 C3_5 110.8(2) . . ?
C4_5 C1_5 C3_5 109.56(19) . . ?
C2_5 C1_5 C3_5 108.5(2) . . ?
F2_5 C2_5 F3_5 108.1(2) . . ?
F2_5 C2_5 F1_5 107.3(2) . . ?
F3_5 C2_5 F1_5 107.1(2) . . ?
F2_5 C2_5 C1_5 113.0(2) . . ?
F3_5 C2_5 C1_5 110.05(19) . . ?
F1_5 C2_5 C1_5 111.1(2) . . ?
F6_5 C3_5 F4_5 107.8(2) . . ?
F6_5 C3_5 F5_5 107.8(2) . . ?
F4_5 C3_5 F5_5 107.2(2) . . ?
F6_5 C3_5 C1_5 112.5(2) . . ?
F4_5 C3_5 C1_5 110.4(2) . . ?
F5_5 C3_5 C1_5 110.9(2) . . ?
F7_5 C4_5 F8_5 108.0(2) . . ?
F7_5 C4_5 F9_5 107.4(2) . . ?
F8_5 C4_5 F9_5 107.9(2) . . ?
F7_5 C4_5 C1_5 110.5(2) . . ?
F8_5 C4_5 C1_5 112.1(2) . . ?
F9_5 C4_5 C1_5 110.74(19) . . ?
C1_6 O1_6 Al1 147.4(4) . . ?
O1_6 C1_6 C4_6 112.6(5) . . ?
O1_6 C1_6 C3_6 110.3(5) . . ?
C4_6 C1_6 C3_6 107.9(5) . . ?
O1_6 C1_6 C2_6 107.0(4) . . ?
C4_6 C1_6 C2_6 111.3(5) . . ?
C3_6 C1_6 C2_6 107.6(5) . . ?
F2_6 C2_6 F3_6 105.8(5) . . ?
F2_6 C2_6 F1_6 108.4(5) . . ?
F3_6 C2_6 F1_6 108.9(5) . . ?
F2_6 C2_6 C1_6 114.7(4) . . ?
F3_6 C2_6 C1_6 110.1(5) . . ?
F1_6 C2_6 C1_6 108.9(5) . . ?
F4_6 C3_6 F5_6 107.1(6) . . ?
F4_6 C3_6 F6_6 107.9(5) . . ?
F5_6 C3_6 F6_6 108.5(6) . . ?
F4_6 C3_6 C1_6 109.6(5) . . ?
F5_6 C3_6 C1_6 111.0(6) . . ?
F6_6 C3_6 C1_6 112.6(6) . . ?
F7_6 C4_6 F9_6 108.6(7) . . ?
F7_6 C4_6 F8_6 106.6(7) . . ?
F9_6 C4_6 F8_6 107.5(7) . . ?
F7_6 C4_6 C1_6 111.4(6) . . ?
F9_6 C4_6 C1_6 111.5(8) . . ?
F8_6 C4_6 C1_6 111.1(7) . . ?
C1_7 O1_7 Al1 148.0(5) . . ?
O1_7 C1_7 C2_7 110.7(6) . . ?
O1_7 C1_7 C4_7 110.2(6) . . ?
C2_7 C1_7 C4_7 109.5(6) . . ?
O1_7 C1_7 C3_7 108.1(6) . . ?
C2_7 C1_7 C3_7 109.0(7) . . ?
C4_7 C1_7 C3_7 109.4(6) . . ?
F3_7 C2_7 F2_7 108.7(6) . . ?
F3_7 C2_7 F1_7 109.2(8) . . ?
F2_7 C2_7 F1_7 107.9(6) . . ?
F3_7 C2_7 C1_7 109.8(6) . . ?
F2_7 C2_7 C1_7 112.4(7) . . ?
F1_7 C2_7 C1_7 108.9(9) . . ?
F5_7 C3_7 F6_7 109.6(8) . . ?
F5_7 C3_7 F4_7 107.1(8) . . ?
F6_7 C3_7 F4_7 107.1(9) . . ?
F5_7 C3_7 C1_7 111.3(7) . . ?
F6_7 C3_7 C1_7 112.6(9) . . ?
F4_7 C3_7 C1_7 109.0(11) . . ?
F8_7 C4_7 F9_7 107.7(6) . . ?
F8_7 C4_7 F7_7 107.4(5) . . ?
F9_7 C4_7 F7_7 107.2(6) . . ?
F8_7 C4_7 C1_7 112.4(6) . . ?
F9_7 C4_7 C1_7 110.0(5) . . ?
F7_7 C4_7 C1_7 111.8(6) . . ?
C1_8 O1_8 Al1 153.6(8) . . ?
O1_8 C1_8 C4_8 110.0(8) . . ?
O1_8 C1_8 C2_8 108.9(8) . . ?
C4_8 C1_8 C2_8 110.6(9) . . ?
O1_8 C1_8 C3_8 110.0(8) . . ?
C4_8 C1_8 C3_8 109.4(9) . . ?
C2_8 C1_8 C3_8 107.9(9) . . ?
F2_8 C2_8 F1_8 108.6(9) . . ?
F2_8 C2_8 F3_8 110.6(9) . . ?
F1_8 C2_8 F3_8 107.6(11) . . ?
F2_8 C2_8 C1_8 111.3(10) . . ?
F1_8 C2_8 C1_8 108.7(12) . . ?
F3_8 C2_8 C1_8 110.0(8) . . ?
F5_8 C3_8 F6_8 109.2(13) . . ?
F5_8 C3_8 F4_8 106.3(9) . . ?
F6_8 C3_8 F4_8 109.0(12) . . ?
F5_8 C3_8 C1_8 110.3(12) . . ?
F6_8 C3_8 C1_8 112.0(14) . . ?
F4_8 C3_8 C1_8 110.0(11) . . ?
F9_8 C4_8 F8_8 107.8(8) . . ?
F9_8 C4_8 F7_8 108.3(8) . . ?
F8_8 C4_8 F7_8 105.9(7) . . ?
F9_8 C4_8 C1_8 110.5(8) . . ?
F8_8 C4_8 C1_8 113.1(8) . . ?
F7_8 C4_8 C1_8 111.0(8) . . ?
C1_9 O1_9 Al3 146.7(7) . . ?
O1_9 C1_9 C4_9 107.0(6) . . ?
O1_9 C1_9 C2_9 112.2(6) . . ?
C4_9 C1_9 C2_9 108.9(5) . . ?
O1_9 C1_9 C3_9 111.5(6) . . ?
C4_9 C1_9 C3_9 109.4(5) . . ?
C2_9 C1_9 C3_9 107.7(5) . . ?
F3_9 C2_9 F1_9 106.6(5) . . ?
F3_9 C2_9 F2_9 108.1(6) . . ?
F1_9 C2_9 F2_9 105.2(6) . . ?
F3_9 C2_9 C1_9 110.6(6) . . ?
F1_9 C2_9 C1_9 112.2(6) . . ?
F2_9 C2_9 C1_9 113.7(6) . . ?
F5_9 C3_9 F4_9 107.3(6) . . ?
F5_9 C3_9 F6_9 107.2(7) . . ?
F4_9 C3_9 F6_9 108.9(8) . . ?
F5_9 C3_9 C1_9 110.8(5) . . ?
F4_9 C3_9 C1_9 109.2(7) . . ?
F6_9 C3_9 C1_9 113.2(8) . . ?
F8_9 C4_9 F7_9 106.3(5) . . ?
F8_9 C4_9 F9_9 110.1(7) . . ?
F7_9 C4_9 F9_9 107.7(5) . . ?
F8_9 C4_9 C1_9 111.6(8) . . ?
F7_9 C4_9 C1_9 110.4(6) . . ?
F9_9 C4_9 C1_9 110.6(5) . . ?
C1_10 O1_10 Al3 156.2(5) . . ?
O1_10 C1_10 C3_10 108.9(4) . . ?
O1_10 C1_10 C4_10 110.4(5) . . ?
C3_10 C1_10 C4_10 109.4(4) . . ?
O1_10 C1_10 C2_10 109.3(4) . . ?
C3_10 C1_10 C2_10 109.1(4) . . ?
C4_10 C1_10 C2_10 109.7(4) . . ?
F1_10 C2_10 F3_10 108.4(4) . . ?
F1_10 C2_10 F2_10 108.3(3) . . ?
F3_10 C2_10 F2_10 107.9(4) . . ?
F1_10 C2_10 C1_10 111.3(3) . . ?
F3_10 C2_10 C1_10 109.3(4) . . ?
F2_10 C2_10 C1_10 111.5(3) . . ?
F5_10 C3_10 F4_10 107.3(4) . . ?
F5_10 C3_10 F6_10 108.0(4) . . ?
F4_10 C3_10 F6_10 107.3(5) . . ?
F5_10 C3_10 C1_10 111.5(4) . . ?
F4_10 C3_10 C1_10 110.1(5) . . ?
F6_10 C3_10 C1_10 112.4(3) . . ?
F7_10 C4_10 F8_10 107.1(4) . . ?
F7_10 C4_10 F9_10 108.4(4) . . ?
F8_10 C4_10 F9_10 108.4(6) . . ?
F7_10 C4_10 C1_10 110.4(3) . . ?
F8_10 C4_10 C1_10 112.1(5) . . ?
F9_10 C4_10 C1_10 110.4(5) . . ?
C1_11 O1_11 Al3 143.40(17) . . ?
O1_11 C1_11 C4_11 109.2(2) . . ?
O1_11 C1_11 C3_11 111.1(2) . . ?
C4_11 C1_11 C3_11 108.8(2) . . ?
O1_11 C1_11 C2_11 108.3(2) . . ?
C4_11 C1_11 C2_11 109.9(2) . . ?
C3_11 C1_11 C2_11 109.5(2) . . ?
F3_11 C2_11 F2_11 108.0(3) . . ?
F3_11 C2_11 F1_11 107.8(3) . . ?
F2_11 C2_11 F1_11 108.3(3) . . ?
F3_11 C2_11 C1_11 110.6(2) . . ?
F2_11 C2_11 C1_11 112.0(2) . . ?
F1_11 C2_11 C1_11 110.0(2) . . ?
F6_11 C3_11 F4_11 107.6(2) . . ?
F6_11 C3_11 F5_11 108.2(2) . . ?
F4_11 C3_11 F5_11 106.5(2) . . ?
F6_11 C3_11 C1_11 113.1(2) . . ?
F4_11 C3_11 C1_11 109.4(2) . . ?
F5_11 C3_11 C1_11 111.7(2) . . ?
F9_11 C4_11 F7_11 107.9(3) . . ?
F9_11 C4_11 F8_11 107.9(2) . . ?
F7_11 C4_11 F8_11 107.9(2) . . ?
F9_11 C4_11 C1_11 110.6(2) . . ?
F7_11 C4_11 C1_11 110.0(2) . . ?
F8_11 C4_11 C1_11 112.4(2) . . ?
C1_12 O1_12 Al4 148.18(18) . . ?
O1_12 C1_12 C3_12 109.8(2) . . ?
O1_12 C1_12 C2_12 111.43(19) . . ?
C3_12 C1_12 C2_12 109.9(2) . . ?
O1_12 C1_12 C4_12 107.3(2) . . ?
C3_12 C1_12 C4_12 109.4(2) . . ?
C2_12 C1_12 C4_12 109.0(2) . . ?
F2_12 C2_12 F1_12 107.6(2) . . ?
F2_12 C2_12 F3_12 108.4(2) . . ?
F1_12 C2_12 F3_12 106.5(2) . . ?
F2_12 C2_12 C1_12 112.7(2) . . ?
F1_12 C2_12 C1_12 111.6(2) . . ?
F3_12 C2_12 C1_12 109.7(2) . . ?
F4_12 C3_12 F6_12 106.5(2) . . ?
F4_12 C3_12 F5_12 107.6(2) . . ?
F6_12 C3_12 F5_12 107.2(2) . . ?
F4_12 C3_12 C1_12 111.2(2) . . ?
F6_12 C3_12 C1_12 113.8(2) . . ?
F5_12 C3_12 C1_12 110.3(2) . . ?
F9_12 C4_12 F7_12 107.6(2) . . ?
F9_12 C4_12 F8_12 107.9(2) . . ?
F7_12 C4_12 F8_12 107.9(2) . . ?
F9_12 C4_12 C1_12 111.2(2) . . ?
F7_12 C4_12 C1_12 110.5(2) . . ?
F8_12 C4_12 C1_12 111.7(2) . . ?
C1_13 O1_13 Al4 151.49(17) . . ?
O1_13 C1_13 C3_13 111.1(2) . . ?
O1_13 C1_13 C2_13 109.7(2) . . ?
C3_13 C1_13 C2_13 109.7(2) . . ?
O1_13 C1_13 C4_13 107.3(2) . . ?
C3_13 C1_13 C4_13 110.0(2) . . ?
C2_13 C1_13 C4_13 108.9(2) . . ?
F2_13 C2_13 F1_13 108.0(2) . . ?
F2_13 C2_13 F3_13 107.3(2) . . ?
F1_13 C2_13 F3_13 107.3(2) . . ?
F2_13 C2_13 C1_13 112.7(2) . . ?
F1_13 C2_13 C1_13 111.1(2) . . ?
F3_13 C2_13 C1_13 110.3(2) . . ?
F6_13 C3_13 F4_13 108.3(3) . . ?
F6_13 C3_13 F5_13 107.6(3) . . ?
F4_13 C3_13 F5_13 107.4(3) . . ?
F6_13 C3_13 C1_13 112.6(3) . . ?
F4_13 C3_13 C1_13 110.1(2) . . ?
F5_13 C3_13 C1_13 110.8(2) . . ?
F7_13 C4_13 F9_13 107.5(2) . . ?
F7_13 C4_13 F8_13 108.1(2) . . ?
F9_13 C4_13 F8_13 107.8(2) . . ?
F7_13 C4_13 C1_13 110.9(2) . . ?
F9_13 C4_13 C1_13 110.9(2) . . ?
