#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:03:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179738 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/34/7003460.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_7003460
loop_
_publ_author_name
'Macdonald, Charles L. B.'
'Gorden, John D.'
'Voigt, Andreas'
'Filipponi, Silvia'
'Cowley, Alan H.'
_publ_section_title
;
 Group 13 decamethylmetallocenium cations
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1161
_journal_page_last               1176
_journal_paper_doi               10.1039/b716220k
_journal_year                    2008
_chemical_formula_moiety         'C32 H30 Al2 Cl2 F10'
_chemical_formula_sum            'C32 H30 Al2 Cl2 F10'
_chemical_formula_weight         729.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.299(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   11.3045(8)
_cell_length_b                   29.205(3)
_cell_length_c                   15.4522(10)
_cell_measurement_reflns_used    73
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      2.77
_cell_volume                     4843.5(7)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.830
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6350
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        2.07
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.336
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         5253
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                3690
_reflns_number_total             5253
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b716220k.txt
_cod_data_source_block           14
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4843.6(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7003460
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C37 C 0.2501(6) 0.5738(3) 0.9629(4) 0.081(2) Uani 1 1 d . . .
C41 C 0.4020(10) 0.5940(4) 0.8693(5) 0.217(7) Uani 1 1 d . . .
H41A H 0.4886 0.5838 0.8838 0.325 Uiso 1 1 calc R . .
H41B H 0.3947 0.6255 0.8463 0.325 Uiso 1 1 calc R . .
H41C H 0.3479 0.5739 0.8228 0.325 Uiso 1 1 calc R . .
C42 C 0.1472(7) 0.5497(3) 0.8889(5) 0.196(6) Uani 1 1 d . . .
H42A H 0.1128 0.5248 0.9161 0.294 Uiso 1 1 calc R . .
H42B H 0.1815 0.5371 0.8430 0.294 Uiso 1 1 calc R . .
H42C H 0.0810 0.5716 0.8599 0.294 Uiso 1 1 calc R . .
C1 C -0.0419(4) 0.83162(19) 0.4828(3) 0.0407(13) Uani 1 1 d . . .
C2 C -0.0236(4) 0.8309(2) 0.3971(3) 0.0434(14) Uani 1 1 d . . .
C3 C 0.0866(4) 0.80711(18) 0.4046(2) 0.0358(13) Uani 1 1 d . . .
C4 C 0.1385(3) 0.79159(17) 0.4969(2) 0.0280(11) Uani 1 1 d . . .
C5 C 0.0567(4) 0.80767(17) 0.5448(2) 0.0284(11) Uani 1 1 d . . .
C6 C -0.1492(5) 0.8540(2) 0.5041(4) 0.0722(19) Uani 1 1 d . . .
H6A H -0.1400 0.8873 0.5033 0.108 Uiso 1 1 calc R . .
H6B H -0.1502 0.8442 0.5645 0.108 Uiso 1 1 calc R . .
H6C H -0.2275 0.8450 0.4582 0.108 Uiso 1 1 calc R . .
C7 C -0.1088(6) 0.8529(2) 0.3114(4) 0.089(3) Uani 1 1 d . . .
H7A H -0.1956 0.8492 0.3098 0.134 Uiso 1 1 calc R . .
H7B H -0.0969 0.8381 0.2579 0.134 Uiso 1 1 calc R . .
H7C H -0.0891 0.8855 0.3111 0.134 Uiso 1 1 calc R . .
C8 C 0.1475(5) 0.8015(2) 0.3313(3) 0.074(2) Uani 1 1 d . . .
H8A H 0.2015 0.8279 0.3322 0.110 Uiso 1 1 calc R . .
H8B H 0.0831 0.7996 0.2717 0.110 Uiso 1 1 calc R . .
H8C H 0.1974 0.7734 0.3424 0.110 Uiso 1 1 calc R . .
C9 C 0.2621(4) 0.7687(2) 0.5369(3) 0.0502(15) Uani 1 1 d . . .
H9A H 0.2749 0.7464 0.4932 0.075 Uiso 1 1 calc R . .
H9B H 0.2638 0.7529 0.5932 0.075 Uiso 1 1 calc R . .
H9C H 0.3284 0.7917 0.5504 0.075 Uiso 1 1 calc R . .
C10 C 0.0750(5) 0.8012(2) 0.6450(3) 0.0519(16) Uani 1 1 d . . .
H10A H 0.1001 0.8303 0.6770 0.078 Uiso 1 1 calc R . .
H10B H 0.1401 0.7782 0.6700 0.078 Uiso 1 1 calc R . .
H10C H -0.0032 0.7908 0.6532 0.078 Uiso 1 1 calc R . .
C11 C -0.2124(3) 0.75068(16) 0.3908(2) 0.0250(11) Uani 1 1 d . . .
C12 C -0.2898(4) 0.74982(17) 0.4440(2) 0.0303(12) Uani 1 1 d . . .
C13 C -0.4181(4) 0.74841(19) 0.4093(3) 0.0384(13) Uani 1 1 d . . .
C14 C -0.4733(4) 0.74796(19) 0.3166(3) 0.0422(14) Uani 1 1 d . . .
C15 C -0.4002(4) 0.74843(18) 0.2604(3) 0.0382(13) Uani 1 1 d . . .
C16 C -0.2735(3) 0.75004(17) 0.2980(2) 0.0290(11) Uani 1 1 d . . .
C17 C -0.0384(4) 0.58581(18) 0.3650(3) 0.0360(13) Uani 1 1 d . . .
C18 C -0.1120(4) 0.60307(18) 0.4173(3) 0.0337(12) Uani 1 1 d . . .
C19 C -0.0563(4) 0.58778(19) 0.5091(3) 0.0361(13) Uani 1 1 d . . .
C20 C 0.0504(4) 0.56249(19) 0.5134(3) 0.0381(13) Uani 1 1 d . . .
C21 C 0.0616(4) 0.56067(18) 0.4241(3) 0.0352(13) Uani 1 1 d . . .
C22 C -0.0676(5) 0.5907(2) 0.2629(3) 0.0586(17) Uani 1 1 d . . .
H22A H 0.0103 0.5923 0.2478 0.088 Uiso 1 1 calc R . .
H22B H -0.1156 0.6188 0.2424 0.088 Uiso 1 1 calc R . .
H22C H -0.1164 0.5643 0.2323 0.088 Uiso 1 1 calc R . .
C23 C -0.2338(4) 0.6289(2) 0.3822(3) 0.0553(16) Uani 1 1 d . . .
H23A H -0.3034 0.6073 0.3713 0.083 Uiso 1 1 calc R . .
H23B H -0.2379 0.6444 0.3251 0.083 Uiso 1 1 calc R . .
H23C H -0.2389 0.6516 0.4275 0.083 Uiso 1 1 calc R . .
C24 C -0.1108(5) 0.5957(2) 0.5855(3) 0.0635(18) Uani 1 1 d . . .
H24A H -0.1768 0.5732 0.5812 0.095 Uiso 1 1 calc R . .
H24B H -0.1457 0.6266 0.5806 0.095 Uiso 1 1 calc R . .
H24C H -0.0453 0.5923 0.6443 0.095 Uiso 1 1 calc R . .
C25 C 0.1381(5) 0.5398(2) 0.5965(3) 0.0609(17) Uani 1 1 d . . .
H25A H 0.1206 0.5508 0.6511 0.091 Uiso 1 1 calc R . .
H25B H 0.2243 0.5474 0.6008 0.091 Uiso 1 1 calc R . .
H25C H 0.1266 0.5066 0.5915 0.091 Uiso 1 1 calc R . .
C26 C 0.1621(5) 0.5361(2) 0.3987(4) 0.0592(16) Uani 1 1 d . . .
H26A H 0.1561 0.5031 0.4087 0.089 Uiso 1 1 calc R . .
H26B H 0.2437 0.5473 0.4364 0.089 Uiso 1 1 calc R . .
H26C H 0.1523 0.5417 0.3343 0.089 Uiso 1 1 calc R . .
C27 C 0.2432(3) 0.64127(16) 0.5119(2) 0.0262(11) Uani 1 1 d . . .
C28 C 0.3126(4) 0.64424(17) 0.6026(2) 0.0290(11) Uani 1 1 d . . .
