#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:34:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179067 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302990.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_4302990
loop_
_publ_author_name
'Zdenek Moravec'
'Radek Sluka'
'Marek Necas'
'Vojtech Jancik'
'Jiri Pinkas'
_publ_section_title
;
A Structurally Diverse Series of Aluminum Chloride Alkoxides
[ClxAl(μ-OR)y]n (R =nBu,cHex, Ph, 2,4-tBu2C6H3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8106
_journal_page_last               8114
_journal_paper_doi               10.1021/ic802251g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C12 H27 Al3 Cl6 O3'
_chemical_formula_sum            'C12 H27 Al3 Cl6 O3'
_chemical_formula_weight         512.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.23(2)
_cell_angle_beta                 98.90(3)
_cell_angle_gamma                98.48(3)
_cell_formula_units_Z            4
_cell_length_a                   8.345(2)
_cell_length_b                   16.094(3)
_cell_length_c                   18.646(4)
_cell_measurement_reflns_used    81494
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      3.04
_cell_volume                     2385.6(10)
_computing_cell_refinement       'Xcalibur (Oxford Diffraction Ltd, 2006)'
_computing_data_collection       'Xcalibur (Oxford Diffraction Ltd, 2006)'
_computing_data_reduction        'Xcalibur (Oxford Diffraction Ltd, 2006)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXTL (Bruker, 1998)'
_computing_structure_solution    'SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15550
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.840
_exptl_absorpt_correction_T_max  0.8500
_exptl_absorpt_correction_T_min  0.7300
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Xcalibur, Oxford Diffraction'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         8149
_refine_ls_number_restraints     95
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0553P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                6556
_reflns_number_total             8149
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802251g_si_001_5.cif
_cod_data_source_block           Compound5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4302990
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.45360(8) 0.55566(5) 0.32082(4) 0.03490(18) Uani 1 1 d . . .
Cl2 Cl 0.50461(8) 0.37753(4) 0.18743(4) 0.02813(16) Uani 1 1 d . . .
Cl3 Cl 1.10746(8) 0.39717(4) 0.39845(3) 0.02622(16) Uani 1 1 d . . .
Cl4 Cl 0.78882(8) 0.25788(4) 0.26482(4) 0.02654(16) Uani 1 1 d . . .
Cl5 Cl 1.08202(7) 0.63034(4) 0.35677(3) 0.02423(15) Uani 1 1 d . . .
Cl6 Cl 1.07404(8) 0.59608(4) 0.16251(4) 0.03020(17) Uani 1 1 d . . .
Cl7 Cl -0.09152(8) 0.08633(5) 0.11566(4) 0.03360(18) Uani 1 1 d . . .
Cl8 Cl 0.22118(8) 0.20456(4) 0.26380(4) 0.02999(17) Uani 1 1 d . . .
Cl9 Cl 0.54810(8) -0.08750(5) 0.17214(4) 0.03335(18) Uani 1 1 d . . .
Cl10 Cl 0.49775(8) 0.06880(4) 0.32406(4) 0.02859(16) Uani 1 1 d . . .
Cl11 Cl -0.07835(8) -0.15963(4) 0.12743(4) 0.02884(16) Uani 1 1 d . . .
Cl12 Cl -0.09177(8) -0.15827(4) 0.31647(4) 0.02873(16) Uani 1 1 d . . .
Al1 Al 0.61724(9) 0.48619(5) 0.27159(4) 0.01988(18) Uani 1 1 d . . .
Al2 Al 0.90720(9) 0.38541(5) 0.31164(4) 0.01757(17) Uani 1 1 d . . .
Al3 Al 0.97437(9) 0.55580(5) 0.24972(4) 0.01785(17) Uani 1 1 d . . .
Al4 Al 0.10074(9) 0.08252(5) 0.20139(4) 0.01987(18) Uani 1 1 d . . .
Al5 Al 0.38417(9) -0.02661(5) 0.22907(4) 0.02021(18) Uani 1 1 d . . .
Al6 Al 0.02141(9) -0.10153(5) 0.24001(4) 0.01885(17) Uani 1 1 d . . .
O1 O 0.76385(19) 0.45440(10) 0.33835(8) 0.0185(4) Uani 1 1 d D . .