F8_13 C4_13 C1_13 111.5(2) . . ?
C1_14 O1_14 Al4 151.87(18) . . ?
O1_14 C1_14 C2_14 111.5(2) . . ?
O1_14 C1_14 C3_14 109.3(2) . . ?
C2_14 C1_14 C3_14 109.1(2) . . ?
O1_14 C1_14 C4_14 108.1(2) . . ?
C2_14 C1_14 C4_14 109.7(2) . . ?
C3_14 C1_14 C4_14 109.2(2) . . ?
F2_14 C2_14 F3_14 109.1(2) . . ?
F2_14 C2_14 F1_14 108.1(2) . . ?
F3_14 C2_14 F1_14 106.9(2) . . ?
F2_14 C2_14 C1_14 112.8(2) . . ?
F3_14 C2_14 C1_14 109.5(2) . . ?
F1_14 C2_14 C1_14 110.3(2) . . ?
F5_14 C3_14 F6_14 108.2(2) . . ?
F5_14 C3_14 F4_14 106.9(2) . . ?
F6_14 C3_14 F4_14 106.8(2) . . ?
F5_14 C3_14 C1_14 111.5(2) . . ?
F6_14 C3_14 C1_14 112.4(2) . . ?
F4_14 C3_14 C1_14 110.8(2) . . ?
F8_14 C4_14 F9_14 108.0(3) . . ?
F8_14 C4_14 F7_14 108.0(2) . . ?
F9_14 C4_14 F7_14 107.1(3) . . ?
F8_14 C4_14 C1_14 112.6(2) . . ?
F9_14 C4_14 C1_14 110.5(2) . . ?
F7_14 C4_14 C1_14 110.5(2) . . ?
C1_15 O1_15 Al3 156(2) . . ?
O1_15 C1_15 C4_15 106.7(13) . . ?
O1_15 C1_15 C3_15 109.5(12) . . ?
C4_15 C1_15 C3_15 111.2(14) . . ?
O1_15 C1_15 C2_15 108.3(11) . . ?
C4_15 C1_15 C2_15 111.9(14) . . ?
C3_15 C1_15 C2_15 109.2(15) . . ?
F3_15 C2_15 F1_15 109(2) . . ?
F3_15 C2_15 F2_15 108(2) . . ?
F1_15 C2_15 F2_15 107.8(14) . . ?
F3_15 C2_15 C1_15 111.9(15) . . ?
F1_15 C2_15 C1_15 111(3) . . ?
F2_15 C2_15 C1_15 108(3) . . ?
F5_15 C3_15 F4_15 106.2(14) . . ?
F5_15 C3_15 F6_15 107(2) . . ?
F4_15 C3_15 F6_15 108(2) . . ?
F5_15 C3_15 C1_15 108(3) . . ?
F4_15 C3_15 C1_15 118(3) . . ?
F6_15 C3_15 C1_15 109(3) . . ?
F8_15 C4_15 F9_15 108(2) . . ?
F8_15 C4_15 F7_15 105.2(13) . . ?
F9_15 C4_15 F7_15 109(2) . . ?
F8_15 C4_15 C1_15 111.8(15) . . ?
F9_15 C4_15 C1_15 114(3) . . ?
F7_15 C4_15 C1_15 108(2) . . ?
C1_16 O1_16 Al3 150.7(13) . . ?
O1_16 C1_16 C3_16 110.2(11) . . ?
O1_16 C1_16 C2_16 110.3(10) . . ?
C3_16 C1_16 C2_16 109.9(9) . . ?
O1_16 C1_16 C4_16 105.1(10) . . ?
C3_16 C1_16 C4_16 110.5(9) . . ?
C2_16 C1_16 C4_16 110.7(9) . . ?
F3_16 C2_16 F1_16 111.5(11) . . ?
F3_16 C2_16 F2_16 107.1(14) . . ?
F1_16 C2_16 F2_16 105.5(9) . . ?
F3_16 C2_16 C1_16 108.9(10) . . ?
F1_16 C2_16 C1_16 111.4(9) . . ?
F2_16 C2_16 C1_16 112.3(13) . . ?
F5_16 C3_16 F4_16 106.9(9) . . ?
F5_16 C3_16 F6_16 107.9(9) . . ?
F4_16 C3_16 F6_16 106.0(13) . . ?
F5_16 C3_16 C1_16 112.7(8) . . ?
F4_16 C3_16 C1_16 111.3(13) . . ?
F6_16 C3_16 C1_16 111.6(8) . . ?
F7_16 C4_16 F8_16 105.9(10) . . ?
F7_16 C4_16 F9_16 109.1(14) . . ?
F8_16 C4_16 F9_16 105.9(10) . . ?
F7_16 C4_16 C1_16 113.7(12) . . ?
F8_16 C4_16 C1_16 110.6(8) . . ?
F9_16 C4_16 C1_16 111.3(10) . . ?
C1_17 O1_17 Al2 148.3(11) . . ?
O1_17 C1_17 C3_17 109.4(10) . . ?
O1_17 C1_17 C4_17 109.0(11) . . ?
C3_17 C1_17 C4_17 109.9(9) . . ?
O1_17 C1_17 C2_17 109.0(9) . . ?
C3_17 C1_17 C2_17 109.1(9) . . ?
C4_17 C1_17 C2_17 110.4(9) . . ?
F3_17 C2_17 F2_17 110.1(12) . . ?
F3_17 C2_17 F1_17 108.3(10) . . ?
F2_17 C2_17 F1_17 106.9(9) . . ?
F3_17 C2_17 C1_17 113.7(10) . . ?
F2_17 C2_17 C1_17 108.1(11) . . ?
F1_17 C2_17 C1_17 109.5(10) . . ?
F5_17 C3_17 F4_17 105.5(9) . . ?
F5_17 C3_17 F6_17 109.2(11) . . ?
F4_17 C3_17 F6_17 104.5(12) . . ?
F5_17 C3_17 C1_17 112.6(10) . . ?
F4_17 C3_17 C1_17 113.0(11) . . ?
F6_17 C3_17 C1_17 111.7(9) . . ?
F9_17 C4_17 F8_17 107.9(13) . . ?
F9_17 C4_17 F7_17 106.1(13) . . ?
F8_17 C4_17 F7_17 106.2(9) . . ?
F9_17 C4_17 C1_17 113.3(13) . . ?
F8_17 C4_17 C1_17 112.5(8) . . ?
F7_17 C4_17 C1_17 110.4(10) . . ?
C1_18 O1_18 W1 153.6(8) . . ?
O1_18 C1_18 C3_18 110.9(10) . . ?
O1_18 C1_18 C2_18 108.6(10) . . ?
C3_18 C1_18 C2_18 111.1(12) . . ?
O1_18 C1_18 C4_18 106.3(10) . . ?
C3_18 C1_18 C4_18 109.8(10) . . ?
C2_18 C1_18 C4_18 110.0(11) . . ?
F3_18 C2_18 F2_18 108.6(12) . . ?
F3_18 C2_18 F1_18 105.1(14) . . ?
F2_18 C2_18 F1_18 110.2(12) . . ?
F3_18 C2_18 C1_18 111.1(11) . . ?
F2_18 C2_18 C1_18 113.8(15) . . ?
F1_18 C2_18 C1_18 107.7(15) . . ?
F5_18 C3_18 F4_18 105.0(10) . . ?
F5_18 C3_18 F6_18 107.6(12) . . ?
F4_18 C3_18 F6_18 103.8(12) . . ?
F5_18 C3_18 C1_18 111.9(10) . . ?
F4_18 C3_18 C1_18 115.0(12) . . ?
F6_18 C3_18 C1_18 112.9(11) . . ?
F9_18 C4_18 F8_18 105.5(11) . . ?
F9_18 C4_18 F7_18 108.6(11) . . ?
F8_18 C4_18 F7_18 106.9(10) . . ?
F9_18 C4_18 C1_18 113.2(11) . . ?
F8_18 C4_18 C1_18 112.0(10) . . ?
F7_18 C4_18 C1_18 110.3(11) . . ?
C1_20 O1_20 Al3 152.2(12) . . ?
O1_20 C1_20 C2_20 109.2(9) . . ?
O1_20 C1_20 C4_20 108.3(10) . . ?
C2_20 C1_20 C4_20 110.8(9) . . ?
O1_20 C1_20 C3_20 110.0(10) . . ?
C2_20 C1_20 C3_20 109.8(9) . . ?
C4_20 C1_20 C3_20 108.8(9) . . ?
F3_20 C2_20 F1_20 108.5(8) . . ?
F3_20 C2_20 F2_20 107.0(11) . . ?
F1_20 C2_20 F2_20 104.5(8) . . ?
F3_20 C2_20 C1_20 110.7(8) . . ?
F1_20 C2_20 C1_20 110.9(8) . . ?
F2_20 C2_20 C1_20 114.8(10) . . ?
F5_20 C3_20 F4_20 107.8(8) . . ?
F5_20 C3_20 F6_20 106.5(14) . . ?
F4_20 C3_20 F6_20 106.3(14) . . ?
F5_20 C3_20 C1_20 112.9(8) . . ?
F4_20 C3_20 C1_20 110.1(9) . . ?
F6_20 C3_20 C1_20 112.9(17) . . ?
F7_20 C4_20 F8_20 105.9(9) . . ?
F7_20 C4_20 F9_20 108.9(8) . . ?
F8_20 C4_20 F9_20 108.7(12) . . ?
F7_20 C4_20 C1_20 112.9(8) . . ?
F8_20 C4_20 C1_20 110.9(11) . . ?
F9_20 C4_20 C1_20 109.4(9) . . ?
C1_21 O1_21 Al1 150.2(10) . . ?
O1_21 C1_21 C2_21 108.6(10) . . ?
O1_21 C1_21 C4_21 108.8(10) . . ?
C2_21 C1_21 C4_21 106.0(11) . . ?
O1_21 C1_21 C3_21 108.7(10) . . ?
C2_21 C1_21 C3_21 112.4(12) . . ?
C4_21 C1_21 C3_21 112.2(11) . . ?
F2_21 C2_21 F3_21 112.1(15) . . ?
F2_21 C2_21 F1_21 108.2(12) . . ?
F3_21 C2_21 F1_21 101.5(17) . . ?
F2_21 C2_21 C1_21 114.1(15) . . ?
F3_21 C2_21 C1_21 113.4(12) . . ?
F1_21 C2_21 C1_21 106.4(19) . . ?
F5_21 C3_21 F4_21 112.1(11) . . ?
F5_21 C3_21 F6_21 109.9(10) . . ?
F4_21 C3_21 F6_21 107.2(11) . . ?
F5_21 C3_21 C1_21 111.3(9) . . ?
F4_21 C3_21 C1_21 108.0(13) . . ?
F6_21 C3_21 C1_21 108.2(10) . . ?
F8_21 C4_21 F7_21 106.8(10) . . ?
F8_21 C4_21 F9_21 103.6(11) . . ?
F7_21 C4_21 F9_21 105.0(12) . . ?
F8_21 C4_21 C1_21 112.6(10) . . ?
F7_21 C4_21 C1_21 114.9(12) . . ?
F9_21 C4_21 C1_21 112.9(10) . . ?
C1_22 O1_22 Al1 151.6(6) . . ?
O1_22 C1_22 C3_22 111.3(7) . . ?
O1_22 C1_22 C4_22 108.1(6) . . ?
C3_22 C1_22 C4_22 110.1(6) . . ?
O1_22 C1_22 C2_22 108.8(6) . . ?
C3_22 C1_22 C2_22 109.2(7) . . ?
C4_22 C1_22 C2_22 109.4(6) . . ?
F1_22 C2_22 F2_22 107.7(7) . . ?
F1_22 C2_22 F3_22 105.9(7) . . ?
F2_22 C2_22 F3_22 106.8(6) . . ?
F1_22 C2_22 C1_22 113.0(8) . . ?
F2_22 C2_22 C1_22 112.6(6) . . ?
F3_22 C2_22 C1_22 110.4(6) . . ?
F5_22 C3_22 F4_22 106.8(7) . . ?
F5_22 C3_22 F6_22 108.1(10) . . ?
F4_22 C3_22 F6_22 105.8(8) . . ?
F5_22 C3_22 C1_22 112.5(9) . . ?
F4_22 C3_22 C1_22 110.4(8) . . ?
F6_22 C3_22 C1_22 112.9(11) . . ?
F9_22 C4_22 F8_22 107.3(5) . . ?
F9_22 C4_22 F7_22 109.7(6) . . ?
F8_22 C4_22 F7_22 107.8(5) . . ?
F9_22 C4_22 C1_22 111.1(6) . . ?
F8_22 C4_22 C1_22 111.7(5) . . ?
F7_22 C4_22 C1_22 109.1(6) . . ?
C1_23 O1_23 Al1 152.9(8) . . ?
O1_23 C1_23 C3_23 109.7(9) . . ?
O1_23 C1_23 C4_23 108.2(9) . . ?
C3_23 C1_23 C4_23 111.1(9) . . ?
O1_23 C1_23 C2_23 110.0(9) . . ?
C3_23 C1_23 C2_23 108.9(10) . . ?
C4_23 C1_23 C2_23 109.0(9) . . ?
F3_23 C2_23 F1_23 104.6(13) . . ?
F3_23 C2_23 F2_23 107.8(9) . . ?
F1_23 C2_23 F2_23 106.6(10) . . ?
F3_23 C2_23 C1_23 111.1(9) . . ?
F1_23 C2_23 C1_23 112.6(15) . . ?
F2_23 C2_23 C1_23 113.5(10) . . ?
F5_23 C3_23 F6_23 108.2(11) . . ?
F5_23 C3_23 F4_23 107.3(10) . . ?
F6_23 C3_23 F4_23 105.7(14) . . ?
F5_23 C3_23 C1_23 112.1(10) . . ?
F6_23 C3_23 C1_23 111.2(13) . . ?
F4_23 C3_23 C1_23 112.1(15) . . ?
F9_23 C4_23 F8_23 108.6(8) . . ?