C29 C 0.4403(4) 0.64723(18) 0.6337(3) 0.0369(13) Uani 1 1 d . . .
C30 C 0.5046(4) 0.6476(2) 0.5719(3) 0.0445(14) Uani 1 1 d . . .
C31 C 0.4414(4) 0.64480(19) 0.4811(3) 0.0393(13) Uani 1 1 d . . .
C32 C 0.3130(4) 0.64171(17) 0.4528(3) 0.0313(12) Uani 1 1 d . . .
Al1 Al 0.05836(10) 0.63901(5) 0.46619(7) 0.0258(3) Uani 1 1 d . . .
Al2 Al -0.02814(10) 0.75412(5) 0.44287(7) 0.0241(3) Uani 1 1 d . . .
Cl1 Cl 0.00894(8) 0.69628(4) 0.55489(6) 0.0274(3) Uani 1 1 d . . .
Cl2 Cl 0.02559(8) 0.69705(4) 0.35579(6) 0.0283(3) Uani 1 1 d . . .
F1 F 0.2533(2) 0.64389(10) 0.66654(14) 0.0426(8) Uani 1 1 d . . .
F2 F 0.5029(2) 0.65001(12) 0.72343(16) 0.0601(10) Uani 1 1 d . . .
F3 F 0.6298(2) 0.65164(13) 0.6005(2) 0.0720(11) Uani 1 1 d . . .
F4 F 0.5038(2) 0.64471(12) 0.41957(18) 0.0628(10) Uani 1 1 d . . .
F5 F 0.2560(2) 0.63829(10) 0.36170(14) 0.0442(8) Uani 1 1 d . . .
F6 F -0.2404(2) 0.75078(10) 0.53609(14) 0.0437(8) Uani 1 1 d . . .
F7 F -0.4891(2) 0.74741(11) 0.46485(17) 0.0559(9) Uani 1 1 d . . .
F8 F -0.5986(2) 0.74632(12) 0.28139(19) 0.0687(10) Uani 1 1 d . . .
F9 F -0.4551(2) 0.74833(11) 0.16937(15) 0.0572(9) Uani 1 1 d . . .
F10 F -0.2064(2) 0.75129(10) 0.23926(14) 0.0429(7) Uani 1 1 d . . .
C33 C 0.2475(4) 0.5836(2) 1.0508(3) 0.0485(15) Uani 1 1 d . . .
C34 C 0.3545(5) 0.6079(2) 1.0953(3) 0.0427(14) Uani 1 1 d . . .
C35 C 0.4267(5) 0.6129(2) 1.0378(4) 0.0602(18) Uani 1 1 d . . .
C36 C 0.3631(8) 0.5922(3) 0.9546(4) 0.085(3) Uani 1 1 d . . .
C38 C 0.1460(5) 0.5697(3) 1.0902(5) 0.105(3) Uani 1 1 d . . .
H38A H 0.1836 0.5608 1.1542 0.158 Uiso 1 1 calc R . .
H38B H 0.0993 0.5438 1.0556 0.158 Uiso 1 1 calc R . .
H38C H 0.0895 0.5956 1.0865 0.158 Uiso 1 1 calc R . .
C39 C 0.3880(6) 0.6253(2) 1.1919(3) 0.082(2) Uani 1 1 d . . .
H39A H 0.3402 0.6532 1.1933 0.123 Uiso 1 1 calc R . .
H39B H 0.4773 0.6323 1.2145 0.123 Uiso 1 1 calc R . .
H39C H 0.3683 0.6019 1.2306 0.123 Uiso 1 1 calc R . .
C40 C 0.5485(7) 0.6391(3) 1.0587(6) 0.141(4) Uani 1 1 d . . .
H40A H 0.5966 0.6352 1.1231 0.211 Uiso 1 1 calc R . .
H40B H 0.5308 0.6717 1.0459 0.211 Uiso 1 1 calc R . .
H40C H 0.5966 0.6274 1.0206 0.211 Uiso 1 1 calc R . .
C43 C 0.4339(4) 0.50970(17) 1.1681(3) 0.0310(12) Uani 1 1 d . . .
C44 C 0.3473(4) 0.48069(19) 1.1829(3) 0.0398(13) Uani 1 1 d . . .
C45 C 0.3511(5) 0.4650(2) 1.2686(3) 0.0541(16) Uani 1 1 d . . .
C46 C 0.4447(6) 0.4792(2) 1.3431(3) 0.0556(17) Uani 1 1 d . . .
C47 C 0.5332(4) 0.5084(2) 1.3325(3) 0.0430(14) Uani 1 1 d . . .
C48 C 0.5262(4) 0.52254(18) 1.2458(3) 0.0362(13) Uani 1 1 d . . .
Al3 Al 0.41840(12) 0.53756(5) 1.04764(8) 0.0320(4) Uani 1 1 d . . .
Cl3 Cl 0.37606(9) 0.47224(5) 0.95552(7) 0.0377(3) Uani 1 1 d . . .
F11 F 0.2496(2) 0.46611(12) 1.11190(17) 0.0574(9) Uani 1 1 d . . .
F12 F 0.2630(4) 0.43678(14) 1.2790(2) 0.0952(14) Uani 1 1 d . . .
F13 F 0.4508(4) 0.46435(13) 1.42654(17) 0.0860(13) Uani 1 1 d . . .
F14 F 0.6252(3) 0.52365(12) 1.40635(16) 0.0654(10) Uani 1 1 d . . .
F15 F 0.6166(2) 0.55160(11) 1.23933(15) 0.0486(8) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C33 C37 C36 107.6(5) . . ?
C33 C37 C42 125.4(8) . . ?
C36 C37 C42 127.0(8) . . ?
C33 C37 Al3 78.4(3) . . ?
C36 C37 Al3 66.8(3) . . ?
C42 C37 Al3 122.3(5) . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C2 C1 C5 108.4(4) . . ?
C2 C1 C6 125.5(5) . . ?
C5 C1 C6 126.1(4) . . ?
C2 C1 Al2 72.5(3) . . ?
C5 C1 Al2 66.3(3) . . ?
C6 C1 Al2 126.7(4) . . ?
C3 C2 C1 108.6(4) . . ?
C3 C2 C7 126.1(5) . . ?
C1 C2 C7 125.3(5) . . ?
C3 C2 Al2 66.7(3) . . ?
C1 C2 Al2 72.9(3) . . ?
C7 C2 Al2 126.7(4) . . ?
C2 C3 C4 108.4(4) . . ?
C2 C3 C8 126.5(4) . . ?
C4 C3 C8 124.9(5) . . ?
C2 C3 Al2 77.8(3) . . ?
C4 C3 Al2 66.8(2) . . ?
C8 C3 Al2 124.6(4) . . ?
C5 C4 C3 106.3(4) . . ?
C5 C4 C9 127.1(4) . . ?
C3 C4 C9 126.2(4) . . ?
C5 C4 Al2 74.6(2) . . ?
C3 C4 Al2 74.6(2) . . ?
C9 C4 Al2 122.2(4) . . ?
C1 C5 C4 108.2(3) . . ?
C1 C5 C10 125.8(4) . . ?
C4 C5 C10 125.9(4) . . ?
C1 C5 Al2 78.0(3) . . ?
C4 C5 Al2 66.8(2) . . ?
C10 C5 Al2 122.1(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 114.5(3) . . ?
C12 C11 Al2 122.8(3) . . ?
C16 C11 Al2 122.6(3) . . ?
F6 C12 C11 119.8(3) . . ?
F6 C12 C13 116.4(3) . . ?
C11 C12 C13 123.8(4) . . ?
F7 C13 C14 119.9(4) . . ?
F7 C13 C12 121.1(4) . . ?
C14 C13 C12 119.0(4) . . ?
F8 C14 C13 119.8(4) . . ?
F8 C14 C15 120.6(4) . . ?
C13 C14 C15 119.6(4) . . ?
F9 C15 C16 121.4(4) . . ?
F9 C15 C14 119.3(4) . . ?
C16 C15 C14 119.3(4) . . ?
F10 C16 C15 116.6(3) . . ?
F10 C16 C11 119.5(3) . . ?
C15 C16 C11 123.9(4) . . ?
C21 C17 C18 108.0(4) . . ?
C21 C17 C22 126.2(4) . . ?
C18 C17 C22 125.7(4) . . ?