O2 O 0.97502(18) 0.44271(10) 0.24440(8) 0.0169(4) Uani 1 1 d . . .
O3 O 0.75718(19) 0.55759(10) 0.23625(9) 0.0200(4) Uani 1 1 d . . .
O5 O 0.23841(19) -0.10586(10) 0.25363(9) 0.0189(4) Uani 1 1 d . . .
O6 O 0.02697(18) 0.01323(10) 0.25955(8) 0.0174(4) Uani 1 1 d . . .
C1 C 0.7706(3) 0.48497(16) 0.42069(13) 0.0241(6) Uani 1 1 d D . .
H1A H 0.7010 0.5294 0.4290 0.029 Uiso 1 1 calc R . .
H1B H 0.8855 0.5113 0.4457 0.029 Uiso 1 1 calc R . .
C2 C 0.7101(3) 0.41020(18) 0.45348(15) 0.0323(7) Uani 1 1 d D . .
H2A H 0.7778 0.3653 0.4428 0.039 Uiso 1 1 calc R . .
H2B H 0.7272 0.4303 0.5082 0.039 Uiso 1 1 calc R . .
C3 C 0.5332(4) 0.3707(2) 0.42485(17) 0.0411(8) Uani 1 1 d D . .
H3A H 0.5160 0.3481 0.3704 0.049 Uiso 1 1 calc R . .
H3B H 0.4648 0.4156 0.4340 0.049 Uiso 1 1 calc R . .
C4 C 0.4769(4) 0.29721(19) 0.46218(17) 0.0415(8) Uani 1 1 d D . .
H4A H 0.3601 0.2731 0.4420 0.062 Uiso 1 1 calc R . .
H4B H 0.4919 0.3196 0.5160 0.062 Uiso 1 1 calc R . .
H4C H 0.5428 0.2521 0.4523 0.062 Uiso 1 1 calc R . .
C5 C 1.0661(3) 0.39502(16) 0.19137(13) 0.0201(5) Uani 1 1 d . . .
H5A H 1.1088 0.3489 0.2124 0.024 Uiso 1 1 calc R . .
H5B H 1.1611 0.4351 0.1841 0.024 Uiso 1 1 calc R . .
C6 C 0.9520(3) 0.35616(18) 0.11762(14) 0.0291(6) Uani 1 1 d . . .
H6A H 0.9042 0.4021 0.0984 0.035 Uiso 1 1 calc R . .
H6B H 0.8603 0.3140 0.1249 0.035 Uiso 1 1 calc R . .
C7 C 1.0426(4) 0.31105(19) 0.06019(15) 0.0358(7) Uani 1 1 d . . .
H7A H 1.1112 0.2750 0.0839 0.043 Uiso 1 1 calc R . .
H7B H 0.9600 0.2723 0.0188 0.043 Uiso 1 1 calc R . .
C8 C 1.1516(3) 0.3729(2) 0.02859(15) 0.0366(7) Uani 1 1 d . . .
H8A H 1.2068 0.3402 -0.0071 0.055 Uiso 1 1 calc R . .
H8B H 1.2347 0.4111 0.0691 0.055 Uiso 1 1 calc R . .
H8C H 1.0840 0.4074 0.0033 0.055 Uiso 1 1 calc R . .
C9 C 0.6958(3) 0.62776(16) 0.20495(14) 0.0242(6) Uani 1 1 d . . .
H9A H 0.7900 0.6672 0.1962 0.029 Uiso 1 1 calc R . .
H9B H 0.6413 0.6614 0.2411 0.029 Uiso 1 1 calc R . .
C10 C 0.5745(3) 0.59091(16) 0.13237(13) 0.0230(6) Uani 1 1 d . . .
H10A H 0.6313 0.5609 0.0951 0.028 Uiso 1 1 calc R . .
H10B H 0.4846 0.5482 0.1404 0.028 Uiso 1 1 calc R . .
C11 C 0.5019(3) 0.66125(17) 0.10294(14) 0.0257(6) Uani 1 1 d . . .
H11A H 0.5921 0.7039 0.0951 0.031 Uiso 1 1 calc R . .
H11B H 0.4458 0.6913 0.1405 0.031 Uiso 1 1 calc R . .