F9_23 C4_23 F7_23 107.4(9) . . ?
F8_23 C4_23 F7_23 106.5(7) . . ?
F9_23 C4_23 C1_23 111.4(8) . . ?
F8_23 C4_23 C1_23 112.4(8) . . ?
F7_23 C4_23 C1_23 110.3(9) . . ?
C1_24 O1_24 Al1 142.9(15) . . ?
O1_24 C1_24 C4_24 109.4(13) . . ?
O1_24 C1_24 C2_24 107.1(11) . . ?
C4_24 C1_24 C2_24 106.5(12) . . ?
O1_24 C1_24 C3_24 105.6(10) . . ?
C4_24 C1_24 C3_24 113.3(12) . . ?
C2_24 C1_24 C3_24 114.7(13) . . ?
F2_24 C2_24 F3_24 106(2) . . ?
F2_24 C2_24 F1_24 104.9(14) . . ?
F3_24 C2_24 F1_24 101.7(14) . . ?
F2_24 C2_24 C1_24 120(3) . . ?
F3_24 C2_24 C1_24 111.3(13) . . ?
F1_24 C2_24 C1_24 111.9(15) . . ?
F5_24 C3_24 F4_24 109.7(14) . . ?
F5_24 C3_24 F6_24 112.0(19) . . ?
F4_24 C3_24 F6_24 109.5(17) . . ?
F5_24 C3_24 C1_24 113(2) . . ?
F4_24 C3_24 C1_24 107.3(16) . . ?
F6_24 C3_24 C1_24 105.3(13) . . ?
F8_24 C4_24 F7_24 105.9(12) . . ?
F8_24 C4_24 F9_24 100.3(14) . . ?
F7_24 C4_24 F9_24 105.4(16) . . ?
F8_24 C4_24 C1_24 109.8(13) . . ?
F7_24 C4_24 C1_24 117.6(16) . . ?
F9_24 C4_24 C1_24 116.1(14) . . ?
C1_19 O1_19 W2 152.9(8) . . ?
O1_19 C1_19 C2_19 108.9(10) . . ?
O1_19 C1_19 C4_19 108.1(10) . . ?
C2_19 C1_19 C4_19 111.0(11) . . ?
O1_19 C1_19 C3_19 109.4(10) . . ?
C2_19 C1_19 C3_19 109.1(11) . . ?
C4_19 C1_19 C3_19 110.3(11) . . ?
F3_19 C2_19 F1_19 104.9(12) . . ?
F3_19 C2_19 F2_19 106.2(12) . . ?
F1_19 C2_19 F2_19 110.8(12) . . ?
F3_19 C2_19 C1_19 112.5(10) . . ?
F1_19 C2_19 C1_19 106.8(13) . . ?
F2_19 C2_19 C1_19 115.1(12) . . ?
F5_19 C3_19 F4_19 106.9(10) . . ?
F5_19 C3_19 F6_19 109.7(11) . . ?
F4_19 C3_19 F6_19 105.4(12) . . ?
F5_19 C3_19 C1_19 112.3(9) . . ?
F4_19 C3_19 C1_19 109.1(13) . . ?
F6_19 C3_19 C1_19 113.0(11) . . ?
F8_19 C4_19 F9_19 108.3(12) . . ?
F8_19 C4_19 F7_19 107.3(10) . . ?
F9_19 C4_19 F7_19 109.5(13) . . ?
F8_19 C4_19 C1_19 112.8(10) . . ?
F9_19 C4_19 C1_19 109.2(11) . . ?
F7_19 C4_19 C1_19 109.7(11) . . ?
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
W1 O1_1 2.014(2) . ?
W1 O1_18 2.029(7) . ?
W1 C6 2.060(3) . ?
W1 C5 2.062(3) . ?
W1 C2 2.104(3) . ?
W1 C4 2.120(3) . ?
W1 C3 2.130(3) . ?
W1 C1 2.143(3) . ?
O1 C1 1.118(3) . ?
F1 Al1 1.7645(7) . ?
F1 Al1 1.7646(7) 2_665 ?
Al1 O1_8 1.669(6) . ?
Al1 O1_7 1.688(4) . ?
Al1 O1_6 1.704(3) . ?
Al1 O1_24 1.709(12) . ?
Al1 O1_23 1.723(7) . ?
Al1 O1_21 1.722(8) . ?
Al1 O1_22 1.723(5) . ?
O2 C2 1.191(3) . ?
F2 Al2 1.7664(7) . ?
F2 Al2 1.7665(7) 2_666 ?
Al2 O1_4 1.7021(18) . ?
Al2 O1_5 1.7044(17) . ?
Al2 O1_17 1.711(9) . ?
Al2 O1_3 1.719(5) . ?
W2 O1_2 2.017(2) . ?
W2 O1_19 2.036(7) . ?
W2 C11 2.054(3) . ?
W2 C12 2.068(3) . ?
W2 C7 2.127(3) . ?
W2 C10 2.137(3) . ?
W2 C8 2.140(3) . ?
W2 C9 2.144(3) . ?
Al4 O1_13 1.6956(19) . ?
Al4 O1_14 1.6977(19) . ?
Al4 O1_12 1.7055(19) . ?
Al4 F4 1.7647(7) . ?
O4 C4 1.132(3) . ?
Al3 O1_10 1.689(4) . ?
Al3 O1_20 1.694(9) . ?
Al3 O1_15 1.697(14) . ?
Al3 O1_11 1.7070(17) . ?
Al3 O1_9 1.717(6) . ?
Al3 O1_16 1.732(9) . ?
Al3 F3 1.7685(7) . ?
O3 C3 1.114(3) . ?
C6 O6 1.124(3) . ?
C5 O5 1.130(3) . ?
C12 O12 1.125(3) . ?
C11 O11 1.125(3) . ?
C10 O10 1.113(3) . ?
C9 O9 1.117(3) . ?
C8 O8 1.117(3) . ?
C7 O7 1.119(3) . ?
O1_1 C1_1 1.357(5) . ?
C1_1 C2_1 1.543(6) . ?
C1_1 C4_1 1.547(6) . ?
C1_1 C3_1 1.562(6) . ?
C2_1 F2_1 1.298(6) . ?
C2_1 F1_1 1.311(6) . ?
C2_1 F3_1 1.315(6) . ?
C3_1 F4_1 1.300(6) . ?
C3_1 F5_1 1.312(5) . ?
C3_1 F6_1 1.325(5) . ?
C4_1 F7_1 1.314(6) . ?
C4_1 F9_1 1.315(5) . ?
C4_1 F8_1 1.318(4) . ?
O1_2 C1_2 1.356(4) . ?
C1_2 C3_2 1.526(5) . ?
C1_2 C4_2 1.539(6) . ?
C1_2 C2_2 1.562(6) . ?
C2_2 F2_2 1.289(5) . ?
C2_2 F3_2 1.320(5) . ?
C2_2 F1_2 1.345(6) . ?
C3_2 F6_2 1.320(4) . ?
C3_2 F5_2 1.330(5) . ?
C3_2 F4_2 1.363(4) . ?
C4_2 F7_2 1.304(6) . ?
C4_2 F9_2 1.315(6) . ?
C4_2 F8_2 1.336(6) . ?
O1_3 C1_3 1.360(6) . ?
C1_3 C3_3 1.548(7) . ?
C1_3 C2_3 1.551(7) . ?
C1_3 C4_3 1.552(7) . ?
C2_3 F3_3 1.319(7) . ?
C2_3 F1_3 1.327(8) . ?
C2_3 F2_3 1.348(5) . ?
C3_3 F5_3 1.320(9) . ?
C3_3 F4_3 1.324(7) . ?
C3_3 F6_3 1.340(7) . ?
C4_3 F9_3 1.310(9) . ?
C4_3 F7_3 1.316(7) . ?
C4_3 F8_3 1.336(6) . ?
O1_4 C1_4 1.356(3) . ?
C1_4 C3_4 1.548(4) . ?
C1_4 C2_4 1.549(3) . ?
C1_4 C4_4 1.559(3) . ?
C2_4 F1_4 1.325(4) . ?
C2_4 F3_4 1.330(3) . ?
C2_4 F2_4 1.339(3) . ?
C3_4 F4_4 1.319(3) . ?
C3_4 F5_4 1.328(3) . ?
C3_4 F6_4 1.354(3) . ?
C4_4 F9_4 1.318(3) . ?
C4_4 F7_4 1.333(3) . ?
C4_4 F8_4 1.341(3) . ?
O1_5 C1_5 1.361(3) . ?
C1_5 C4_5 1.552(3) . ?
C1_5 C2_5 1.553(3) . ?
C1_5 C3_5 1.555(3) . ?
C2_5 F2_5 1.330(3) . ?
C2_5 F3_5 1.331(3) . ?
C2_5 F1_5 1.334(3) . ?
C3_5 F6_5 1.331(3) . ?
C3_5 F4_5 1.331(3) . ?
C3_5 F5_5 1.336(3) . ?
C4_5 F7_5 1.326(3) . ?
C4_5 F8_5 1.331(3) . ?
C4_5 F9_5 1.331(3) . ?
O1_6 C1_6 1.352(6) . ?
C1_6 C4_6 1.547(7) . ?
C1_6 C3_6 1.553(7) . ?
C1_6 C2_6 1.569(7) . ?
C2_6 F2_6 1.313(5) . ?
C2_6 F3_6 1.329(6) . ?
C2_6 F1_6 1.330(7) . ?
C3_6 F4_6 1.323(7) . ?
C3_6 F5_6 1.326(7) . ?
C3_6 F6_6 1.332(7) . ?
C4_6 F7_6 1.312(7) . ?
C4_6 F9_6 1.322(8) . ?
C4_6 F8_6 1.334(7) . ?
O1_7 C1_7 1.358(7) . ?
C1_7 C2_7 1.546(8) . ?
C1_7 C4_7 1.551(8) . ?
C1_7 C3_7 1.559(8) . ?
C2_7 F3_7 1.321(7) . ?
C2_7 F2_7 1.331(7) . ?
C2_7 F1_7 1.336(8) . ?
C3_7 F5_7 1.313(8) . ?
C3_7 F6_7 1.329(8) . ?
C3_7 F4_7 1.349(9) . ?
C4_7 F8_7 1.327(6) . ?
C4_7 F9_7 1.328(7) . ?
C4_7 F7_7 1.342(7) . ?
O1_8 C1_8 1.352(10) . ?
C1_8 C4_8 1.547(11) . ?
C1_8 C2_8 1.548(11) . ?
C1_8 C3_8 1.557(10) . ?
C2_8 F2_8 1.316(10) . ?
C2_8 F1_8 1.323(11) . ?
C2_8 F3_8 1.332(10) . ?
C3_8 F5_8 1.326(10) . ?
C3_8 F6_8 1.327(11) . ?
C3_8 F4_8 1.332(11) . ?
C4_8 F9_8 1.316(9) . ?
C4_8 F8_8 1.322(8) . ?
C4_8 F7_8 1.336(10) . ?
O1_9 C1_9 1.358(7) . ?
C1_9 C4_9 1.552(8) . ?
C1_9 C2_9 1.553(7) . ?
C1_9 C3_9 1.561(7) . ?
C2_9 F3_9 1.333(6) . ?
C2_9 F1_9 1.346(6) . ?
C2_9 F2_9 1.346(7) . ?
C3_9 F5_9 1.331(6) . ?
C3_9 F4_9 1.333(6) . ?
C3_9 F6_9 1.335(9) . ?
C4_9 F8_9 1.318(8) . ?
C4_9 F7_9 1.328(6) . ?
C4_9 F9_9 1.331(6) . ?
O1_10 C1_10 1.343(5) . ?
C1_10 C3_10 1.550(6) . ?
C1_10 C4_10 1.553(6) . ?
C1_10 C2_10 1.562(6) . ?
C2_10 F1_10 1.318(5) . ?
C2_10 F3_10 1.329(6) . ?
C2_10 F2_10 1.345(4) . ?
C3_10 F5_10 1.322(7) . ?
C3_10 F4_10 1.330(6) . ?
C3_10 F6_10 1.342(4) . ?
C4_10 F7_10 1.326(5) . ?
C4_10 F8_10 1.328(6) . ?
C4_10 F9_10 1.333(6) . ?
O1_11 C1_11 1.359(3) . ?
C1_11 C4_11 1.544(4) . ?
C1_11 C3_11 1.552(4) . ?
C1_11 C2_11 1.556(4) . ?
C2_11 F3_11 1.324(4) . ?
C2_11 F2_11 1.325(3) . ?
C2_11 F1_11 1.333(4) . ?
C3_11 F6_11 1.327(3) . ?
C3_11 F4_11 1.337(3) . ?
C3_11 F5_11 1.338(4) . ?
C4_11 F9_11 1.330(3) . ?
C4_11 F7_11 1.333(3) . ?
C4_11 F8_11 1.333(3) . ?
O1_12 C1_12 1.353(3) . ?
C1_12 C3_12 1.546(4) . ?
C1_12 C2_12 1.548(3) . ?
C1_12 C4_12 1.559(4) . ?
C2_12 F2_12 1.321(3) . ?
C2_12 F1_12 1.324(3) . ?
C2_12 F3_12 1.327(3) . ?
C3_12 F4_12 1.324(3) . ?
C3_12 F6_12 1.332(3) . ?
C3_12 F5_12 1.333(3) . ?
C4_12 F9_12 1.321(3) . ?
C4_12 F7_12 1.326(3) . ?
C4_12 F8_12 1.329(3) . ?
O1_13 C1_13 1.355(3) . ?
C1_13 C3_13 1.535(4) . ?
C1_13 C2_13 1.550(3) . ?
C1_13 C4_13 1.568(4) . ?
C2_13 F2_13 1.329(3) . ?
C2_13 F1_13 1.330(3) . ?
C2_13 F3_13 1.334(3) . ?
C3_13 F6_13 1.328(4) . ?
C3_13 F4_13 1.330(4) . ?
C3_13 F5_13 1.338(4) . ?