C21 C17 Al1 78.0(3) . . ?
C18 C17 Al1 66.5(2) . . ?
C22 C17 Al1 124.2(3) . . ?
C17 C18 C19 107.4(4) . . ?
C17 C18 C23 127.1(4) . . ?
C19 C18 C23 125.3(4) . . ?
C17 C18 Al1 75.5(2) . . ?
C19 C18 Al1 74.5(2) . . ?
C23 C18 Al1 120.3(4) . . ?
C20 C19 C18 108.4(4) . . ?
C20 C19 C24 127.0(4) . . ?
C18 C19 C24 124.5(4) . . ?
C20 C19 Al1 78.1(3) . . ?
C18 C19 Al1 67.0(2) . . ?
C24 C19 Al1 123.5(4) . . ?
C19 C20 C21 108.2(4) . . ?
C19 C20 C25 126.8(4) . . ?
C21 C20 C25 125.0(5) . . ?
C19 C20 Al1 66.5(3) . . ?
C21 C20 Al1 73.3(3) . . ?
C25 C20 Al1 126.9(4) . . ?
C17 C21 C20 108.1(4) . . ?
C17 C21 C26 126.7(4) . . ?
C20 C21 C26 125.2(4) . . ?
C17 C21 Al1 66.4(3) . . ?
C20 C21 Al1 71.7(3) . . ?
C26 C21 Al1 127.6(3) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 114.2(4) . . ?
C28 C27 Al1 124.3(3) . . ?
C32 C27 Al1 121.4(3) . . ?
F1 C28 C29 116.8(3) . . ?
F1 C28 C27 119.1(3) . . ?
C29 C28 C27 124.1(4) . . ?
F2 C29 C30 119.6(4) . . ?
F2 C29 C28 121.3(4) . . ?
C30 C29 C28 119.1(4) . . ?
F3 C30 C31 120.0(4) . . ?
F3 C30 C29 120.3(4) . . ?
C31 C30 C29 119.7(4) . . ?
F4 C31 C30 120.3(4) . . ?
F4 C31 C32 120.4(4) . . ?
C30 C31 C32 119.3(4) . . ?
F5 C32 C31 116.3(3) . . ?
F5 C32 C27 120.1(3) . . ?
C31 C32 C27 123.6(4) . . ?
C27 Al1 C18 152.0(2) . . ?
C27 Al1 C19 124.45(19) . . ?
C18 Al1 C19 38.55(16) . . ?
C27 Al1 C17 120.12(18) . . ?
C18 Al1 C17 38.08(16) . . ?
C19 Al1 C17 62.30(16) . . ?
C27 Al1 Cl1 100.73(14) . . ?
C18 Al1 Cl1 101.90(13) . . ?
C19 Al1 Cl1 92.16(13) . . ?
C17 Al1 Cl1 138.92(13) . . ?
C27 Al1 Cl2 98.21(13) . . ?
C18 Al1 Cl2 100.38(13) . . ?
C19 Al1 Cl2 137.00(13) . . ?
C17 Al1 Cl2 93.59(13) . . ?
Cl1 Al1 Cl2 84.11(6) . . ?
C27 Al1 C20 93.40(18) . . ?
C18 Al1 C20 61.44(17) . . ?
C19 Al1 C20 35.42(16) . . ?
C17 Al1 C20 59.98(16) . . ?
Cl1 Al1 C20 117.18(12) . . ?
Cl2 Al1 C20 153.40(12) . . ?
C27 Al1 C21 91.40(17) . . ?
C18 Al1 C21 61.04(17) . . ?
C19 Al1 C21 59.54(16) . . ?
C17 Al1 C21 35.53(16) . . ?
Cl1 Al1 C21 150.92(12) . . ?
Cl2 Al1 C21 120.46(11) . . ?
C20 Al1 C21 34.96(14) . . ?
C11 Al2 C4 151.5(2) . . ?
C11 Al2 C5 119.28(17) . . ?
C4 Al2 C5 38.62(15) . . ?
C11 Al2 C3 123.71(18) . . ?
C4 Al2 C3 38.62(15) . . ?
C5 Al2 C3 62.42(15) . . ?
C11 Al2 Cl2 99.20(13) . . ?
C4 Al2 Cl2 103.66(13) . . ?
C5 Al2 Cl2 141.27(12) . . ?
C3 Al2 Cl2 93.73(13) . . ?
C11 Al2 C2 92.62(18) . . ?
C4 Al2 C2 61.62(17) . . ?
C5 Al2 C2 59.74(16) . . ?
C3 Al2 C2 35.46(17) . . ?
Cl2 Al2 C2 118.13(13) . . ?
C11 Al2 Cl1 100.53(13) . . ?
C4 Al2 Cl1 98.63(12) . . ?
C5 Al2 Cl1 92.64(12) . . ?
C3 Al2 Cl1 135.36(13) . . ?
Cl2 Al2 Cl1 83.88(6) . . ?
C2 Al2 Cl1 152.32(12) . . ?
C11 Al2 C1 90.42(17) . . ?
C4 Al2 C1 61.60(17) . . ?
C5 Al2 C1 35.63(15) . . ?
C3 Al2 C1 59.52(17) . . ?
Cl2 Al2 C1 151.98(12) . . ?
C2 Al2 C1 34.58(16) . . ?
Cl1 Al2 C1 120.33(12) . . ?
Al1 Cl1 Al2 95.86(5) . . ?
Al2 Cl2 Al1 96.12(5) . . ?
C34 C33 C37 107.8(5) . . ?
C34 C33 C38 126.3(5) . . ?
C37 C33 C38 125.9(6) . . ?
C34 C33 Al3 73.2(3) . . ?
C37 C33 Al3 66.3(3) . . ?
C38 C33 Al3 125.7(4) . . ?
C33 C34 C35 109.4(5) . . ?
C33 C34 C39 125.0(5) . . ?
C35 C34 C39 125.6(6) . . ?
C33 C34 Al3 72.8(3) . . ?
C35 C34 Al3 66.1(3) . . ?
C39 C34 Al3 126.4(4) . . ?
C34 C35 C36 107.9(6) . . ?
C34 C35 C40 126.3(7) . . ?
C36 C35 C40 125.7(6) . . ?
C34 C35 Al3 78.8(3) . . ?
C36 C35 Al3 67.2(4) . . ?
C40 C35 Al3 122.9(4) . . ?
C35 C36 C37 107.3(5) . . ?
C35 C36 C41 125.4(9) . . ?
C37 C36 C41 127.0(8) . . ?
C35 C36 Al3 75.1(3) . . ?
C37 C36 Al3 74.7(4) . . ?
C41 C36 Al3 121.0(4) . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C44 C43 C48 114.3(4) . . ?
C44 C43 Al3 123.5(3) . . ?
C48 C43 Al3 121.8(4) . . ?
F11 C44 C43 120.2(4) . . ?
F11 C44 C45 116.1(4) . . ?
C43 C44 C45 123.6(4) . . ?
F12 C45 C46 119.7(4) . . ?
F12 C45 C44 121.0(5) . . ?
C46 C45 C44 119.2(5) . . ?
F13 C46 C45 120.4(5) . . ?
F13 C46 C47 120.0(5) . . ?
C45 C46 C47 119.6(4) . . ?
F14 C47 C46 120.1(4) . . ?
F14 C47 C48 120.9(5) . . ?
C46 C47 C48 118.9(4) . . ?
F15 C48 C43 119.3(4) . . ?
F15 C48 C47 116.4(4) . . ?
C43 C48 C47 124.3(5) . . ?
C43 Al3 C36 150.3(2) . . ?
C43 Al3 C35 118.6(2) . . ?
C36 Al3 C35 37.7(3) . . ?
C43 Al3 C37 123.9(3) . . ?
C36 Al3 C37 38.5(3) . . ?
C35 Al3 C37 61.9(3) . . ?
C43 Al3 Cl3 100.21(15) . . ?
C36 Al3 Cl3 104.1(2) . . ?
C35 Al3 Cl3 140.87(18) . . ?
C37 Al3 Cl3 93.24(17) . . ?
C43 Al3 Cl3 99.91(13) . 3_667 ?
C36 Al3 Cl3 99.3(2) . 3_667 ?
C35 Al3 Cl3 93.21(15) . 3_667 ?
C37 Al3 Cl3 135.7(2) . 3_667 ?