C12 C 0.3796(3) 0.62624(19) 0.03039(15) 0.0371(7) Uani 1 1 d . . .
H12A H 0.3358 0.6738 0.0134 0.056 Uiso 1 1 calc R . .
H12B H 0.2889 0.5848 0.0381 0.056 Uiso 1 1 calc R . .
H12C H 0.4351 0.5974 -0.0073 0.056 Uiso 1 1 calc R . .
O4 O 0.24355(19) 0.01622(11) 0.16795(9) 0.0205(4) Uani 1 1 d D A .
C13 C 0.2358(3) -0.00697(17) 0.08486(13) 0.0279(6) Uani 1 1 d DU . .
H13A H 0.1210 -0.0329 0.0596 0.033 Uiso 0.668(5) 1 calc PR A 1
H13B H 0.3063 -0.0503 0.0732 0.033 Uiso 0.668(5) 1 calc PR A 1
H13C H 0.1305 0.0032 0.0585 0.033 Uiso 0.332(5) 1 d PR A 2
H13D H 0.2412 -0.0687 0.0689 0.033 Uiso 0.332(5) 1 d PR A 2
C14A C 0.2940(6) 0.0727(3) 0.0556(2) 0.0274(10) Uani 0.668(5) 1 d PDU A 1
H14A H 0.2761 0.0568 0.0005 0.033 Uiso 0.668(5) 1 calc PR A 1
H14B H 0.2273 0.1171 0.0697 0.033 Uiso 0.668(5) 1 calc PR A 1
C15A C 0.4739(5) 0.1098(3) 0.0860(2) 0.0375(12) Uani 0.668(5) 1 d PDU A 1
H15A H 0.5390 0.0632 0.0786 0.045 Uiso 0.668(5) 1 calc PR A 1
H15B H 0.4890 0.1337 0.1402 0.045 Uiso 0.668(5) 1 calc PR A 1
C16A C 0.5389(8) 0.1809(5) 0.0483(6) 0.0380(18) Uani 0.668(5) 1 d PDU A 1
H16A H 0.6564 0.2023 0.0689 0.057 Uiso 0.668(5) 1 calc PR A 1
H16B H 0.4779 0.2283 0.0574 0.057 Uiso 0.668(5) 1 calc PR A 1
H16C H 0.5239 0.1575 -0.0054 0.057 Uiso 0.668(5) 1 calc PR A 1
C14B C 0.3795(11) 0.0480(5) 0.0656(5) 0.0272(17) Uani 0.332(5) 1 d PDU A 2
H14C H 0.4823 0.0483 0.1004 0.033 Uiso 0.332(5) 1 calc PR A 2
H14D H 0.3933 0.0234 0.0145 0.033 Uiso 0.332(5) 1 calc PR A 2
C15B C 0.3496(11) 0.1388(5) 0.0709(5) 0.0336(19) Uani 0.332(5) 1 d PDU A 2
H15C H 0.3537 0.1663 0.1237 0.040 Uiso 0.332(5) 1 calc PR A 2
H15D H 0.2382 0.1375 0.0428 0.040 Uiso 0.332(5) 1 calc PR A 2
C16B C 0.4784(16) 0.1922(10) 0.0398(11) 0.040(4) Uani 0.332(5) 1 d PDU A 2
H16D H 0.4541 0.2504 0.0429 0.060 Uiso 0.332(5) 1 calc PR A 2
H16E H 0.4750 0.1648 -0.0123 0.060 Uiso 0.332(5) 1 calc PR A 2
H16F H 0.5884 0.1955 0.0690 0.060 Uiso 0.332(5) 1 calc PR A 2
C17 C 0.2863(3) -0.18828(16) 0.26621(15) 0.0261(6) Uani 1 1 d . . .
H17A H 0.3141 -0.2201 0.2201 0.031 Uiso 1 1 calc R . .
H17B H 0.1920 -0.2246 0.2782 0.031 Uiso 1 1 calc R . .
C18 C 0.4327(3) -0.17165(18) 0.32917(15) 0.0313(7) Uani 1 1 d . . .
H18A H 0.5245 -0.1333 0.3174 0.038 Uiso 1 1 calc R . .
H18B H 0.4690 -0.2270 0.3318 0.038 Uiso 1 1 calc R . .