C4_13 F7_13 1.319(3) . ?
C4_13 F9_13 1.328(3) . ?
C4_13 F8_13 1.331(3) . ?
O1_14 C1_14 1.353(3) . ?
C1_14 C2_14 1.548(4) . ?
C1_14 C3_14 1.548(4) . ?
C1_14 C4_14 1.556(4) . ?
C2_14 F2_14 1.324(3) . ?
C2_14 F3_14 1.324(3) . ?
C2_14 F1_14 1.334(3) . ?
C3_14 F5_14 1.320(3) . ?
C3_14 F6_14 1.329(3) . ?
C3_14 F4_14 1.345(3) . ?
C4_14 F8_14 1.318(4) . ?
C4_14 F9_14 1.323(3) . ?
C4_14 F7_14 1.338(3) . ?
O1_15 C1_15 1.366(12) . ?
C1_15 C4_15 1.539(13) . ?
C1_15 C3_15 1.540(13) . ?
C1_15 C2_15 1.541(13) . ?
C2_15 F3_15 1.318(14) . ?
C2_15 F1_15 1.319(14) . ?
C2_15 F2_15 1.322(14) . ?
C3_15 F5_15 1.325(14) . ?
C3_15 F4_15 1.331(14) . ?
C3_15 F6_15 1.332(14) . ?
C4_15 F8_15 1.312(14) . ?
C4_15 F9_15 1.326(14) . ?
C4_15 F7_15 1.335(14) . ?
O1_16 C1_16 1.367(11) . ?
C1_16 C3_16 1.533(12) . ?
C1_16 C2_16 1.544(12) . ?
C1_16 C4_16 1.549(12) . ?
C2_16 F3_16 1.319(12) . ?
C2_16 F1_16 1.327(10) . ?
C2_16 F2_16 1.352(11) . ?
C3_16 F5_16 1.316(10) . ?
C3_16 F4_16 1.332(11) . ?
C3_16 F6_16 1.350(9) . ?
C4_16 F7_16 1.311(12) . ?
C4_16 F8_16 1.334(9) . ?
C4_16 F9_16 1.334(11) . ?
O1_17 C1_17 1.361(11) . ?
C1_17 C3_17 1.539(12) . ?
C1_17 C4_17 1.539(12) . ?
C1_17 C2_17 1.540(12) . ?
C2_17 F3_17 1.298(12) . ?
C2_17 F2_17 1.329(10) . ?
C2_17 F1_17 1.336(11) . ?
C3_17 F5_17 1.316(11) . ?
C3_17 F4_17 1.343(11) . ?
C3_17 F6_17 1.343(9) . ?
C4_17 F9_17 1.321(12) . ?
C4_17 F8_17 1.323(9) . ?
C4_17 F7_17 1.325(11) . ?
O1_18 C1_18 1.364(12) . ?
C1_18 C3_18 1.526(12) . ?
C1_18 C2_18 1.538(13) . ?
C1_18 C4_18 1.539(13) . ?
C2_18 F3_18 1.283(12) . ?
C2_18 F2_18 1.295(12) . ?
C2_18 F1_18 1.302(13) . ?
C3_18 F5_18 1.334(11) . ?
C3_18 F4_18 1.335(12) . ?
C3_18 F6_18 1.336(11) . ?
C4_18 F9_18 1.308(12) . ?
C4_18 F8_18 1.321(11) . ?
C4_18 F7_18 1.323(11) . ?
O1_20 C1_20 1.362(11) . ?
C1_20 C2_20 1.540(12) . ?
C1_20 C4_20 1.541(12) . ?
C1_20 C3_20 1.544(12) . ?
C2_20 F3_20 1.322(10) . ?
C2_20 F1_20 1.327(10) . ?
C2_20 F2_20 1.345(10) . ?
C3_20 F5_20 1.316(9) . ?
C3_20 F4_20 1.339(10) . ?
C3_20 F6_20 1.339(12) . ?
C4_20 F7_20 1.305(9) . ?
C4_20 F8_20 1.321(10) . ?
C4_20 F9_20 1.331(10) . ?
O1_21 C1_21 1.365(12) . ?
C1_21 C2_21 1.540(12) . ?
C1_21 C4_21 1.541(12) . ?
C1_21 C3_21 1.553(12) . ?
C2_21 F2_21 1.307(12) . ?
C2_21 F3_21 1.322(13) . ?
C2_21 F1_21 1.338(13) . ?
C3_21 F5_21 1.285(11) . ?
C3_21 F4_21 1.315(12) . ?
C3_21 F6_21 1.329(10) . ?
C4_21 F8_21 1.311(10) . ?
C4_21 F7_21 1.324(12) . ?
C4_21 F9_21 1.331(12) . ?
O1_22 C1_22 1.357(8) . ?
C1_22 C3_22 1.550(9) . ?
C1_22 C4_22 1.553(9) . ?
C1_22 C2_22 1.561(8) . ?
C2_22 F1_22 1.319(9) . ?
C2_22 F2_22 1.342(7) . ?
C2_22 F3_22 1.343(7) . ?
C3_22 F5_22 1.329(8) . ?
C3_22 F4_22 1.334(8) . ?
C3_22 F6_22 1.343(9) . ?
C4_22 F9_22 1.302(7) . ?
C4_22 F8_22 1.325(7) . ?
C4_22 F7_22 1.339(7) . ?
O1_23 C1_23 1.360(10) . ?
C1_23 C3_23 1.538(11) . ?
C1_23 C4_23 1.545(11) . ?
C1_23 C2_23 1.548(11) . ?
C2_23 F3_23 1.321(10) . ?
C2_23 F1_23 1.335(11) . ?
C2_23 F2_23 1.337(10) . ?
C3_23 F5_23 1.312(10) . ?
C3_23 F6_23 1.332(11) . ?
C3_23 F4_23 1.342(11) . ?
C4_23 F9_23 1.311(10) . ?
C4_23 F8_23 1.326(9) . ?
C4_23 F7_23 1.341(10) . ?
O1_24 C1_24 1.374(12) . ?
C1_24 C4_24 1.540(13) . ?
C1_24 C2_24 1.544(13) . ?
C1_24 C3_24 1.560(13) . ?
C2_24 F2_24 1.329(14) . ?
C2_24 F3_24 1.346(13) . ?
C2_24 F1_24 1.354(13) . ?
C3_24 F5_24 1.292(13) . ?
C3_24 F4_24 1.307(13) . ?
C3_24 F6_24 1.312(13) . ?
C4_24 F8_24 1.307(13) . ?
C4_24 F7_24 1.308(13) . ?
C4_24 F9_24 1.336(13) . ?
O1_19 C1_19 1.372(12) . ?
C1_19 C2_19 1.537(13) . ?
C1_19 C4_19 1.541(13) . ?
C1_19 C3_19 1.543(13) . ?
C2_19 F3_19 1.312(12) . ?
C2_19 F1_19 1.312(13) . ?
C2_19 F2_19 1.318(12) . ?
C3_19 F5_19 1.319(11) . ?
C3_19 F4_19 1.321(12) . ?
C3_19 F6_19 1.337(11) . ?
C4_19 F8_19 1.297(11) . ?
C4_19 F9_19 1.315(12) . ?
C4_19 F7_19 1.324(12) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
W1 O1_1 C1_1 C2_1 -78.7(7) . . . . ?
W1 O1_1 C1_1 C4_1 44.9(8) . . . . ?
W1 O1_1 C1_1 C3_1 163.5(4) . . . . ?
O1_1 C1_1 C2_1 F2_1 -172.1(5) . . . . ?
C4_1 C1_1 C2_1 F2_1 64.2(6) . . . . ?
C3_1 C1_1 C2_1 F2_1 -56.6(6) . . . . ?
O1_1 C1_1 C2_1 F1_1 68.8(6) . . . . ?
C4_1 C1_1 C2_1 F1_1 -54.8(6) . . . . ?
C3_1 C1_1 C2_1 F1_1 -175.6(5) . . . . ?
O1_1 C1_1 C2_1 F3_1 -49.7(6) . . . . ?
C4_1 C1_1 C2_1 F3_1 -173.3(5) . . . . ?
C3_1 C1_1 C2_1 F3_1 65.9(6) . . . . ?
O1_1 C1_1 C3_1 F4_1 -53.5(5) . . . . ?
C2_1 C1_1 C3_1 F4_1 -171.5(5) . . . . ?
C4_1 C1_1 C3_1 F4_1 66.5(5) . . . . ?
O1_1 C1_1 C3_1 F5_1 63.8(5) . . . . ?
C2_1 C1_1 C3_1 F5_1 -54.2(5) . . . . ?
C4_1 C1_1 C3_1 F5_1 -176.2(4) . . . . ?
O1_1 C1_1 C3_1 F6_1 -176.9(4) . . . . ?
C2_1 C1_1 C3_1 F6_1 65.1(5) . . . . ?
C4_1 C1_1 C3_1 F6_1 -56.9(5) . . . . ?
O1_1 C1_1 C4_1 F7_1 57.1(5) . . . . ?
C2_1 C1_1 C4_1 F7_1 179.7(4) . . . . ?
C3_1 C1_1 C4_1 F7_1 -59.4(5) . . . . ?
O1_1 C1_1 C4_1 F9_1 -60.4(5) . . . . ?
C2_1 C1_1 C4_1 F9_1 62.3(5) . . . . ?
C3_1 C1_1 C4_1 F9_1 -176.9(4) . . . . ?
O1_1 C1_1 C4_1 F8_1 -179.7(4) . . . . ?
C2_1 C1_1 C4_1 F8_1 -57.0(5) . . . . ?
C3_1 C1_1 C4_1 F8_1 63.8(5) . . . . ?
W2 O1_2 C1_2 C3_2 -23.6(8) . . . . ?
W2 O1_2 C1_2 C4_2 99.8(6) . . . . ?
W2 O1_2 C1_2 C2_2 -140.5(5) . . . . ?
O1_2 C1_2 C2_2 F2_2 170.8(4) . . . . ?
C3_2 C1_2 C2_2 F2_2 49.1(5) . . . . ?
C4_2 C1_2 C2_2 F2_2 -71.5(6) . . . . ?
O1_2 C1_2 C2_2 F3_2 -67.4(4) . . . . ?
C3_2 C1_2 C2_2 F3_2 170.9(3) . . . . ?
C4_2 C1_2 C2_2 F3_2 50.3(5) . . . . ?
O1_2 C1_2 C2_2 F1_2 47.8(5) . . . . ?
C3_2 C1_2 C2_2 F1_2 -73.9(5) . . . . ?
C4_2 C1_2 C2_2 F1_2 165.5(4) . . . . ?
O1_2 C1_2 C3_2 F6_2 172.9(4) . . . . ?
C4_2 C1_2 C3_2 F6_2 50.5(5) . . . . ?
C2_2 C1_2 C3_2 F6_2 -71.0(5) . . . . ?
O1_2 C1_2 C3_2 F5_2 -62.4(5) . . . . ?
C4_2 C1_2 C3_2 F5_2 175.2(4) . . . . ?
C2_2 C1_2 C3_2 F5_2 53.7(4) . . . . ?
O1_2 C1_2 C3_2 F4_2 53.1(5) . . . . ?
C4_2 C1_2 C3_2 F4_2 -69.3(5) . . . . ?
C2_2 C1_2 C3_2 F4_2 169.2(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 -75.0(6) . . . . ?
C3_2 C1_2 C4_2 F7_2 50.6(6) . . . . ?
C2_2 C1_2 C4_2 F7_2 169.2(5) . . . . ?
O1_2 C1_2 C4_2 F9_2 47.3(6) . . . . ?
C3_2 C1_2 C4_2 F9_2 172.8(4) . . . . ?
C2_2 C1_2 C4_2 F9_2 -68.5(6) . . . . ?
O1_2 C1_2 C4_2 F8_2 162.3(4) . . . . ?
C3_2 C1_2 C4_2 F8_2 -72.1(5) . . . . ?
C2_2 C1_2 C4_2 F8_2 46.5(6) . . . . ?
O1_4 Al2 O1_3 C1_3 75.4(11) . . . . ?
O1_5 Al2 O1_3 C1_3 -55.9(11) . . . . ?
F2 Al2 O1_3 C1_3 -169.2(10) . . . . ?
Al2 O1_3 C1_3 C3_3 -128.8(10) . . . . ?
Al2 O1_3 C1_3 C2_3 -9.3(13) . . . . ?
Al2 O1_3 C1_3 C4_3 111.4(10) . . . . ?
O1_3 C1_3 C2_3 F3_3 -39.4(7) . . . . ?
C3_3 C1_3 C2_3 F3_3 79.7(6) . . . . ?
C4_3 C1_3 C2_3 F3_3 -161.3(5) . . . . ?
O1_3 C1_3 C2_3 F1_3 79.1(7) . . . . ?
C3_3 C1_3 C2_3 F1_3 -161.8(5) . . . . ?
C4_3 C1_3 C2_3 F1_3 -42.9(7) . . . . ?
O1_3 C1_3 C2_3 F2_3 -160.5(6) . . . . ?
C3_3 C1_3 C2_3 F2_3 -41.4(6) . . . . ?
C4_3 C1_3 C2_3 F2_3 77.6(6) . . . . ?
O1_3 C1_3 C3_3 F5_3 76.5(7) . . . . ?
C2_3 C1_3 C3_3 F5_3 -45.0(7) . . . . ?
C4_3 C1_3 C3_3 F5_3 -163.1(6) . . . . ?
O1_3 C1_3 C3_3 F4_3 -42.9(8) . . . . ?
C2_3 C1_3 C3_3 F4_3 -164.4(6) . . . . ?
C4_3 C1_3 C3_3 F4_3 77.5(7) . . . . ?
O1_3 C1_3 C3_3 F6_3 -164.1(6) . . . . ?
C2_3 C1_3 C3_3 F6_3 74.3(7) . . . . ?
C4_3 C1_3 C3_3 F6_3 -43.7(7) . . . . ?