Cl3 Al3 Cl3 84.44(6) . 3_667 ?
C43 Al3 C33 92.61(18) . . ?
C36 Al3 C33 61.0(2) . . ?
C35 Al3 C33 59.2(2) . . ?
C37 Al3 C33 35.36(19) . . ?
Cl3 Al3 C33 117.63(15) . . ?
Cl3 Al3 C33 152.36(16) 3_667 . ?
C43 Al3 C34 90.55(18) . . ?
C36 Al3 C34 60.1(2) . . ?
C35 Al3 C34 35.10(17) . . ?
C37 Al3 C34 58.65(19) . . ?
Cl3 Al3 C34 150.72(14) . . ?
Cl3 Al3 C34 120.67(14) 3_667 . ?
C33 Al3 C34 34.00(17) . . ?
Al3 Cl3 Al3 95.56(6) . 3_667 ?
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
C37 C33 1.398(7) . ?
C37 C36 1.428(10) . ?
C37 C42 1.524(9) . ?
C37 Al3 2.212(6) . ?
C41 C36 1.516(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C1 C2 1.404(6) . ?
C1 C5 1.408(6) . ?
C1 C6 1.502(6) . ?
C1 Al2 2.364(6) . ?
C2 C3 1.399(7) . ?
C2 C7 1.513(6) . ?
C2 Al2 2.358(6) . ?
C3 C4 1.434(5) . ?
C3 C8 1.508(6) . ?
C3 Al2 2.215(5) . ?
C4 C5 1.433(5) . ?
C4 C9 1.496(6) . ?
C4 Al2 2.111(4) . ?
C5 C10 1.508(5) . ?
C5 Al2 2.214(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.375(5) . ?
C11 C16 1.383(5) . ?
C11 Al2 1.986(4) . ?
C12 F6 1.356(4) . ?
C12 C13 1.380(6) . ?
C13 F7 1.347(4) . ?
C13 C14 1.371(6) . ?
C14 F8 1.349(4) . ?
C14 C15 1.374(6) . ?
C15 F9 1.347(4) . ?
C15 C16 1.367(5) . ?
C16 F10 1.354(4) . ?
C17 C21 1.415(6) . ?
C17 C18 1.422(6) . ?
C17 C22 1.514(5) . ?
C17 Al1 2.232(5) . ?
C18 C19 1.432(6) . ?
C18 C23 1.512(6) . ?
C18 Al1 2.114(4) . ?
C19 C20 1.399(6) . ?
C19 C24 1.511(6) . ?
C19 Al1 2.214(5) . ?
C20 C21 1.425(5) . ?
C20 C25 1.507(6) . ?
C20 Al1 2.361(5) . ?
C21 C26 1.498(6) . ?
C21 Al1 2.382(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.377(5) . ?
C27 C32 1.382(5) . ?
C27 Al1 1.985(4) . ?
C28 F1 1.357(4) . ?
C28 C29 1.373(5) . ?
C29 F2 1.347(4) . ?
C29 C30 1.370(6) . ?
C30 F3 1.349(5) . ?
C30 C31 1.362(6) . ?
C31 F4 1.351(4) . ?
C31 C32 1.381(6) . ?
C32 F5 1.356(4) . ?
Al1 Cl1 2.3385(16) . ?
Al1 Cl2 2.3501(17) . ?
Al2 Cl2 2.3390(16) . ?
Al2 Cl1 2.3601(16) . ?
C33 C34 1.385(7) . ?
C33 C38 1.513(7) . ?
C33 Al3 2.366(5) . ?
C34 C35 1.390(6) . ?
C34 C39 1.508(6) . ?
C34 Al3 2.371(5) . ?
C35 C36 1.398(9) . ?
C35 C40 1.519(9) . ?
C35 Al3 2.210(6) . ?
C36 Al3 2.107(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C43 C44 1.367(6) . ?
C43 C48 1.373(6) . ?
C43 Al3 1.989(4) . ?
C44 F11 1.357(5) . ?
C44 C45 1.390(6) . ?
C45 F12 1.339(6) . ?
C45 C46 1.362(7) . ?
C46 F13 1.341(5) . ?
C46 C47 1.363(7) . ?
C47 F14 1.355(5) . ?
C47 C48 1.379(6) . ?
C48 F15 1.356(5) . ?
Al3 Cl3 2.3380(18) . ?
Al3 Cl3 2.3567(16) 3_667 ?
Cl3 Al3 2.3567(16) 3_667 ?
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
C5 C1 C2 C3 -0.6(6) . . . . ?
C6 C1 C2 C3 179.7(5) . . . . ?
Al2 C1 C2 C3 -57.3(4) . . . . ?
C5 C1 C2 C7 -180.0(5) . . . . ?
C6 C1 C2 C7 0.3(9) . . . . ?
Al2 C1 C2 C7 123.3(5) . . . . ?
C5 C1 C2 Al2 56.7(4) . . . . ?
C6 C1 C2 Al2 -123.0(5) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C7 C2 C3 C4 -179.6(5) . . . . ?
Al2 C2 C3 C4 -60.2(3) . . . . ?
C1 C2 C3 C8 -174.5(5) . . . . ?
C7 C2 C3 C8 4.9(9) . . . . ?
Al2 C2 C3 C8 124.3(5) . . . . ?
C1 C2 C3 Al2 61.2(4) . . . . ?
C7 C2 C3 Al2 -119.4(5) . . . . ?
C2 C3 C4 C5 -1.0(5) . . . . ?
C8 C3 C4 C5 174.6(5) . . . . ?
Al2 C3 C4 C5 -68.4(3) . . . . ?
C2 C3 C4 C9 -173.7(5) . . . . ?
C8 C3 C4 C9 1.9(8) . . . . ?
Al2 C3 C4 C9 118.9(5) . . . . ?
C2 C3 C4 Al2 67.4(4) . . . . ?
C8 C3 C4 Al2 -117.0(5) . . . . ?
C2 C1 C5 C4 -0.1(6) . . . . ?
C6 C1 C5 C4 179.6(5) . . . . ?
Al2 C1 C5 C4 60.4(3) . . . . ?
C2 C1 C5 C10 178.4(4) . . . . ?
C6 C1 C5 C10 -1.9(8) . . . . ?
Al2 C1 C5 C10 -121.1(5) . . . . ?
C2 C1 C5 Al2 -60.5(4) . . . . ?
C6 C1 C5 Al2 119.2(5) . . . . ?
C3 C4 C5 C1 0.7(5) . . . . ?
C9 C4 C5 C1 173.3(5) . . . . ?
Al2 C4 C5 C1 -67.8(4) . . . . ?
C3 C4 C5 C10 -177.8(4) . . . . ?
C9 C4 C5 C10 -5.2(8) . . . . ?
Al2 C4 C5 C10 113.8(4) . . . . ?
C3 C4 C5 Al2 68.4(3) . . . . ?
C9 C4 C5 Al2 -119.0(5) . . . . ?
C16 C11 C12 F6 -179.4(4) . . . . ?
Al2 C11 C12 F6 -0.8(6) . . . . ?
C16 C11 C12 C13 0.0(7) . . . . ?
Al2 C11 C12 C13 178.6(4) . . . . ?
F6 C12 C13 F7 -0.9(7) . . . . ?
C11 C12 C13 F7 179.7(5) . . . . ?
F6 C12 C13 C14 179.2(4) . . . . ?
C11 C12 C13 C14 -0.2(8) . . . . ?
F7 C13 C14 F8 -0.2(7) . . . . ?
C12 C13 C14 F8 179.6(5) . . . . ?
F7 C13 C14 C15 -179.2(5) . . . . ?
C12 C13 C14 C15 0.6(8) . . . . ?
F8 C14 C15 F9 1.5(8) . . . . ?
C13 C14 C15 F9 -179.5(4) . . . . ?
F8 C14 C15 C16 -179.9(5) . . . . ?
C13 C14 C15 C16 -0.9(8) . . . . ?
F9 C15 C16 F10 -0.3(7) . . . . ?
C14 C15 C16 F10 -178.8(5) . . . . ?
F9 C15 C16 C11 179.3(4) . . . . ?
C14 C15 C16 C11 0.8(8) . . . . ?
C12 C11 C16 F10 179.3(4) . . . . ?
Al2 C11 C16 F10 0.7(6) . . . . ?