C19 C 0.4016(3) -0.13134(19) 0.40483(15) 0.0341(7) Uani 1 1 d . . .
H19A H 0.3228 -0.1731 0.4208 0.041 Uiso 1 1 calc R . .
H19B H 0.3508 -0.0801 0.4012 0.041 Uiso 1 1 calc R . .
C20 C 0.5601(4) -0.1046(2) 0.46298(18) 0.0499(9) Uani 1 1 d . . .
H20A H 0.5352 -0.0787 0.5111 0.075 Uiso 1 1 calc R . .
H20B H 0.6377 -0.0626 0.4478 0.075 Uiso 1 1 calc R . .
H20C H 0.6094 -0.1554 0.4675 0.075 Uiso 1 1 calc R . .
C21 C -0.0538(3) 0.05411(16) 0.32032(13) 0.0210(6) Uani 1 1 d . . .
H21A H -0.1581 0.0160 0.3206 0.025 Uiso 1 1 calc R . .
H21B H -0.0802 0.1096 0.3112 0.025 Uiso 1 1 calc R . .
C22 C 0.0603(3) 0.06947(17) 0.39492(13) 0.0246(6) Uani 1 1 d . . .
H22A H 0.1601 0.1117 0.3959 0.030 Uiso 1 1 calc R . .
H22B H 0.0955 0.0148 0.4013 0.030 Uiso 1 1 calc R . .
C23 C -0.0229(3) 0.10320(17) 0.45962(14) 0.0304(7) Uani 1 1 d . . .
H23A H -0.1269 0.0628 0.4561 0.037 Uiso 1 1 calc R . .
H23B H 0.0501 0.1038 0.5070 0.037 Uiso 1 1 calc R . .
C24 C -0.0611(4) 0.19246(19) 0.46179(17) 0.0447(8) Uani 1 1 d . . .
H24A H -0.1148 0.2094 0.5042 0.067 Uiso 1 1 calc R . .
H24B H -0.1350 0.1924 0.4155 0.067 Uiso 1 1 calc R . .
H24C H 0.0416 0.2334 0.4672 0.067 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O3 Al1 O1 99.58(8) . . ?
O3 Al1 Cl2 110.07(7) . . ?
O1 Al1 Cl2 108.75(7) . . ?
O3 Al1 Cl1 109.18(7) . . ?
O1 Al1 Cl1 113.23(7) . . ?
Cl2 Al1 Cl1 114.94(5) . . ?
O2 Al2 O1 95.30(8) . . ?
O2 Al2 Cl4 113.56(6) . . ?
O1 Al2 Cl4 112.17(7) . . ?
O2 Al2 Cl3 108.70(6) . . ?
O1 Al2 Cl3 111.99(6) . . ?
Cl4 Al2 Cl3 113.71(5) . . ?
O3 Al3 O2 101.39(8) . . ?
O3 Al3 Cl5 107.50(7) . . ?
O2 Al3 Cl5 111.54(7) . . ?
O3 Al3 Cl6 110.02(7) . . ?
O2 Al3 Cl6 110.69(6) . . ?
Cl5 Al3 Cl6 114.81(5) . . ?
O6 Al4 O4 95.07(8) . . ?
O6 Al4 Cl8 112.06(6) . . ?
O4 Al4 Cl8 112.39(7) . . ?
O6 Al4 Cl7 110.27(7) . . ?
O4 Al4 Cl7 112.03(7) . . ?
Cl8 Al4 Cl7 113.62(5) . . ?
O5 Al5 O4 99.62(8) . . ?
O5 Al5 Cl10 109.75(7) . . ?
O4 Al5 Cl10 110.22(7) . . ?
O5 Al5 Cl9 109.95(7) . . ?
O4 Al5 Cl9 111.73(7) . . ?
Cl10 Al5 Cl9 114.55(5) . . ?
O5 Al6 O6 101.27(8) . . ?
O5 Al6 Cl12 110.81(7) . . ?
O6 Al6 Cl12 110.88(6) . . ?
O5 Al6 Cl11 106.77(7) . . ?
O6 Al6 Cl11 111.85(7) . . ?
Cl12 Al6 Cl11 114.40(5) . . ?
C1 O1 Al1 120.32(14) . . ?