O1_3 C1_3 C4_3 F9_3 -45.6(8) . . . . ?
C3_3 C1_3 C4_3 F9_3 -164.5(7) . . . . ?
C2_3 C1_3 C4_3 F9_3 77.2(8) . . . . ?
O1_3 C1_3 C4_3 F7_3 73.3(7) . . . . ?
C3_3 C1_3 C4_3 F7_3 -45.6(7) . . . . ?
C2_3 C1_3 C4_3 F7_3 -163.9(5) . . . . ?
O1_3 C1_3 C4_3 F8_3 -166.1(6) . . . . ?
C3_3 C1_3 C4_3 F8_3 75.0(6) . . . . ?
C2_3 C1_3 C4_3 F8_3 -43.3(6) . . . . ?
O1_5 Al2 O1_4 C1_4 -162.0(3) . . . . ?
O1_17 Al2 O1_4 C1_4 68.6(6) . . . . ?
O1_3 Al2 O1_4 C1_4 66.8(4) . . . . ?
F2 Al2 O1_4 C1_4 -44.8(3) . . . . ?
Al2 O1_4 C1_4 C3_4 74.1(4) . . . . ?
Al2 O1_4 C1_4 C2_4 -45.9(4) . . . . ?
Al2 O1_4 C1_4 C4_4 -166.1(3) . . . . ?
O1_4 C1_4 C2_4 F1_4 -76.7(3) . . . . ?
C3_4 C1_4 C2_4 F1_4 163.1(2) . . . . ?
C4_4 C1_4 C2_4 F1_4 42.5(3) . . . . ?
O1_4 C1_4 C2_4 F3_4 42.3(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -77.9(3) . . . . ?
C4_4 C1_4 C2_4 F3_4 161.6(2) . . . . ?
O1_4 C1_4 C2_4 F2_4 162.2(2) . . . . ?
C3_4 C1_4 C2_4 F2_4 42.0(3) . . . . ?
C4_4 C1_4 C2_4 F2_4 -78.5(3) . . . . ?
O1_4 C1_4 C3_4 F4_4 43.8(3) . . . . ?
C2_4 C1_4 C3_4 F4_4 164.9(2) . . . . ?
C4_4 C1_4 C3_4 F4_4 -74.8(3) . . . . ?
O1_4 C1_4 C3_4 F5_4 -76.7(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 44.4(3) . . . . ?
C4_4 C1_4 C3_4 F5_4 164.7(2) . . . . ?
O1_4 C1_4 C3_4 F6_4 163.8(2) . . . . ?
C2_4 C1_4 C3_4 F6_4 -75.1(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 45.2(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 44.4(3) . . . . ?
C3_4 C1_4 C4_4 F9_4 163.7(2) . . . . ?
C2_4 C1_4 C4_4 F9_4 -76.5(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -75.6(3) . . . . ?
C3_4 C1_4 C4_4 F7_4 43.8(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 163.5(2) . . . . ?
O1_4 C1_4 C4_4 F8_4 165.2(2) . . . . ?
C3_4 C1_4 C4_4 F8_4 -75.5(3) . . . . ?
C2_4 C1_4 C4_4 F8_4 44.3(3) . . . . ?
O1_4 Al2 O1_5 C1_5 16.8(3) . . . . ?
O1_17 Al2 O1_5 C1_5 148.5(6) . . . . ?
O1_3 Al2 O1_5 C1_5 151.7(4) . . . . ?
F2 Al2 O1_5 C1_5 -100.0(3) . . . . ?
Al2 O1_5 C1_5 C4_5 -178.1(2) . . . . ?
Al2 O1_5 C1_5 C2_5 61.8(4) . . . . ?
Al2 O1_5 C1_5 C3_5 -58.6(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 -161.8(2) . . . . ?
C4_5 C1_5 C2_5 F2_5 79.9(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 -40.0(3) . . . . ?
O1_5 C1_5 C2_5 F3_5 -40.8(3) . . . . ?
C4_5 C1_5 C2_5 F3_5 -159.1(2) . . . . ?
C3_5 C1_5 C2_5 F3_5 80.9(2) . . . . ?
O1_5 C1_5 C2_5 F1_5 77.6(2) . . . . ?
C4_5 C1_5 C2_5 F1_5 -40.7(3) . . . . ?
C3_5 C1_5 C2_5 F1_5 -160.64(19) . . . . ?
O1_5 C1_5 C3_5 F6_5 -161.5(2) . . . . ?
C4_5 C1_5 C3_5 F6_5 -43.5(3) . . . . ?
C2_5 C1_5 C3_5 F6_5 76.9(2) . . . . ?
O1_5 C1_5 C3_5 F4_5 -41.0(3) . . . . ?
C4_5 C1_5 C3_5 F4_5 77.0(2) . . . . ?
C2_5 C1_5 C3_5 F4_5 -162.61(19) . . . . ?
O1_5 C1_5 C3_5 F5_5 77.6(3) . . . . ?
C4_5 C1_5 C3_5 F5_5 -164.3(2) . . . . ?
C2_5 C1_5 C3_5 F5_5 -44.0(3) . . . . ?
O1_5 C1_5 C4_5 F7_5 71.5(2) . . . . ?
C2_5 C1_5 C4_5 F7_5 -168.1(2) . . . . ?
C3_5 C1_5 C4_5 F7_5 -48.8(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 -167.9(2) . . . . ?
C2_5 C1_5 C4_5 F8_5 -47.6(3) . . . . ?
C3_5 C1_5 C4_5 F8_5 71.7(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 -47.3(3) . . . . ?
C2_5 C1_5 C4_5 F9_5 73.0(3) . . . . ?
C3_5 C1_5 C4_5 F9_5 -167.7(2) . . . . ?
O1_8 Al1 O1_6 C1_6 117.6(8) . . . . ?
O1_7 Al1 O1_6 C1_6 -13.9(9) . . . . ?
F1 Al1 O1_6 C1_6 -131.2(8) . . . . ?
Al1 O1_6 C1_6 C4_6 -29.2(10) . . . . ?
Al1 O1_6 C1_6 C3_6 91.4(8) . . . . ?
Al1 O1_6 C1_6 C2_6 -151.8(7) . . . . ?
O1_6 C1_6 C2_6 F2_6 -163.3(5) . . . . ?
C4_6 C1_6 C2_6 F2_6 73.3(7) . . . . ?
C3_6 C1_6 C2_6 F2_6 -44.7(7) . . . . ?
O1_6 C1_6 C2_6 F3_6 -44.2(6) . . . . ?
C4_6 C1_6 C2_6 F3_6 -167.6(5) . . . . ?
C3_6 C1_6 C2_6 F3_6 74.4(6) . . . . ?
O1_6 C1_6 C2_6 F1_6 75.2(6) . . . . ?
C4_6 C1_6 C2_6 F1_6 -48.2(7) . . . . ?
C3_6 C1_6 C2_6 F1_6 -166.3(5) . . . . ?
O1_6 C1_6 C3_6 F4_6 -49.8(6) . . . . ?
C4_6 C1_6 C3_6 F4_6 73.5(6) . . . . ?
C2_6 C1_6 C3_6 F4_6 -166.2(5) . . . . ?
O1_6 C1_6 C3_6 F5_6 68.3(7) . . . . ?
C4_6 C1_6 C3_6 F5_6 -168.4(6) . . . . ?
C2_6 C1_6 C3_6 F5_6 -48.2(7) . . . . ?
O1_6 C1_6 C3_6 F6_6 -169.9(5) . . . . ?
C4_6 C1_6 C3_6 F6_6 -46.6(7) . . . . ?
C2_6 C1_6 C3_6 F6_6 73.7(6) . . . . ?
O1_6 C1_6 C4_6 F7_6 82.4(7) . . . . ?
C3_6 C1_6 C4_6 F7_6 -39.5(7) . . . . ?
C2_6 C1_6 C4_6 F7_6 -157.4(6) . . . . ?
O1_6 C1_6 C4_6 F9_6 -39.1(8) . . . . ?
C3_6 C1_6 C4_6 F9_6 -161.0(6) . . . . ?
C2_6 C1_6 C4_6 F9_6 81.1(7) . . . . ?
O1_6 C1_6 C4_6 F8_6 -159.0(7) . . . . ?
C3_6 C1_6 C4_6 F8_6 79.1(8) . . . . ?
C2_6 C1_6 C4_6 F8_6 -38.8(8) . . . . ?
O1_8 Al1 O1_7 C1_7 96.4(11) . . . . ?
O1_6 Al1 O1_7 C1_7 -145.6(10) . . . . ?
F1 Al1 O1_7 C1_7 -31.9(11) . . . . ?
Al1 O1_7 C1_7 C2_7 68.7(12) . . . . ?
Al1 O1_7 C1_7 C4_7 -52.5(13) . . . . ?
Al1 O1_7 C1_7 C3_7 -172.0(9) . . . . ?
O1_7 C1_7 C2_7 F3_7 42.4(9) . . . . ?
C4_7 C1_7 C2_7 F3_7 164.0(7) . . . . ?
C3_7 C1_7 C2_7 F3_7 -76.3(8) . . . . ?
O1_7 C1_7 C2_7 F2_7 163.5(6) . . . . ?
C4_7 C1_7 C2_7 F2_7 -74.9(8) . . . . ?
C3_7 C1_7 C2_7 F2_7 44.8(9) . . . . ?
O1_7 C1_7 C2_7 F1_7 -77.1(8) . . . . ?
C4_7 C1_7 C2_7 F1_7 44.5(8) . . . . ?
C3_7 C1_7 C2_7 F1_7 164.2(7) . . . . ?
O1_7 C1_7 C3_7 F5_7 -72.0(9) . . . . ?
C2_7 C1_7 C3_7 F5_7 48.3(9) . . . . ?
C4_7 C1_7 C3_7 F5_7 168.0(7) . . . . ?
O1_7 C1_7 C3_7 F6_7 164.5(9) . . . . ?
C2_7 C1_7 C3_7 F6_7 -75.1(10) . . . . ?
C4_7 C1_7 C3_7 F6_7 44.6(10) . . . . ?
O1_7 C1_7 C3_7 F4_7 45.8(10) . . . . ?
C2_7 C1_7 C3_7 F4_7 166.2(8) . . . . ?
C4_7 C1_7 C3_7 F4_7 -74.1(9) . . . . ?
O1_7 C1_7 C4_7 F8_7 162.0(6) . . . . ?
C2_7 C1_7 C4_7 F8_7 40.1(8) . . . . ?
C3_7 C1_7 C4_7 F8_7 -79.3(8) . . . . ?
O1_7 C1_7 C4_7 F9_7 42.0(8) . . . . ?
C2_7 C1_7 C4_7 F9_7 -79.9(7) . . . . ?
C3_7 C1_7 C4_7 F9_7 160.6(6) . . . . ?
O1_7 C1_7 C4_7 F7_7 -77.1(7) . . . . ?
C2_7 C1_7 C4_7 F7_7 161.0(6) . . . . ?
C3_7 C1_7 C4_7 F7_7 41.5(8) . . . . ?
O1_7 Al1 O1_8 C1_8 -19.1(19) . . . . ?
O1_6 Al1 O1_8 C1_8 -142.9(17) . . . . ?
F1 Al1 O1_8 C1_8 109.7(17) . . . . ?
Al1 O1_8 C1_8 C4_8 -55(2) . . . . ?
Al1 O1_8 C1_8 C2_8 -176.8(16) . . . . ?
Al1 O1_8 C1_8 C3_8 65(2) . . . . ?
O1_8 C1_8 C2_8 F2_8 -163.3(9) . . . . ?
C4_8 C1_8 C2_8 F2_8 75.7(12) . . . . ?
C3_8 C1_8 C2_8 F2_8 -43.9(12) . . . . ?
O1_8 C1_8 C2_8 F1_8 77.2(12) . . . . ?
C4_8 C1_8 C2_8 F1_8 -43.8(12) . . . . ?
C3_8 C1_8 C2_8 F1_8 -163.5(10) . . . . ?
O1_8 C1_8 C2_8 F3_8 -40.4(12) . . . . ?
C4_8 C1_8 C2_8 F3_8 -161.4(9) . . . . ?
C3_8 C1_8 C2_8 F3_8 79.0(11) . . . . ?
O1_8 C1_8 C3_8 F5_8 70.9(12) . . . . ?
C4_8 C1_8 C3_8 F5_8 -168.3(10) . . . . ?
C2_8 C1_8 C3_8 F5_8 -47.8(12) . . . . ?
O1_8 C1_8 C3_8 F6_8 -167.3(13) . . . . ?
C4_8 C1_8 C3_8 F6_8 -46.5(14) . . . . ?
C2_8 C1_8 C3_8 F6_8 73.9(14) . . . . ?
O1_8 C1_8 C3_8 F4_8 -46.0(13) . . . . ?
C4_8 C1_8 C3_8 F4_8 74.8(12) . . . . ?
C2_8 C1_8 C3_8 F4_8 -164.7(10) . . . . ?
O1_8 C1_8 C4_8 F9_8 -41.0(11) . . . . ?
C2_8 C1_8 C4_8 F9_8 79.4(11) . . . . ?
C3_8 C1_8 C4_8 F9_8 -161.8(9) . . . . ?
O1_8 C1_8 C4_8 F8_8 -161.9(8) . . . . ?
C2_8 C1_8 C4_8 F8_8 -41.5(12) . . . . ?
C3_8 C1_8 C4_8 F8_8 77.2(11) . . . . ?
O1_8 C1_8 C4_8 F7_8 79.3(10) . . . . ?
C2_8 C1_8 C4_8 F7_8 -160.3(8) . . . . ?
C3_8 C1_8 C4_8 F7_8 -41.6(11) . . . . ?
O1_10 Al3 O1_9 C1_9 16.2(16) . . . . ?
O1_11 Al3 O1_9 C1_9 152.6(13) . . . . ?
F3 Al3 O1_9 C1_9 -99.5(15) . . . . ?
Al3 O1_9 C1_9 C4_9 167.4(13) . . . . ?