C12 C11 C16 C15 -0.3(7) . . . . ?
Al2 C11 C16 C15 -178.9(4) . . . . ?
C21 C17 C18 C19 -0.5(5) . . . . ?
C22 C17 C18 C19 175.5(4) . . . . ?
Al1 C17 C18 C19 -68.2(3) . . . . ?
C21 C17 C18 C23 -175.0(5) . . . . ?
C22 C17 C18 C23 1.0(8) . . . . ?
Al1 C17 C18 C23 117.3(5) . . . . ?
C21 C17 C18 Al1 67.7(4) . . . . ?
C22 C17 C18 Al1 -116.3(5) . . . . ?
C17 C18 C19 C20 1.1(5) . . . . ?
C23 C18 C19 C20 175.8(5) . . . . ?
Al1 C18 C19 C20 -67.8(3) . . . . ?
C17 C18 C19 C24 -175.3(5) . . . . ?
C23 C18 C19 C24 -0.7(8) . . . . ?
Al1 C18 C19 C24 115.8(5) . . . . ?
C17 C18 C19 Al1 68.9(3) . . . . ?
C23 C18 C19 Al1 -116.5(5) . . . . ?
C18 C19 C20 C21 -1.3(5) . . . . ?
C24 C19 C20 C21 175.0(5) . . . . ?
Al1 C19 C20 C21 -61.9(3) . . . . ?
C18 C19 C20 C25 -180.0(5) . . . . ?
C24 C19 C20 C25 -3.6(9) . . . . ?
Al1 C19 C20 C25 119.5(5) . . . . ?
C18 C19 C20 Al1 60.5(3) . . . . ?
C24 C19 C20 Al1 -123.2(5) . . . . ?
C18 C17 C21 C20 -0.3(6) . . . . ?
C22 C17 C21 C20 -176.3(4) . . . . ?
Al1 C17 C21 C20 59.9(3) . . . . ?
C18 C17 C21 C26 179.5(5) . . . . ?
C22 C17 C21 C26 3.5(8) . . . . ?
Al1 C17 C21 C26 -120.4(5) . . . . ?
C18 C17 C21 Al1 -60.1(3) . . . . ?
C22 C17 C21 Al1 123.9(5) . . . . ?
C19 C20 C21 C17 1.0(6) . . . . ?
C25 C20 C21 C17 179.7(5) . . . . ?
Al1 C20 C21 C17 -56.6(4) . . . . ?
C19 C20 C21 C26 -178.8(5) . . . . ?
C25 C20 C21 C26 -0.1(8) . . . . ?
Al1 C20 C21 C26 123.6(5) . . . . ?
C19 C20 C21 Al1 57.6(3) . . . . ?
C25 C20 C21 Al1 -123.7(5) . . . . ?
C32 C27 C28 F1 -179.7(4) . . . . ?
Al1 C27 C28 F1 2.7(6) . . . . ?
C32 C27 C28 C29 -0.2(7) . . . . ?
Al1 C27 C28 C29 -177.9(4) . . . . ?
F1 C28 C29 F2 -0.5(7) . . . . ?
C27 C28 C29 F2 -179.9(4) . . . . ?
F1 C28 C29 C30 179.8(4) . . . . ?
C27 C28 C29 C30 0.3(8) . . . . ?
F2 C29 C30 F3 -1.4(8) . . . . ?
C28 C29 C30 F3 178.3(5) . . . . ?
F2 C29 C30 C31 -179.9(4) . . . . ?
C28 C29 C30 C31 -0.2(8) . . . . ?
F3 C30 C31 F4 2.0(7) . . . . ?
C29 C30 C31 F4 -179.5(5) . . . . ?
F3 C30 C31 C32 -178.5(5) . . . . ?
C29 C30 C31 C32 0.0(8) . . . . ?
F4 C31 C32 F5 0.5(7) . . . . ?
C30 C31 C32 F5 -178.9(4) . . . . ?
F4 C31 C32 C27 179.5(5) . . . . ?
C30 C31 C32 C27 0.1(8) . . . . ?
C28 C27 C32 F5 179.0(4) . . . . ?
Al1 C27 C32 F5 -3.3(6) . . . . ?
C28 C27 C32 C31 0.1(7) . . . . ?
Al1 C27 C32 C31 177.8(4) . . . . ?
C28 C27 Al1 C18 -99.1(5) . . . . ?
C32 C27 Al1 C18 83.4(5) . . . . ?
C28 C27 Al1 C19 -56.0(5) . . . . ?
C32 C27 Al1 C19 126.6(4) . . . . ?
C28 C27 Al1 C17 -131.3(4) . . . . ?
C32 C27 Al1 C17 51.3(5) . . . . ?
C28 C27 Al1 Cl1 44.2(4) . . . . ?
C32 C27 Al1 Cl1 -133.3(4) . . . . ?
C28 C27 Al1 Cl2 129.7(4) . . . . ?
C32 C27 Al1 Cl2 -47.8(4) . . . . ?
C28 C27 Al1 C20 -74.3(4) . . . . ?
C32 C27 Al1 C20 108.2(4) . . . . ?
C28 C27 Al1 C21 -109.2(4) . . . . ?
C32 C27 Al1 C21 73.3(4) . . . . ?
C17 C18 Al1 C27 -48.3(5) . . . . ?
C19 C18 Al1 C27 64.8(4) . . . . ?
C23 C18 Al1 C27 -173.0(3) . . . . ?
C17 C18 Al1 C19 -113.1(4) . . . . ?
C23 C18 Al1 C19 122.2(5) . . . . ?
C19 C18 Al1 C17 113.1(4) . . . . ?
C23 C18 Al1 C17 -124.7(5) . . . . ?
C17 C18 Al1 Cl1 168.6(3) . . . . ?
C19 C18 Al1 Cl1 -78.3(3) . . . . ?
C23 C18 Al1 Cl1 43.9(4) . . . . ?
C17 C18 Al1 Cl2 82.5(3) . . . . ?
C19 C18 Al1 Cl2 -164.4(3) . . . . ?
C23 C18 Al1 Cl2 -42.2(4) . . . . ?
C17 C18 Al1 C20 -76.8(3) . . . . ?
C19 C18 Al1 C20 36.3(3) . . . . ?
C23 C18 Al1 C20 158.5(4) . . . . ?
C17 C18 Al1 C21 -36.7(3) . . . . ?
C19 C18 Al1 C21 76.4(3) . . . . ?
C23 C18 Al1 C21 -161.4(4) . . . . ?
C20 C19 Al1 C27 -32.8(3) . . . . ?
C18 C19 Al1 C27 -148.9(3) . . . . ?
C24 C19 Al1 C27 93.9(5) . . . . ?
C20 C19 Al1 C18 116.1(4) . . . . ?
C24 C19 Al1 C18 -117.2(5) . . . . ?
C20 C19 Al1 C17 76.3(3) . . . . ?
C18 C19 Al1 C17 -39.8(3) . . . . ?
C24 C19 Al1 C17 -157.0(5) . . . . ?
C20 C19 Al1 Cl1 -137.4(2) . . . . ?
C18 C19 Al1 Cl1 106.5(3) . . . . ?
C24 C19 Al1 Cl1 -10.7(4) . . . . ?
C20 C19 Al1 Cl2 139.0(2) . . . . ?
C18 C19 Al1 Cl2 22.8(4) . . . . ?
C24 C19 Al1 Cl2 -94.4(4) . . . . ?
C18 C19 Al1 C20 -116.1(4) . . . . ?
C24 C19 Al1 C20 126.7(5) . . . . ?
C20 C19 Al1 C21 35.6(2) . . . . ?
C18 C19 Al1 C21 -80.6(3) . . . . ?
C24 C19 Al1 C21 162.2(5) . . . . ?
C21 C17 Al1 C27 40.2(3) . . . . ?
C18 C17 Al1 C27 156.1(3) . . . . ?
C22 C17 Al1 C27 -85.7(4) . . . . ?
C21 C17 Al1 C18 -115.9(4) . . . . ?
C22 C17 Al1 C18 118.2(5) . . . . ?
C21 C17 Al1 C19 -75.5(3) . . . . ?
C18 C17 Al1 C19 40.3(3) . . . . ?
C22 C17 Al1 C19 158.6(4) . . . . ?