C1 O1 Al2 116.59(13) . . ?
Al1 O1 Al2 123.09(9) . . ?
C5 O2 Al3 119.92(14) . . ?
C5 O2 Al2 115.04(14) . . ?
Al3 O2 Al2 123.90(9) . . ?
C9 O3 Al3 118.77(15) . . ?
C9 O3 Al1 119.10(14) . . ?
Al3 O3 Al1 121.54(9) . . ?
C17 O5 Al6 117.04(14) . . ?
C17 O5 Al5 119.92(14) . . ?
Al6 O5 Al5 121.09(9) . . ?
C21 O6 Al6 119.99(14) . . ?
C21 O6 Al4 115.95(14) . . ?
Al6 O6 Al4 123.51(9) . . ?
O1 C1 C2 110.1(2) . . ?
C3 C2 C1 114.2(2) . . ?
C2 C3 C4 111.9(2) . . ?
O2 C5 C6 109.87(18) . . ?
C5 C6 C7 111.7(2) . . ?
C8 C7 C6 113.5(2) . . ?
O3 C9 C10 110.6(2) . . ?
C11 C10 C9 111.0(2) . . ?
C10 C11 C12 112.2(2) . . ?
C13 O4 Al5 119.77(14) . . ?
C13 O4 Al4 117.26(14) . . ?
Al5 O4 Al4 122.89(9) . . ?
O4 C13 C14B 109.1(4) . . ?
O4 C13 C14A 111.1(2) . . ?
C15A C14A C13 112.0(4) . . ?
C14A C15A C16A 112.1(4) . . ?
C15B C14B C13 110.1(7) . . ?
C14B C15B C16B 111.4(8) . . ?
O5 C17 C18 111.0(2) . . ?
C17 C18 C19 115.0(2) . . ?
C18 C19 C20 111.8(2) . . ?
O6 C21 C22 109.99(18) . . ?
C21 C22 C23 112.0(2) . . ?
C24 C23 C22 114.1(2) . . ?
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
Cl1 Al1 2.0966(11) . ?
Cl2 Al1 2.0962(12) . ?
Cl3 Al2 2.0974(12) . ?
Cl4 Al2 2.0948(12) . ?
Cl5 Al3 2.1036(12) . ?
Cl6 Al3 2.1040(11) . ?
Cl7 Al4 2.0992(12) . ?
Cl8 Al4 2.0948(12) . ?
Cl9 Al5 2.0972(11) . ?
Cl10 Al5 2.0941(12) . ?
Cl11 Al6 2.1069(12) . ?
Cl12 Al6 2.1044(11) . ?
Al1 O3 1.8044(18) . ?
Al1 O1 1.8081(17) . ?
Al2 O2 1.8052(17) . ?
Al2 O1 1.8090(17) . ?
Al3 O3 1.7962(17) . ?
Al3 O2 1.8042(17) . ?
Al4 O6 1.8093(18) . ?
Al4 O4 1.8148(17) . ?
Al5 O5 1.8051(18) . ?
Al5 O4 1.8114(18) . ?
Al6 O5 1.8029(17) . ?
Al6 O6 1.8036(17) . ?
O1 C1 1.508(3) . ?
O2 C5 1.501(3) . ?
O3 C9 1.488(3) . ?
O5 C17 1.491(3) . ?
O6 C21 1.499(3) . ?
C1 C2 1.510(4) . ?
C2 C3 1.488(4) . ?
C3 C4 1.538(4) . ?
C5 C6 1.507(3) . ?
C6 C7 1.534(3) . ?
C7 C8 1.515(4) . ?
C9 C10 1.515(3) . ?
C10 C11 1.514(3) . ?
C11 C12 1.515(4) . ?
O4 C13 1.510(3) . ?
C13 C14B 1.514(8) . ?
C13 C14A 1.533(5) . ?
C14A C15A 1.507(6) . ?
C15A C16A 1.531(7) . ?
C14B C15B 1.506(10) . ?
C15B C16B 1.531(12) . ?
C17 C18 1.510(4) . ?
C18 C19 1.512(4) . ?
C19 C20 1.522(4) . ?
C21 C22 1.513(3) . ?
C22 C23 1.532(3) . ?
C23 C24 1.511(4) . ?