Al3 O1_9 C1_9 C2_9 -73.2(16) . . . . ?
Al3 O1_9 C1_9 C3_9 47.8(17) . . . . ?
O1_9 C1_9 C2_9 F3_9 45.6(8) . . . . ?
C4_9 C1_9 C2_9 F3_9 163.9(6) . . . . ?
C3_9 C1_9 C2_9 F3_9 -77.5(7) . . . . ?
O1_9 C1_9 C2_9 F1_9 -73.3(8) . . . . ?
C4_9 C1_9 C2_9 F1_9 45.0(7) . . . . ?
C3_9 C1_9 C2_9 F1_9 163.6(5) . . . . ?
O1_9 C1_9 C2_9 F2_9 167.5(7) . . . . ?
C4_9 C1_9 C2_9 F2_9 -74.3(8) . . . . ?
C3_9 C1_9 C2_9 F2_9 44.3(8) . . . . ?
O1_9 C1_9 C3_9 F5_9 -81.0(8) . . . . ?
C4_9 C1_9 C3_9 F5_9 160.8(6) . . . . ?
C2_9 C1_9 C3_9 F5_9 42.6(7) . . . . ?
O1_9 C1_9 C3_9 F4_9 37.0(9) . . . . ?
C4_9 C1_9 C3_9 F4_9 -81.1(7) . . . . ?
C2_9 C1_9 C3_9 F4_9 160.6(6) . . . . ?
O1_9 C1_9 C3_9 F6_9 158.5(9) . . . . ?
C4_9 C1_9 C3_9 F6_9 40.4(10) . . . . ?
C2_9 C1_9 C3_9 F6_9 -77.9(9) . . . . ?
O1_9 C1_9 C4_9 F8_9 165.0(7) . . . . ?
C2_9 C1_9 C4_9 F8_9 43.5(8) . . . . ?
C3_9 C1_9 C4_9 F8_9 -74.0(8) . . . . ?
O1_9 C1_9 C4_9 F7_9 -77.0(7) . . . . ?
C2_9 C1_9 C4_9 F7_9 161.5(6) . . . . ?
C3_9 C1_9 C4_9 F7_9 43.9(7) . . . . ?
O1_9 C1_9 C4_9 F9_9 42.0(8) . . . . ?
C2_9 C1_9 C4_9 F9_9 -79.5(7) . . . . ?
C3_9 C1_9 C4_9 F9_9 163.0(6) . . . . ?
O1_11 Al3 O1_10 C1_10 66.0(14) . . . . ?
O1_9 Al3 O1_10 C1_10 -160.7(13) . . . . ?
F3 Al3 O1_10 C1_10 -44.4(14) . . . . ?
Al3 O1_10 C1_10 C3_10 116.4(13) . . . . ?
Al3 O1_10 C1_10 C4_10 -3.7(15) . . . . ?
Al3 O1_10 C1_10 C2_10 -124.4(12) . . . . ?
O1_10 C1_10 C2_10 F1_10 79.7(5) . . . . ?
C3_10 C1_10 C2_10 F1_10 -161.2(4) . . . . ?
C4_10 C1_10 C2_10 F1_10 -41.4(5) . . . . ?
O1_10 C1_10 C2_10 F3_10 -40.0(5) . . . . ?
C3_10 C1_10 C2_10 F3_10 79.0(4) . . . . ?
C4_10 C1_10 C2_10 F3_10 -161.2(4) . . . . ?
O1_10 C1_10 C2_10 F2_10 -159.3(4) . . . . ?
C3_10 C1_10 C2_10 F2_10 -40.3(5) . . . . ?
C4_10 C1_10 C2_10 F2_10 79.6(4) . . . . ?
O1_10 C1_10 C3_10 F5_10 75.3(6) . . . . ?
C4_10 C1_10 C3_10 F5_10 -164.0(4) . . . . ?
C2_10 C1_10 C3_10 F5_10 -44.0(5) . . . . ?
O1_10 C1_10 C3_10 F4_10 -43.6(6) . . . . ?
C4_10 C1_10 C3_10 F4_10 77.1(5) . . . . ?
C2_10 C1_10 C3_10 F4_10 -162.9(5) . . . . ?
O1_10 C1_10 C3_10 F6_10 -163.2(4) . . . . ?
C4_10 C1_10 C3_10 F6_10 -42.5(5) . . . . ?
C2_10 C1_10 C3_10 F6_10 77.5(4) . . . . ?
O1_10 C1_10 C4_10 F7_10 76.1(5) . . . . ?
C3_10 C1_10 C4_10 F7_10 -43.7(5) . . . . ?
C2_10 C1_10 C4_10 F7_10 -163.4(4) . . . . ?
O1_10 C1_10 C4_10 F8_10 -164.6(5) . . . . ?
C3_10 C1_10 C4_10 F8_10 75.6(5) . . . . ?
C2_10 C1_10 C4_10 F8_10 -44.1(5) . . . . ?
O1_10 C1_10 C4_10 F9_10 -43.6(6) . . . . ?
C3_10 C1_10 C4_10 F9_10 -163.5(5) . . . . ?
C2_10 C1_10 C4_10 F9_10 76.9(5) . . . . ?
O1_10 Al3 O1_11 C1_11 71.5(4) . . . . ?
O1_20 Al3 O1_11 C1_11 -54.8(7) . . . . ?
O1_15 Al3 O1_11 C1_11 -60.6(18) . . . . ?
O1_9 Al3 O1_11 C1_11 -62.5(5) . . . . ?
O1_16 Al3 O1_11 C1_11 70.7(7) . . . . ?
F3 Al3 O1_11 C1_11 -174.9(3) . . . . ?
Al3 O1_11 C1_11 C4_11 -111.0(3) . . . . ?
Al3 O1_11 C1_11 C3_11 9.0(4) . . . . ?
Al3 O1_11 C1_11 C2_11 129.4(3) . . . . ?
O1_11 C1_11 C2_11 F3_11 -46.9(3) . . . . ?
C4_11 C1_11 C2_11 F3_11 -166.1(2) . . . . ?
C3_11 C1_11 C2_11 F3_11 74.5(3) . . . . ?
O1_11 C1_11 C2_11 F2_11 -167.4(3) . . . . ?
C4_11 C1_11 C2_11 F2_11 73.4(3) . . . . ?
C3_11 C1_11 C2_11 F2_11 -46.0(3) . . . . ?
O1_11 C1_11 C2_11 F1_11 72.0(3) . . . . ?
C4_11 C1_11 C2_11 F1_11 -47.1(3) . . . . ?
C3_11 C1_11 C2_11 F1_11 -166.6(2) . . . . ?
O1_11 C1_11 C3_11 F6_11 -160.1(2) . . . . ?
C4_11 C1_11 C3_11 F6_11 -39.9(3) . . . . ?
C2_11 C1_11 C3_11 F6_11 80.3(3) . . . . ?
O1_11 C1_11 C3_11 F4_11 -40.2(3) . . . . ?
C4_11 C1_11 C3_11 F4_11 80.1(3) . . . . ?
C2_11 C1_11 C3_11 F4_11 -159.8(2) . . . . ?
O1_11 C1_11 C3_11 F5_11 77.5(3) . . . . ?
C4_11 C1_11 C3_11 F5_11 -162.2(2) . . . . ?
C2_11 C1_11 C3_11 F5_11 -42.1(3) . . . . ?
O1_11 C1_11 C4_11 F9_11 -45.0(3) . . . . ?
C3_11 C1_11 C4_11 F9_11 -166.5(2) . . . . ?
C2_11 C1_11 C4_11 F9_11 73.6(3) . . . . ?
O1_11 C1_11 C4_11 F7_11 74.0(3) . . . . ?
C3_11 C1_11 C4_11 F7_11 -47.5(3) . . . . ?
C2_11 C1_11 C4_11 F7_11 -167.4(2) . . . . ?
O1_11 C1_11 C4_11 F8_11 -165.8(2) . . . . ?
C3_11 C1_11 C4_11 F8_11 72.8(3) . . . . ?
C2_11 C1_11 C4_11 F8_11 -47.1(3) . . . . ?
O1_13 Al4 O1_12 C1_12 -56.2(4) . . . . ?
O1_14 Al4 O1_12 C1_12 76.6(4) . . . . ?
F4 Al4 O1_12 C1_12 -167.9(3) . . . . ?
Al4 O1_12 C1_12 C3_12 87.5(4) . . . . ?
Al4 O1_12 C1_12 C2_12 -34.4(5) . . . . ?
Al4 O1_12 C1_12 C4_12 -153.6(3) . . . . ?
O1_12 C1_12 C2_12 F2_12 163.9(2) . . . . ?
C3_12 C1_12 C2_12 F2_12 42.0(3) . . . . ?
C4_12 C1_12 C2_12 F2_12 -77.9(3) . . . . ?
O1_12 C1_12 C2_12 F1_12 -74.9(3) . . . . ?
C3_12 C1_12 C2_12 F1_12 163.2(2) . . . . ?
C4_12 C1_12 C2_12 F1_12 43.4(3) . . . . ?
O1_12 C1_12 C2_12 F3_12 42.9(3) . . . . ?
C3_12 C1_12 C2_12 F3_12 -79.0(3) . . . . ?
C4_12 C1_12 C2_12 F3_12 161.2(2) . . . . ?
O1_12 C1_12 C3_12 F4_12 45.1(3) . . . . ?
C2_12 C1_12 C3_12 F4_12 168.0(2) . . . . ?
C4_12 C1_12 C3_12 F4_12 -72.4(3) . . . . ?
O1_12 C1_12 C3_12 F6_12 165.4(2) . . . . ?
C2_12 C1_12 C3_12 F6_12 -71.7(3) . . . . ?
C4_12 C1_12 C3_12 F6_12 47.8(3) . . . . ?
O1_12 C1_12 C3_12 F5_12 -74.2(3) . . . . ?
C2_12 C1_12 C3_12 F5_12 48.7(3) . . . . ?
C4_12 C1_12 C3_12 F5_12 168.3(2) . . . . ?
O1_12 C1_12 C4_12 F9_12 49.4(3) . . . . ?
C3_12 C1_12 C4_12 F9_12 168.4(2) . . . . ?
C2_12 C1_12 C4_12 F9_12 -71.5(3) . . . . ?
O1_12 C1_12 C4_12 F7_12 -70.1(3) . . . . ?
C3_12 C1_12 C4_12 F7_12 49.0(3) . . . . ?
C2_12 C1_12 C4_12 F7_12 169.1(2) . . . . ?
O1_12 C1_12 C4_12 F8_12 169.9(2) . . . . ?
C3_12 C1_12 C4_12 F8_12 -71.1(3) . . . . ?
C2_12 C1_12 C4_12 F8_12 49.0(3) . . . . ?
O1_14 Al4 O1_13 C1_13 -0.6(4) . . . . ?
O1_12 Al4 O1_13 C1_13 133.4(4) . . . . ?
F4 Al4 O1_13 C1_13 -117.5(4) . . . . ?
Al4 O1_13 C1_13 C3_13 61.6(4) . . . . ?
Al4 O1_13 C1_13 C2_13 -60.0(4) . . . . ?
Al4 O1_13 C1_13 C4_13 -178.1(3) . . . . ?
O1_13 C1_13 C2_13 F2_13 166.0(2) . . . . ?
C3_13 C1_13 C2_13 F2_13 43.6(3) . . . . ?
C4_13 C1_13 C2_13 F2_13 -76.9(3) . . . . ?
O1_13 C1_13 C2_13 F1_13 -72.7(3) . . . . ?
C3_13 C1_13 C2_13 F1_13 164.9(2) . . . . ?
C4_13 C1_13 C2_13 F1_13 44.4(3) . . . . ?
O1_13 C1_13 C2_13 F3_13 46.1(3) . . . . ?
C3_13 C1_13 C2_13 F3_13 -76.2(3) . . . . ?
C4_13 C1_13 C2_13 F3_13 163.2(2) . . . . ?
O1_13 C1_13 C3_13 F6_13 160.9(2) . . . . ?
C2_13 C1_13 C3_13 F6_13 -77.6(3) . . . . ?
C4_13 C1_13 C3_13 F6_13 42.3(3) . . . . ?
O1_13 C1_13 C3_13 F4_13 40.0(3) . . . . ?
C2_13 C1_13 C3_13 F4_13 161.5(2) . . . . ?
C4_13 C1_13 C3_13 F4_13 -78.6(3) . . . . ?
O1_13 C1_13 C3_13 F5_13 -78.6(3) . . . . ?
C2_13 C1_13 C3_13 F5_13 42.9(3) . . . . ?
C4_13 C1_13 C3_13 F5_13 162.7(2) . . . . ?
O1_13 C1_13 C4_13 F7_13 -77.6(3) . . . . ?
C3_13 C1_13 C4_13 F7_13 43.4(3) . . . . ?
C2_13 C1_13 C4_13 F7_13 163.8(2) . . . . ?
O1_13 C1_13 C4_13 F9_13 41.8(3) . . . . ?
C3_13 C1_13 C4_13 F9_13 162.8(2) . . . . ?
C2_13 C1_13 C4_13 F9_13 -76.8(3) . . . . ?
O1_13 C1_13 C4_13 F8_13 162.0(2) . . . . ?
C3_13 C1_13 C4_13 F8_13 -77.0(3) . . . . ?
C2_13 C1_13 C4_13 F8_13 43.3(3) . . . . ?
O1_13 Al4 O1_14 C1_14 -155.4(4) . . . . ?
O1_12 Al4 O1_14 C1_14 71.2(4) . . . . ?
F4 Al4 O1_14 C1_14 -40.3(4) . . . . ?
Al4 O1_14 C1_14 C2_14 -0.4(5) . . . . ?
Al4 O1_14 C1_14 C3_14 -121.1(4) . . . . ?
Al4 O1_14 C1_14 C4_14 120.2(4) . . . . ?
O1_14 C1_14 C2_14 F2_14 -164.3(2) . . . . ?