C21 C17 Al1 Cl1 -133.0(2) . . . . ?
C18 C17 Al1 Cl1 -17.1(4) . . . . ?
C22 C17 Al1 Cl1 101.1(4) . . . . ?
C21 C17 Al1 Cl2 141.8(2) . . . . ?
C18 C17 Al1 Cl2 -102.3(3) . . . . ?
C22 C17 Al1 Cl2 16.0(4) . . . . ?
C21 C17 Al1 C20 -35.0(2) . . . . ?
C18 C17 Al1 C20 80.9(3) . . . . ?
C22 C17 Al1 C20 -160.8(4) . . . . ?
C18 C17 Al1 C21 115.9(4) . . . . ?
C22 C17 Al1 C21 -125.9(5) . . . . ?
C19 C20 Al1 C27 153.4(3) . . . . ?
C21 C20 Al1 C27 -87.6(3) . . . . ?
C25 C20 Al1 C27 34.0(4) . . . . ?
C19 C20 Al1 C18 -39.6(2) . . . . ?
C21 C20 Al1 C18 79.4(3) . . . . ?
C25 C20 Al1 C18 -158.9(5) . . . . ?
C21 C20 Al1 C19 119.0(4) . . . . ?
C25 C20 Al1 C19 -119.4(5) . . . . ?
C19 C20 Al1 C17 -83.5(3) . . . . ?
C21 C20 Al1 C17 35.5(2) . . . . ?
C25 C20 Al1 C17 157.2(5) . . . . ?
C19 C20 Al1 Cl1 49.5(3) . . . . ?
C21 C20 Al1 Cl1 168.5(2) . . . . ?
C25 C20 Al1 Cl1 -69.8(4) . . . . ?
C19 C20 Al1 Cl2 -90.6(4) . . . . ?
C21 C20 Al1 Cl2 28.4(4) . . . . ?
C25 C20 Al1 Cl2 150.0(3) . . . . ?
C19 C20 Al1 C21 -119.0(4) . . . . ?
C25 C20 Al1 C21 121.6(5) . . . . ?
C17 C21 Al1 C27 -146.0(3) . . . . ?
C20 C21 Al1 C27 93.9(3) . . . . ?
C26 C21 Al1 C27 -26.9(4) . . . . ?
C17 C21 Al1 C18 39.4(2) . . . . ?
C20 C21 Al1 C18 -80.7(3) . . . . ?
C26 C21 Al1 C18 158.5(5) . . . . ?
C17 C21 Al1 C19 84.0(3) . . . . ?
C20 C21 Al1 C19 -36.0(2) . . . . ?
C26 C21 Al1 C19 -156.9(5) . . . . ?
C20 C21 Al1 C17 -120.0(4) . . . . ?
C26 C21 Al1 C17 119.1(5) . . . . ?
C17 C21 Al1 Cl1 98.7(3) . . . . ?
C20 C21 Al1 Cl1 -21.3(4) . . . . ?
C26 C21 Al1 Cl1 -142.2(3) . . . . ?
C17 C21 Al1 Cl2 -45.7(3) . . . . ?
C20 C21 Al1 Cl2 -165.7(2) . . . . ?
C26 C21 Al1 Cl2 73.5(4) . . . . ?
C17 C21 Al1 C20 120.0(4) . . . . ?
C26 C21 Al1 C20 -120.8(5) . . . . ?
C12 C11 Al2 C4 -83.3(5) . . . . ?
C16 C11 Al2 C4 95.2(5) . . . . ?
C12 C11 Al2 C5 -50.9(5) . . . . ?
C16 C11 Al2 C5 127.6(4) . . . . ?
C12 C11 Al2 C3 -125.6(4) . . . . ?
C16 C11 Al2 C3 52.9(4) . . . . ?
C12 C11 Al2 Cl2 133.6(4) . . . . ?
C16 C11 Al2 Cl2 -47.9(4) . . . . ?
C12 C11 Al2 C2 -107.3(4) . . . . ?
C16 C11 Al2 C2 71.1(4) . . . . ?
C12 C11 Al2 Cl1 48.2(4) . . . . ?
C16 C11 Al2 Cl1 -133.3(4) . . . . ?
C12 C11 Al2 C1 -72.8(4) . . . . ?
C16 C11 Al2 C1 105.7(4) . . . . ?
C5 C4 Al2 C11 48.5(4) . . . . ?
C3 C4 Al2 C11 -63.8(4) . . . . ?
C9 C4 Al2 C11 172.9(3) . . . . ?
C3 C4 Al2 C5 -112.2(4) . . . . ?
C9 C4 Al2 C5 124.4(4) . . . . ?
C5 C4 Al2 C3 112.2(4) . . . . ?
C9 C4 Al2 C3 -123.4(4) . . . . ?
C5 C4 Al2 Cl2 -169.1(2) . . . . ?
C3 C4 Al2 Cl2 78.6(3) . . . . ?
C9 C4 Al2 Cl2 -44.7(3) . . . . ?
C5 C4 Al2 C2 76.0(3) . . . . ?
C3 C4 Al2 C2 -36.2(3) . . . . ?
C9 C4 Al2 C2 -159.6(4) . . . . ?
C5 C4 Al2 Cl1 -83.4(2) . . . . ?
C3 C4 Al2 Cl1 164.4(3) . . . . ?
C9 C4 Al2 Cl1 41.0(3) . . . . ?
C5 C4 Al2 C1 36.5(2) . . . . ?
C3 C4 Al2 C1 -75.7(3) . . . . ?
C9 C4 Al2 C1 160.9(4) . . . . ?
C1 C5 Al2 C11 -39.8(3) . . . . ?
C4 C5 Al2 C11 -155.8(3) . . . . ?
C10 C5 Al2 C11 85.1(4) . . . . ?
C1 C5 Al2 C4 116.0(4) . . . . ?
C10 C5 Al2 C4 -119.0(5) . . . . ?
C1 C5 Al2 C3 75.3(3) . . . . ?
C4 C5 Al2 C3 -40.7(3) . . . . ?
C10 C5 Al2 C3 -159.7(4) . . . . ?
C1 C5 Al2 Cl2 133.0(2) . . . . ?
C4 C5 Al2 Cl2 17.0(3) . . . . ?
C10 C5 Al2 Cl2 -102.0(4) . . . . ?
C1 C5 Al2 C2 34.7(3) . . . . ?
C4 C5 Al2 C2 -81.3(3) . . . . ?
C10 C5 Al2 C2 159.7(4) . . . . ?
C1 C5 Al2 Cl1 -143.5(2) . . . . ?
C4 C5 Al2 Cl1 100.5(2) . . . . ?
C10 C5 Al2 Cl1 -18.5(4) . . . . ?
C4 C5 Al2 C1 -116.0(4) . . . . ?
C10 C5 Al2 C1 125.0(5) . . . . ?
C2 C3 Al2 C11 32.6(3) . . . . ?
C4 C3 Al2 C11 149.0(3) . . . . ?
C8 C3 Al2 C11 -93.6(5) . . . . ?
C2 C3 Al2 C4 -116.4(4) . . . . ?
C8 C3 Al2 C4 117.3(5) . . . . ?
C2 C3 Al2 C5 -75.7(3) . . . . ?
C4 C3 Al2 C5 40.7(3) . . . . ?
C8 C3 Al2 C5 158.0(5) . . . . ?
C2 C3 Al2 Cl2 136.3(2) . . . . ?
C4 C3 Al2 Cl2 -107.3(2) . . . . ?
C8 C3 Al2 Cl2 10.0(4) . . . . ?
C4 C3 Al2 C2 116.4(4) . . . . ?
C8 C3 Al2 C2 -126.3(5) . . . . ?
C2 C3 Al2 Cl1 -138.6(2) . . . . ?
C4 C3 Al2 Cl1 -22.2(3) . . . . ?
C8 C3 Al2 Cl1 95.1(4) . . . . ?
C2 C3 Al2 C1 -34.9(2) . . . . ?
C4 C3 Al2 C1 81.5(3) . . . . ?
C8 C3 Al2 C1 -161.1(5) . . . . ?
C3 C2 Al2 C11 -153.3(3) . . . . ?
C1 C2 Al2 C11 86.9(3) . . . . ?
C7 C2 Al2 C11 -34.7(5) . . . . ?