C3_14 C1_14 C2_14 F2_14 -43.5(3) . . . . ?
C4_14 C1_14 C2_14 F2_14 76.1(3) . . . . ?
O1_14 C1_14 C2_14 F3_14 -42.6(3) . . . . ?
C3_14 C1_14 C2_14 F3_14 78.2(3) . . . . ?
C4_14 C1_14 C2_14 F3_14 -162.2(2) . . . . ?
O1_14 C1_14 C2_14 F1_14 74.8(3) . . . . ?
C3_14 C1_14 C2_14 F1_14 -164.5(2) . . . . ?
C4_14 C1_14 C2_14 F1_14 -44.9(3) . . . . ?
O1_14 C1_14 C3_14 F5_14 77.2(3) . . . . ?
C2_14 C1_14 C3_14 F5_14 -44.9(3) . . . . ?
C4_14 C1_14 C3_14 F5_14 -164.9(2) . . . . ?
O1_14 C1_14 C3_14 F6_14 -161.2(2) . . . . ?
C2_14 C1_14 C3_14 F6_14 76.7(3) . . . . ?
C4_14 C1_14 C3_14 F6_14 -43.2(3) . . . . ?
O1_14 C1_14 C3_14 F4_14 -41.8(3) . . . . ?
C2_14 C1_14 C3_14 F4_14 -163.9(2) . . . . ?
C4_14 C1_14 C3_14 F4_14 76.2(3) . . . . ?
O1_14 C1_14 C4_14 F8_14 -165.8(2) . . . . ?
C2_14 C1_14 C4_14 F8_14 -44.0(3) . . . . ?
C3_14 C1_14 C4_14 F8_14 75.5(3) . . . . ?
O1_14 C1_14 C4_14 F9_14 -45.0(3) . . . . ?
C2_14 C1_14 C4_14 F9_14 76.8(3) . . . . ?
C3_14 C1_14 C4_14 F9_14 -163.7(2) . . . . ?
O1_14 C1_14 C4_14 F7_14 73.4(3) . . . . ?
C2_14 C1_14 C4_14 F7_14 -164.9(2) . . . . ?
C3_14 C1_14 C4_14 F7_14 -45.4(3) . . . . ?
O1_11 Al3 O1_15 C1_15 141(6) . . . . ?
O1_16 Al3 O1_15 C1_15 5(7) . . . . ?
F3 Al3 O1_15 C1_15 -109(7) . . . . ?
Al3 O1_15 C1_15 C4_15 57(7) . . . . ?
Al3 O1_15 C1_15 C3_15 -64(7) . . . . ?
Al3 O1_15 C1_15 C2_15 177(7) . . . . ?
O1_15 C1_15 C2_15 F3_15 50(2) . . . . ?
C4_15 C1_15 C2_15 F3_15 167(2) . . . . ?
C3_15 C1_15 C2_15 F3_15 -69(2) . . . . ?
O1_15 C1_15 C2_15 F1_15 -73(3) . . . . ?
C4_15 C1_15 C2_15 F1_15 45(3) . . . . ?
C3_15 C1_15 C2_15 F1_15 168(2) . . . . ?
O1_15 C1_15 C2_15 F2_15 169(2) . . . . ?
C4_15 C1_15 C2_15 F2_15 -74(3) . . . . ?
C3_15 C1_15 C2_15 F2_15 50(2) . . . . ?
O1_15 C1_15 C3_15 F5_15 -78(3) . . . . ?
C4_15 C1_15 C3_15 F5_15 165(2) . . . . ?
C2_15 C1_15 C3_15 F5_15 41(2) . . . . ?
O1_15 C1_15 C3_15 F4_15 43(3) . . . . ?
C4_15 C1_15 C3_15 F4_15 -75(3) . . . . ?
C2_15 C1_15 C3_15 F4_15 162(3) . . . . ?
O1_15 C1_15 C3_15 F6_15 167(3) . . . . ?
C4_15 C1_15 C3_15 F6_15 49(3) . . . . ?
C2_15 C1_15 C3_15 F6_15 -75(3) . . . . ?
O1_15 C1_15 C4_15 F8_15 162(2) . . . . ?
C3_15 C1_15 C4_15 F8_15 -78(2) . . . . ?
C2_15 C1_15 C4_15 F8_15 44(2) . . . . ?
O1_15 C1_15 C4_15 F9_15 39(3) . . . . ?
C3_15 C1_15 C4_15 F9_15 159(3) . . . . ?
C2_15 C1_15 C4_15 F9_15 -79(3) . . . . ?
O1_15 C1_15 C4_15 F7_15 -82(2) . . . . ?
C3_15 C1_15 C4_15 F7_15 37(2) . . . . ?
C2_15 C1_15 C4_15 F7_15 160(2) . . . . ?
O1_15 Al3 O1_16 C1_16 -151(3) . . . . ?
O1_11 Al3 O1_16 C1_16 75(3) . . . . ?
F3 Al3 O1_16 C1_16 -36(3) . . . . ?
Al3 O1_16 C1_16 C3_16 60(3) . . . . ?
Al3 O1_16 C1_16 C2_16 -62(3) . . . . ?
Al3 O1_16 C1_16 C4_16 179(2) . . . . ?
O1_16 C1_16 C2_16 F3_16 46.2(15) . . . . ?
C3_16 C1_16 C2_16 F3_16 -75.5(13) . . . . ?
C4_16 C1_16 C2_16 F3_16 162.1(11) . . . . ?
O1_16 C1_16 C2_16 F1_16 -77.2(13) . . . . ?
C3_16 C1_16 C2_16 F1_16 161.1(9) . . . . ?
C4_16 C1_16 C2_16 F1_16 38.7(12) . . . . ?
O1_16 C1_16 C2_16 F2_16 164.6(13) . . . . ?
C3_16 C1_16 C2_16 F2_16 43.0(14) . . . . ?
C4_16 C1_16 C2_16 F2_16 -79.4(13) . . . . ?
O1_16 C1_16 C3_16 F5_16 -77.9(13) . . . . ?
C2_16 C1_16 C3_16 F5_16 43.9(12) . . . . ?
C4_16 C1_16 C3_16 F5_16 166.3(9) . . . . ?
O1_16 C1_16 C3_16 F4_16 42.2(15) . . . . ?
C2_16 C1_16 C3_16 F4_16 164.0(12) . . . . ?
C4_16 C1_16 C3_16 F4_16 -73.6(13) . . . . ?
O1_16 C1_16 C3_16 F6_16 160.4(10) . . . . ?
C2_16 C1_16 C3_16 F6_16 -77.8(10) . . . . ?
C4_16 C1_16 C3_16 F6_16 44.7(11) . . . . ?
O1_16 C1_16 C4_16 F7_16 -77.0(15) . . . . ?
C3_16 C1_16 C4_16 F7_16 41.8(15) . . . . ?
C2_16 C1_16 C4_16 F7_16 163.9(12) . . . . ?
O1_16 C1_16 C4_16 F8_16 164.1(10) . . . . ?
C3_16 C1_16 C4_16 F8_16 -77.1(11) . . . . ?
C2_16 C1_16 C4_16 F8_16 44.9(11) . . . . ?
O1_16 C1_16 C4_16 F9_16 46.7(15) . . . . ?
C3_16 C1_16 C4_16 F9_16 165.5(11) . . . . ?
C2_16 C1_16 C4_16 F9_16 -72.5(13) . . . . ?
O1_4 Al2 O1_17 C1_17 75(3) . . . . ?
O1_5 Al2 O1_17 C1_17 -54(3) . . . . ?
F2 Al2 O1_17 C1_17 -169(2) . . . . ?
Al2 O1_17 C1_17 C3_17 -58(3) . . . . ?
Al2 O1_17 C1_17 C4_17 62(3) . . . . ?
Al2 O1_17 C1_17 C2_17 -177(2) . . . . ?
O1_17 C1_17 C2_17 F3_17 46.2(16) . . . . ?
C3_17 C1_17 C2_17 F3_17 -73.2(13) . . . . ?
C4_17 C1_17 C2_17 F3_17 165.9(11) . . . . ?
O1_17 C1_17 C2_17 F2_17 168.8(12) . . . . ?
C3_17 C1_17 C2_17 F2_17 49.3(12) . . . . ?
C4_17 C1_17 C2_17 F2_17 -71.5(12) . . . . ?
O1_17 C1_17 C2_17 F1_17 -75.0(13) . . . . ?
C3_17 C1_17 C2_17 F1_17 165.5(9) . . . . ?
C4_17 C1_17 C2_17 F1_17 44.7(12) . . . . ?
O1_17 C1_17 C3_17 F5_17 -79.0(14) . . . . ?
C4_17 C1_17 C3_17 F5_17 161.4(12) . . . . ?
C2_17 C1_17 C3_17 F5_17 40.2(14) . . . . ?
O1_17 C1_17 C3_17 F4_17 40.3(15) . . . . ?
C4_17 C1_17 C3_17 F4_17 -79.3(13) . . . . ?
C2_17 C1_17 C3_17 F4_17 159.5(11) . . . . ?
O1_17 C1_17 C3_17 F6_17 157.8(10) . . . . ?
C4_17 C1_17 C3_17 F6_17 38.2(12) . . . . ?
C2_17 C1_17 C3_17 F6_17 -83.0(11) . . . . ?
O1_17 C1_17 C4_17 F9_17 41.4(17) . . . . ?
C3_17 C1_17 C4_17 F9_17 161.3(14) . . . . ?
C2_17 C1_17 C4_17 F9_17 -78.3(15) . . . . ?
O1_17 C1_17 C4_17 F8_17 164.2(10) . . . . ?
C3_17 C1_17 C4_17 F8_17 -76.0(11) . . . . ?
C2_17 C1_17 C4_17 F8_17 44.5(12) . . . . ?
O1_17 C1_17 C4_17 F7_17 -77.4(13) . . . . ?
C3_17 C1_17 C4_17 F7_17 42.4(13) . . . . ?
C2_17 C1_17 C4_17 F7_17 162.9(11) . . . . ?
W1 O1_18 C1_18 C3_18 -46(2) . . . . ?
W1 O1_18 C1_18 C2_18 76.2(19) . . . . ?
W1 O1_18 C1_18 C4_18 -165.5(13) . . . . ?
O1_18 C1_18 C2_18 F3_18 -49.4(17) . . . . ?
C3_18 C1_18 C2_18 F3_18 72.9(15) . . . . ?
C4_18 C1_18 C2_18 F3_18 -165.4(13) . . . . ?
O1_18 C1_18 C2_18 F2_18 -172.3(13) . . . . ?
C3_18 C1_18 C2_18 F2_18 -50.1(16) . . . . ?
C4_18 C1_18 C2_18 F2_18 71.7(15) . . . . ?
O1_18 C1_18 C2_18 F1_18 65.2(14) . . . . ?
C3_18 C1_18 C2_18 F1_18 -172.6(11) . . . . ?
C4_18 C1_18 C2_18 F1_18 -50.8(14) . . . . ?
O1_18 C1_18 C3_18 F5_18 72.7(14) . . . . ?
C2_18 C1_18 C3_18 F5_18 -48.1(14) . . . . ?
C4_18 C1_18 C3_18 F5_18 -170.0(11) . . . . ?
O1_18 C1_18 C3_18 F4_18 -47.0(15) . . . . ?
C2_18 C1_18 C3_18 F4_18 -167.8(11) . . . . ?
C4_18 C1_18 C3_18 F4_18 70.3(14) . . . . ?
O1_18 C1_18 C3_18 F6_18 -165.7(12) . . . . ?
C2_18 C1_18 C3_18 F6_18 73.4(15) . . . . ?
C4_18 C1_18 C3_18 F6_18 -48.5(15) . . . . ?
O1_18 C1_18 C4_18 F9_18 -42.0(14) . . . . ?
C3_18 C1_18 C4_18 F9_18 -162.1(11) . . . . ?
C2_18 C1_18 C4_18 F9_18 75.3(14) . . . . ?
O1_18 C1_18 C4_18 F8_18 -161.1(11) . . . . ?
C3_18 C1_18 C4_18 F8_18 78.8(13) . . . . ?
C2_18 C1_18 C4_18 F8_18 -43.8(14) . . . . ?
O1_18 C1_18 C4_18 F7_18 79.9(13) . . . . ?
C3_18 C1_18 C4_18 F7_18 -40.2(14) . . . . ?
C2_18 C1_18 C4_18 F7_18 -162.7(11) . . . . ?
O1_11 Al3 O1_20 C1_20 168(3) . . . . ?
F3 Al3 O1_20 C1_20 -80(3) . . . . ?
Al3 O1_20 C1_20 C2_20 174(3) . . . . ?
Al3 O1_20 C1_20 C4_20 -66(3) . . . . ?
Al3 O1_20 C1_20 C3_20 53(3) . . . . ?
O1_20 C1_20 C2_20 F3_20 -46.4(13) . . . . ?
C4_20 C1_20 C2_20 F3_20 -165.6(9) . . . . ?
C3_20 C1_20 C2_20 F3_20 74.2(11) . . . . ?
O1_20 C1_20 C2_20 F1_20 74.0(12) . . . . ?
C4_20 C1_20 C2_20 F1_20 -45.2(11) . . . . ?
C3_20 C1_20 C2_20 F1_20 -165.3(8) . . . . ?
O1_20 C1_20 C2_20 F2_20 -167.8(13) . . . . ?
C4_20 C1_20 C2_20 F2_20 73.0(14) . . . . ?
C3_20 C1_20 C2_20 F2_20 -47.1(14) . . . . ?
O1_20 C1_20 C3_20 F5_20 79.9(12) . . . . ?
C2_20 C1_20 C3_20 F5_20 -40.3(12) . . . . ?
C4_20 C1_20 C3_20 F5_20 -161.6(9) . . . . ?
O1_20 C1_20 C3_20 F4_20 -40.5(13) . . . . ?
C2_20 C1_20 C3_20 F4_20 -160.8(9) . . . . ?
C4_20 C1_20 C3_20 F4_20 77.9(10) . . . . ?