C3 C2 Al2 C4 39.5(2) . . . . ?
C1 C2 Al2 C4 -80.3(3) . . . . ?
C7 C2 Al2 C4 158.1(6) . . . . ?
C3 C2 Al2 C5 84.0(3) . . . . ?
C1 C2 Al2 C5 -35.8(2) . . . . ?
C7 C2 Al2 C5 -157.4(6) . . . . ?
C1 C2 Al2 C3 -119.7(4) . . . . ?
C7 C2 Al2 C3 118.6(6) . . . . ?
C3 C2 Al2 Cl2 -51.4(3) . . . . ?
C1 C2 Al2 Cl2 -171.2(2) . . . . ?
C7 C2 Al2 Cl2 67.2(5) . . . . ?
C3 C2 Al2 Cl1 87.9(4) . . . . ?
C1 C2 Al2 Cl1 -31.8(4) . . . . ?
C7 C2 Al2 Cl1 -153.5(4) . . . . ?
C3 C2 Al2 C1 119.7(4) . . . . ?
C7 C2 Al2 C1 -121.6(6) . . . . ?
C2 C1 Al2 C11 -94.0(3) . . . . ?
C5 C1 Al2 C11 146.0(3) . . . . ?
C6 C1 Al2 C11 27.7(4) . . . . ?
C2 C1 Al2 C4 80.3(3) . . . . ?
C5 C1 Al2 C4 -39.6(2) . . . . ?
C6 C1 Al2 C4 -158.0(5) . . . . ?
C2 C1 Al2 C5 120.0(4) . . . . ?
C6 C1 Al2 C5 -118.4(5) . . . . ?
C2 C1 Al2 C3 35.8(2) . . . . ?
C5 C1 Al2 C3 -84.2(3) . . . . ?
C6 C1 Al2 C3 157.4(5) . . . . ?
C2 C1 Al2 Cl2 16.7(4) . . . . ?
C5 C1 Al2 Cl2 -103.2(3) . . . . ?
C6 C1 Al2 Cl2 138.4(4) . . . . ?
C5 C1 Al2 C2 -120.0(4) . . . . ?
C6 C1 Al2 C2 121.7(5) . . . . ?
C2 C1 Al2 Cl1 163.5(2) . . . . ?
C5 C1 Al2 Cl1 43.6(3) . . . . ?
C6 C1 Al2 Cl1 -74.8(4) . . . . ?
C27 Al1 Cl1 Al2 98.41(13) . . . . ?
C18 Al1 Cl1 Al2 -98.27(14) . . . . ?
C19 Al1 Cl1 Al2 -135.91(12) . . . . ?
C17 Al1 Cl1 Al2 -87.6(2) . . . . ?
Cl2 Al1 Cl1 Al2 1.14(5) . . . . ?
C20 Al1 Cl1 Al2 -162.09(13) . . . . ?
C21 Al1 Cl1 Al2 -148.5(2) . . . . ?
C11 Al2 Cl1 Al1 97.11(13) . . . . ?
C4 Al2 Cl1 Al1 -104.08(13) . . . . ?
C5 Al2 Cl1 Al1 -142.45(11) . . . . ?
C3 Al2 Cl1 Al1 -90.26(19) . . . . ?
Cl2 Al2 Cl1 Al1 -1.14(5) . . . . ?
C2 Al2 Cl1 Al1 -145.9(3) . . . . ?
C1 Al2 Cl1 Al1 -166.14(13) . . . . ?
C11 Al2 Cl2 Al1 -98.58(13) . . . . ?
C4 Al2 Cl2 Al1 98.56(13) . . . . ?
C5 Al2 Cl2 Al1 87.7(2) . . . . ?
C3 Al2 Cl2 Al1 136.39(12) . . . . ?
C2 Al2 Cl2 Al1 163.42(13) . . . . ?
Cl1 Al2 Cl2 Al1 1.14(5) . . . . ?
C1 Al2 Cl2 Al1 152.7(2) . . . . ?
C27 Al1 Cl2 Al2 -101.18(13) . . . . ?
C18 Al1 Cl2 Al2 99.91(14) . . . . ?
C19 Al1 Cl2 Al2 85.7(2) . . . . ?
C17 Al1 Cl2 Al2 137.69(12) . . . . ?
Cl1 Al1 Cl2 Al2 -1.15(5) . . . . ?
C20 Al1 Cl2 Al2 143.9(3) . . . . ?
C21 Al1 Cl2 Al2 162.31(12) . . . . ?
C36 C37 C33 C34 1.0(7) . . . . ?
C42 C37 C33 C34 -176.7(7) . . . . ?
Al3 C37 C33 C34 61.8(4) . . . . ?
C36 C37 C33 C38 -178.8(6) . . . . ?
C42 C37 C33 C38 3.6(10) . . . . ?
Al3 C37 C33 C38 -118.0(6) . . . . ?
C36 C37 C33 Al3 -60.8(4) . . . . ?
C42 C37 C33 Al3 121.6(8) . . . . ?
C37 C33 C34 C35 -1.4(7) . . . . ?
C38 C33 C34 C35 178.3(5) . . . . ?
Al3 C33 C34 C35 56.0(4) . . . . ?
C37 C33 C34 C39 179.8(6) . . . . ?
C38 C33 C34 C39 -0.5(10) . . . . ?
Al3 C33 C34 C39 -122.8(6) . . . . ?
C37 C33 C34 Al3 -57.4(4) . . . . ?
C38 C33 C34 Al3 122.3(6) . . . . ?
C33 C34 C35 C36 1.3(7) . . . . ?
C39 C34 C35 C36 -179.9(6) . . . . ?
Al3 C34 C35 C36 61.4(4) . . . . ?
C33 C34 C35 C40 177.2(6) . . . . ?
C39 C34 C35 C40 -4.0(10) . . . . ?
Al3 C34 C35 C40 -122.8(7) . . . . ?
C33 C34 C35 Al3 -60.0(4) . . . . ?
C39 C34 C35 Al3 118.8(6) . . . . ?
C34 C35 C36 C37 -0.7(7) . . . . ?
C40 C35 C36 C37 -176.6(6) . . . . ?
Al3 C35 C36 C37 68.4(5) . . . . ?
C34 C35 C36 C41 173.3(5) . . . . ?
C40 C35 C36 C41 -2.6(10) . . . . ?
Al3 C35 C36 C41 -117.7(6) . . . . ?
C34 C35 C36 Al3 -69.1(4) . . . . ?
C40 C35 C36 Al3 115.0(6) . . . . ?
C33 C37 C36 C35 -0.2(7) . . . . ?
C42 C37 C36 C35 177.4(7) . . . . ?
Al3 C37 C36 C35 -68.7(4) . . . . ?
C33 C37 C36 C41 -174.0(6) . . . . ?
C42 C37 C36 C41 3.6(11) . . . . ?
Al3 C37 C36 C41 117.5(7) . . . . ?
C33 C37 C36 Al3 68.5(4) . . . . ?
C42 C37 C36 Al3 -113.9(7) . . . . ?
C48 C43 C44 F11 178.7(4) . . . . ?
Al3 C43 C44 F11 6.0(7) . . . . ?
C48 C43 C44 C45 -0.3(8) . . . . ?
Al3 C43 C44 C45 -173.0(4) . . . . ?
F11 C44 C45 F12 0.5(8) . . . . ?
C43 C44 C45 F12 179.5(5) . . . . ?
F11 C44 C45 C46 -178.3(5) . . . . ?
C43 C44 C45 C46 0.8(9) . . . . ?
F12 C45 C46 F13 1.6(9) . . . . ?
C44 C45 C46 F13 -179.6(5) . . . . ?
F12 C45 C46 C47 -179.1(6) . . . . ?
C44 C45 C46 C47 -0.3(9) . . . . ?
F13 C46 C47 F14 -2.2(8) . . . . ?
C45 C46 C47 F14 178.5(5) . . . . ?
F13 C46 C47 C48 178.8(5) . . . . ?
C45 C46 C47 C48 -0.5(9) . . . . ?
C44 C43 C48 F15 -179.4(4) . . . . ?
Al3 C43 C48 F15 -6.6(6) . . . . ?
C44 C43 C48 C47 -0.6(7) . . . . ?
Al3 C43 C48 C47 172.2(4) . . . . ?
F14 C47 C48 F15 0.9(7) . . . . ?
C46 C47 C48 F15 179.9(5) . . . . ?
F14 C47 C48 C43 -177.9(5) . . . . ?
C46 C47 C48 C43 1.0(8) . . . . ?
C44 C43 Al3 C36 94.0(7) . . . . ?
C48 C43 Al3 C36 -78.2(7) . . . . ?
C44 C43 Al3 C35 124.3(4) . . . . ?
C48 C43 Al3 C35 -47.9(4) . . . . ?
C44 C43 Al3 C37 50.5(5) . . . . ?
C48 C43 Al3 C37 -121.6(4) . . . . ?
C44 C43 Al3 Cl3 -50.4(4) . . . . ?
C48 C43 Al3 Cl3 137.4(4) . . . . ?
C44 C43 Al3 Cl3 -136.5(4) . . . 3_667 ?
C48 C43 Al3 Cl3 51.3(4) . . . 3_667 ?
C44 C43 Al3 C33 68.3(4) . . . . ?
C48 C43 Al3 C33 -103.9(4) . . . . ?
C44 C43 Al3 C34 102.2(4) . . . . ?
C48 C43 Al3 C34 -70.0(4) . . . . ?
C35 C36 Al3 C43 46.4(8) . . . . ?
C37 C36 Al3 C43 -66.6(8) . . . . ?
C41 C36 Al3 C43 169.1(7) . . . . ?
C37 C36 Al3 C35 -113.0(5) . . . . ?
C41 C36 Al3 C35 122.6(10) . . . . ?
C35 C36 Al3 C37 113.0(5) . . . . ?
C41 C36 Al3 C37 -124.3(10) . . . . ?
C35 C36 Al3 Cl3 -169.7(3) . . . . ?
C37 C36 Al3 Cl3 77.2(4) . . . . ?
C41 C36 Al3 Cl3 -47.1(9) . . . . ?
C35 C36 Al3 Cl3 -83.2(3) . . . 3_667 ?
C37 C36 Al3 Cl3 163.8(3) . . . 3_667 ?
C41 C36 Al3 Cl3 39.4(8) . . . 3_667 ?
C35 C36 Al3 C33 76.2(3) . . . . ?
C37 C36 Al3 C33 -36.8(3) . . . . ?
C41 C36 Al3 C33 -161.2(9) . . . . ?
C35 C36 Al3 C34 37.0(3) . . . . ?
C37 C36 Al3 C34 -76.1(3) . . . . ?
C41 C36 Al3 C34 159.6(9) . . . . ?
C34 C35 Al3 C43 -40.9(4) . . . . ?
C36 C35 Al3 C43 -155.9(4) . . . . ?
C40 C35 Al3 C43 85.3(6) . . . . ?
C34 C35 Al3 C36 115.0(5) . . . . ?
C40 C35 Al3 C36 -118.8(7) . . . . ?
C34 C35 Al3 C37 74.5(4) . . . . ?
C36 C35 Al3 C37 -40.5(4) . . . . ?
C40 C35 Al3 C37 -159.3(7) . . . . ?
C34 C35 Al3 Cl3 130.9(3) . . . . ?
C36 C35 Al3 Cl3 15.9(5) . . . . ?
C40 C35 Al3 Cl3 -102.9(6) . . . . ?
C34 C35 Al3 Cl3 -144.0(3) . . . 3_667 ?
C36 C35 Al3 Cl3 101.0(4) . . . 3_667 ?
C40 C35 Al3 Cl3 -17.8(6) . . . 3_667 ?
C34 C35 Al3 C33 33.8(3) . . . . ?
C36 C35 Al3 C33 -81.2(4) . . . . ?
C40 C35 Al3 C33 160.0(7) . . . . ?
C36 C35 Al3 C34 -115.0(5) . . . . ?
C40 C35 Al3 C34 126.2(8) . . . . ?
C33 C37 Al3 C43 31.7(5) . . . . ?
C36 C37 Al3 C43 146.8(4) . . . . ?
C42 C37 Al3 C43 -93.0(8) . . . . ?
C33 C37 Al3 C36 -115.1(6) . . . . ?
C42 C37 Al3 C36 120.2(10) . . . . ?
C33 C37 Al3 C35 -75.5(4) . . . . ?
C36 C37 Al3 C35 39.6(4) . . . . ?
C42 C37 Al3 C35 159.8(9) . . . . ?
C33 C37 Al3 Cl3 136.3(4) . . . . ?
C36 C37 Al3 Cl3 -108.6(4) . . . . ?
C42 C37 Al3 Cl3 11.5(8) . . . . ?
C33 C37 Al3 Cl3 -138.4(3) . . . 3_667 ?
C36 C37 Al3 Cl3 -23.3(5) . . . 3_667 ?
C42 C37 Al3 Cl3 96.9(8) . . . 3_667 ?
C36 C37 Al3 C33 115.1(6) . . . . ?
C42 C37 Al3 C33 -124.7(10) . . . . ?
C33 C37 Al3 C34 -35.0(3) . . . . ?
C36 C37 Al3 C34 80.1(4) . . . . ?
C42 C37 Al3 C34 -159.8(9) . . . . ?
C34 C33 Al3 C43 87.1(3) . . . . ?
C37 C33 Al3 C43 -154.1(5) . . . . ?
C38 C33 Al3 C43 -35.8(5) . . . . ?
C34 C33 Al3 C36 -78.6(4) . . . . ?
C37 C33 Al3 C36 40.2(4) . . . . ?
C38 C33 Al3 C36 158.4(7) . . . . ?
C34 C33 Al3 C35 -34.9(3) . . . . ?
C37 C33 Al3 C35 83.9(4) . . . . ?
C38 C33 Al3 C35 -157.9(6) . . . . ?
C34 C33 Al3 C37 -118.8(5) . . . . ?
C38 C33 Al3 C37 118.3(8) . . . . ?
C34 C33 Al3 Cl3 -169.9(3) . . . . ?
C37 C33 Al3 Cl3 -51.2(5) . . . . ?
C38 C33 Al3 Cl3 67.1(5) . . . . ?
C34 C33 Al3 Cl3 -30.2(5) . . . 3_667 ?
C37 C33 Al3 Cl3 88.6(5) . . . 3_667 ?
C38 C33 Al3 Cl3 -153.1(4) . . . 3_667 ?
C37 C33 Al3 C34 118.8(5) . . . . ?
C38 C33 Al3 C34 -122.9(6) . . . . ?
C33 C34 Al3 C43 -93.8(3) . . . . ?
C35 C34 Al3 C43 144.9(4) . . . . ?
C39 C34 Al3 C43 27.3(5) . . . . ?
C33 C34 Al3 C36 81.5(4) . . . . ?
C35 C34 Al3 C36 -39.7(4) . . . . ?
C39 C34 Al3 C36 -157.4(6) . . . . ?
C33 C34 Al3 C35 121.2(5) . . . . ?
C39 C34 Al3 C35 -117.6(7) . . . . ?
C33 C34 Al3 C37 36.4(4) . . . . ?
C35 C34 Al3 C37 -84.8(4) . . . . ?
C39 C34 Al3 C37 157.6(6) . . . . ?
C33 C34 Al3 Cl3 18.5(5) . . . . ?
C35 C34 Al3 Cl3 -102.8(4) . . . . ?
C39 C34 Al3 Cl3 139.6(4) . . . . ?
C33 C34 Al3 Cl3 164.3(3) . . . 3_667 ?
C35 C34 Al3 Cl3 43.1(4) . . . 3_667 ?
C39 C34 Al3 Cl3 -74.6(5) . . . 3_667 ?
C35 C34 Al3 C33 -121.2(5) . . . . ?
C39 C34 Al3 C33 121.1(6) . . . . ?
C43 Al3 Cl3 Al3 -99.10(13) . . . 3_667 ?
C36 Al3 Cl3 Al3 98.2(2) . . . 3_667 ?
C35 Al3 Cl3 Al3 88.2(2) . . . 3_667 ?
C37 Al3 Cl3 Al3 135.6(2) . . . 3_667 ?
Cl3 Al3 Cl3 Al3 0.0 3_667 . . 3_667 ?
C33 Al3 Cl3 Al3 162.48(16) . . . 3_667 ?
C34 Al3 Cl3 Al3 151.0(3) . . . 3_667 ?