O1_20 C1_20 C3_20 F6_20 -159.1(16) . . . . ?
C2_20 C1_20 C3_20 F6_20 80.7(16) . . . . ?
C4_20 C1_20 C3_20 F6_20 -40.7(16) . . . . ?
O1_20 C1_20 C4_20 F7_20 76.9(11) . . . . ?
C2_20 C1_20 C4_20 F7_20 -163.3(8) . . . . ?
C3_20 C1_20 C4_20 F7_20 -42.6(11) . . . . ?
O1_20 C1_20 C4_20 F8_20 -164.4(12) . . . . ?
C2_20 C1_20 C4_20 F8_20 -44.7(14) . . . . ?
C3_20 C1_20 C4_20 F8_20 76.1(13) . . . . ?
O1_20 C1_20 C4_20 F9_20 -44.5(13) . . . . ?
C2_20 C1_20 C4_20 F9_20 75.2(11) . . . . ?
C3_20 C1_20 C4_20 F9_20 -164.0(9) . . . . ?
O1_23 Al1 O1_21 C1_21 -89.6(17) . . . . ?
O1_22 Al1 O1_21 C1_21 42.7(19) . . . . ?
F1 Al1 O1_21 C1_21 156.9(17) . . . . ?
Al1 O1_21 C1_21 C2_21 48(2) . . . . ?
Al1 O1_21 C1_21 C4_21 -67(2) . . . . ?
Al1 O1_21 C1_21 C3_21 170.9(12) . . . . ?
O1_21 C1_21 C2_21 F2_21 -162.4(14) . . . . ?
C4_21 C1_21 C2_21 F2_21 -45.6(17) . . . . ?
C3_21 C1_21 C2_21 F2_21 77.3(17) . . . . ?
O1_21 C1_21 C2_21 F3_21 67.6(18) . . . . ?
C4_21 C1_21 C2_21 F3_21 -175.6(14) . . . . ?
C3_21 C1_21 C2_21 F3_21 -52.7(17) . . . . ?
O1_21 C1_21 C2_21 F1_21 -43.2(17) . . . . ?
C4_21 C1_21 C2_21 F1_21 73.6(16) . . . . ?
C3_21 C1_21 C2_21 F1_21 -163.5(15) . . . . ?
O1_21 C1_21 C3_21 F5_21 -46.1(14) . . . . ?
C2_21 C1_21 C3_21 F5_21 74.1(13) . . . . ?
C4_21 C1_21 C3_21 F5_21 -166.5(11) . . . . ?
O1_21 C1_21 C3_21 F4_21 77.4(13) . . . . ?
C2_21 C1_21 C3_21 F4_21 -162.4(11) . . . . ?
C4_21 C1_21 C3_21 F4_21 -43.0(14) . . . . ?
O1_21 C1_21 C3_21 F6_21 -166.8(11) . . . . ?
C2_21 C1_21 C3_21 F6_21 -46.6(14) . . . . ?
C4_21 C1_21 C3_21 F6_21 72.7(13) . . . . ?
O1_21 C1_21 C4_21 F8_21 -168.9(12) . . . . ?
C2_21 C1_21 C4_21 F8_21 74.5(14) . . . . ?
C3_21 C1_21 C4_21 F8_21 -48.6(15) . . . . ?
O1_21 C1_21 C4_21 F7_21 -46.3(15) . . . . ?
C2_21 C1_21 C4_21 F7_21 -162.9(12) . . . . ?
C3_21 C1_21 C4_21 F7_21 74.1(14) . . . . ?
O1_21 C1_21 C4_21 F9_21 74.2(14) . . . . ?
C2_21 C1_21 C4_21 F9_21 -42.4(14) . . . . ?
C3_21 C1_21 C4_21 F9_21 -165.5(11) . . . . ?
O1_23 Al1 O1_22 C1_22 71.2(12) . . . . ?
O1_21 Al1 O1_22 C1_22 -64.1(14) . . . . ?
F1 Al1 O1_22 C1_22 -179.1(11) . . . . ?
Al1 O1_22 C1_22 C3_22 -15.6(15) . . . . ?
Al1 O1_22 C1_22 C4_22 -136.6(11) . . . . ?
Al1 O1_22 C1_22 C2_22 104.7(12) . . . . ?
O1_22 C1_22 C2_22 F1_22 73.3(9) . . . . ?
C3_22 C1_22 C2_22 F1_22 -165.0(8) . . . . ?
C4_22 C1_22 C2_22 F1_22 -44.6(9) . . . . ?
O1_22 C1_22 C2_22 F2_22 -164.4(7) . . . . ?
C3_22 C1_22 C2_22 F2_22 -42.7(9) . . . . ?
C4_22 C1_22 C2_22 F2_22 77.7(9) . . . . ?
O1_22 C1_22 C2_22 F3_22 -45.1(9) . . . . ?
C3_22 C1_22 C2_22 F3_22 76.5(8) . . . . ?
C4_22 C1_22 C2_22 F3_22 -163.0(6) . . . . ?
O1_22 C1_22 C3_22 F5_22 80.5(9) . . . . ?
C4_22 C1_22 C3_22 F5_22 -159.6(8) . . . . ?
C2_22 C1_22 C3_22 F5_22 -39.6(10) . . . . ?
O1_22 C1_22 C3_22 F4_22 -38.6(10) . . . . ?
C4_22 C1_22 C3_22 F4_22 81.3(9) . . . . ?
C2_22 C1_22 C3_22 F4_22 -158.7(8) . . . . ?
O1_22 C1_22 C3_22 F6_22 -156.7(9) . . . . ?
C4_22 C1_22 C3_22 F6_22 -36.9(10) . . . . ?
C2_22 C1_22 C3_22 F6_22 83.2(9) . . . . ?
O1_22 C1_22 C4_22 F9_22 -44.2(8) . . . . ?
C3_22 C1_22 C4_22 F9_22 -165.9(6) . . . . ?
C2_22 C1_22 C4_22 F9_22 74.1(8) . . . . ?
O1_22 C1_22 C4_22 F8_22 -164.0(6) . . . . ?
C3_22 C1_22 C4_22 F8_22 74.2(8) . . . . ?
C2_22 C1_22 C4_22 F8_22 -45.7(8) . . . . ?
O1_22 C1_22 C4_22 F7_22 76.9(7) . . . . ?
C3_22 C1_22 C4_22 F7_22 -44.9(8) . . . . ?
C2_22 C1_22 C4_22 F7_22 -164.8(6) . . . . ?
O1_21 Al1 O1_23 C1_23 -65(2) . . . . ?
O1_22 Al1 O1_23 C1_23 149(2) . . . . ?
F1 Al1 O1_23 C1_23 45(2) . . . . ?
Al1 O1_23 C1_23 C3_23 119(2) . . . . ?
Al1 O1_23 C1_23 C4_23 -120(2) . . . . ?
Al1 O1_23 C1_23 C2_23 -1(3) . . . . ?
O1_23 C1_23 C2_23 F3_23 43.8(14) . . . . ?
C3_23 C1_23 C2_23 F3_23 -76.4(12) . . . . ?
C4_23 C1_23 C2_23 F3_23 162.2(10) . . . . ?
O1_23 C1_23 C2_23 F1_23 -73.2(13) . . . . ?
C3_23 C1_23 C2_23 F1_23 166.6(12) . . . . ?
C4_23 C1_23 C2_23 F1_23 45.2(14) . . . . ?
O1_23 C1_23 C2_23 F2_23 165.5(10) . . . . ?
C3_23 C1_23 C2_23 F2_23 45.3(13) . . . . ?
C4_23 C1_23 C2_23 F2_23 -76.1(12) . . . . ?
O1_23 C1_23 C3_23 F5_23 -76.8(12) . . . . ?
C4_23 C1_23 C3_23 F5_23 163.7(10) . . . . ?
C2_23 C1_23 C3_23 F5_23 43.6(13) . . . . ?
O1_23 C1_23 C3_23 F6_23 162.0(13) . . . . ?
C4_23 C1_23 C3_23 F6_23 42.4(15) . . . . ?
C2_23 C1_23 C3_23 F6_23 -77.6(14) . . . . ?
O1_23 C1_23 C3_23 F4_23 43.9(14) . . . . ?
C4_23 C1_23 C3_23 F4_23 -75.7(13) . . . . ?
C2_23 C1_23 C3_23 F4_23 164.3(12) . . . . ?
O1_23 C1_23 C4_23 F9_23 43.3(12) . . . . ?
C3_23 C1_23 C4_23 F9_23 163.7(9) . . . . ?
C2_23 C1_23 C4_23 F9_23 -76.3(11) . . . . ?
O1_23 C1_23 C4_23 F8_23 165.4(9) . . . . ?
C3_23 C1_23 C4_23 F8_23 -74.1(11) . . . . ?
C2_23 C1_23 C4_23 F8_23 45.9(12) . . . . ?
O1_23 C1_23 C4_23 F7_23 -75.9(11) . . . . ?
C3_23 C1_23 C4_23 F7_23 44.6(12) . . . . ?
C2_23 C1_23 C4_23 F7_23 164.6(9) . . . . ?
F1 Al1 O1_24 C1_24 160(2) . . . . ?
Al1 O1_24 C1_24 C4_24 -48(2) . . . . ?
Al1 O1_24 C1_24 C2_24 67(2) . . . . ?
Al1 O1_24 C1_24 C3_24 -170.4(19) . . . . ?
O1_24 C1_24 C2_24 F2_24 -172(2) . . . . ?
C4_24 C1_24 C2_24 F2_24 -55(2) . . . . ?
C3_24 C1_24 C2_24 F2_24 71(2) . . . . ?
O1_24 C1_24 C2_24 F3_24 64.3(17) . . . . ?
C4_24 C1_24 C2_24 F3_24 -178.7(15) . . . . ?
C3_24 C1_24 C2_24 F3_24 -52.5(17) . . . . ?
O1_24 C1_24 C2_24 F1_24 -48.7(19) . . . . ?
C4_24 C1_24 C2_24 F1_24 68.3(17) . . . . ?
C3_24 C1_24 C2_24 F1_24 -165.5(16) . . . . ?
O1_24 C1_24 C3_24 F5_24 -36(2) . . . . ?
C4_24 C1_24 C3_24 F5_24 -156(2) . . . . ?
C2_24 C1_24 C3_24 F5_24 81(2) . . . . ?
O1_24 C1_24 C3_24 F4_24 84.5(17) . . . . ?
C4_24 C1_24 C3_24 F4_24 -35.2(19) . . . . ?
C2_24 C1_24 C3_24 F4_24 -157.8(16) . . . . ?
O1_24 C1_24 C3_24 F6_24 -158.9(19) . . . . ?
C4_24 C1_24 C3_24 F6_24 81(2) . . . . ?
C2_24 C1_24 C3_24 F6_24 -41(2) . . . . ?
O1_24 C1_24 C4_24 F8_24 -168.3(14) . . . . ?
C2_24 C1_24 C4_24 F8_24 76.3(16) . . . . ?
C3_24 C1_24 C4_24 F8_24 -50.8(18) . . . . ?
O1_24 C1_24 C4_24 F7_24 -47.2(18) . . . . ?
C2_24 C1_24 C4_24 F7_24 -162.6(15) . . . . ?
C3_24 C1_24 C4_24 F7_24 70.3(19) . . . . ?
O1_24 C1_24 C4_24 F9_24 79.0(17) . . . . ?
C2_24 C1_24 C4_24 F9_24 -36.5(18) . . . . ?
C3_24 C1_24 C4_24 F9_24 -163.5(15) . . . . ?
W2 O1_19 C1_19 C2_19 -81(2) . . . . ?
W2 O1_19 C1_19 C4_19 158.4(14) . . . . ?
W2 O1_19 C1_19 C3_19 38(2) . . . . ?
O1_19 C1_19 C2_19 F3_19 46.9(16) . . . . ?
C4_19 C1_19 C2_19 F3_19 165.9(12) . . . . ?
C3_19 C1_19 C2_19 F3_19 -72.4(15) . . . . ?
O1_19 C1_19 C2_19 F1_19 -67.7(13) . . . . ?
C4_19 C1_19 C2_19 F1_19 51.2(14) . . . . ?
C3_19 C1_19 C2_19 F1_19 173.0(11) . . . . ?
O1_19 C1_19 C2_19 F2_19 168.8(13) . . . . ?
C4_19 C1_19 C2_19 F2_19 -72.3(16) . . . . ?
C3_19 C1_19 C2_19 F2_19 49.5(16) . . . . ?
O1_19 C1_19 C3_19 F5_19 -68.2(13) . . . . ?
C2_19 C1_19 C3_19 F5_19 50.8(13) . . . . ?
C4_19 C1_19 C3_19 F5_19 173.0(11) . . . . ?
O1_19 C1_19 C3_19 F4_19 50.1(15) . . . . ?
C2_19 C1_19 C3_19 F4_19 169.1(12) . . . . ?
C4_19 C1_19 C3_19 F4_19 -68.7(14) . . . . ?
O1_19 C1_19 C3_19 F6_19 167.0(11) . . . . ?
C2_19 C1_19 C3_19 F6_19 -74.0(13) . . . . ?
C4_19 C1_19 C3_19 F6_19 48.1(14) . . . . ?
O1_19 C1_19 C4_19 F8_19 168.8(11) . . . . ?
C2_19 C1_19 C4_19 F8_19 49.4(15) . . . . ?
C3_19 C1_19 C4_19 F8_19 -71.6(14) . . . . ?
O1_19 C1_19 C4_19 F9_19 48.4(15) . . . . ?
C2_19 C1_19 C4_19 F9_19 -71.0(14) . . . . ?
C3_19 C1_19 C4_19 F9_19 168.0(11) . . . . ?
O1_19 C1_19 C4_19 F7_19 -71.7(14) . . . . ?
C2_19 C1_19 C4_19 F7_19 168.9(12) . . . . ?
C3_19 C1_19 C4_19 F7_19 47.9(15) . . . . ?
