#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:03:06 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/96/7049638.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_7049638
loop_
_publ_author_name
'Palenzuela, Miguel'
'Muñoz, Mª Teresa'
'Vega, Juan F.'
'Gutiérrez-Rodríguez, Ángel'
'Cuenca, Tomás'
'Mosquera, Marta E. G.'
_publ_section_title
;
 Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a
 catalyst for selective vinyl polymerization.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6435
_journal_page_last               6444
_journal_paper_doi               10.1039/c9dt00761j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C78  H84  Al2  Li2  O2.2C7 H8'
_chemical_formula_sum            'C92 H100 Al2 Li2 O2'
_chemical_formula_weight         1305.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-03-24 deposited with the CCDC.    2019-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.61
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.501
_cell_length_b                   10.255
_cell_length_c                   30.557
_cell_measurement_reflns_used    69
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      19.04
_cell_measurement_theta_min      3.21
_cell_measurement_wavelength     0.71073
_cell_volume                     4802.683
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2008 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      0.01
_diffrn_orient_matrix_UB_12      0
_diffrn_orient_matrix_UB_13      0
_diffrn_orient_matrix_UB_21      0
_diffrn_orient_matrix_UB_22      0.01
_diffrn_orient_matrix_UB_23      0
_diffrn_orient_matrix_UB_31      0
_diffrn_orient_matrix_UB_32      0
_diffrn_orient_matrix_UB_33      0.01
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1994
_diffrn_reflns_av_unetI/netI     0.0974
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.913
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            69473
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.891
_diffrn_reflns_theta_min         3.000
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  1.512
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    0.903
_exptl_crystal_description       block
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.40
_platon_squeeze_details
;                           
Two molecules of toluene crystallized with every molecule of this 
 compound but presented severe disorder and it was not possible to get a 
 chemical sensible model for them, so Squeeze procedure was used to remove 
 their contribution to the structure factors.
;
_refine_diff_density_max         0.882
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       0.0043(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         9454
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1501
_refine_ls_R_factor_gt           0.0993
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1161P)²+5.8792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2540
_refine_ls_wR_factor_ref         0.2873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5688
_reflns_number_total             9454
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00761j2.cif
_cod_data_source_block           2a_3tol
_cod_depositor_comments
'Adding full bibliography for 7049638--7049641.cif.'
_cod_original_cell_volume        4802.9
_cod_database_code               7049638
_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.
;
_platon_squeeze_void_probe_radius 1.20
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.3783(3) 0.3930(4) 0.46424(16) 0.0643(11) Uani 1 1 d . . . . .
H1A H 0.4153 0.4698 0.4715 0.096 Uiso 1 1 calc R U . . .
H1B H 0.3528 0.3663 0.4903 0.096 Uiso 1 1 calc R U . . .
H1C H 0.3315 0.4143 0.4400 0.096 Uiso 1 1 calc R U . . .
C2 C 0.5245(2) 0.3104(4) 0.40314(12) 0.0511(9) Uani 1 1 d . . . . .
H2A H 0.5650 0.3767 0.4172 0.077 Uiso 1 1 calc R U . . .
H2B H 0.4880 0.3484 0.3773 0.077 Uiso 1 1 calc R U . . .
H2C H 0.5576 0.2369 0.3937 0.077 Uiso 1 1 calc R U . . .
C3 C 0.5218(2) 0.1648(3) 0.49738(11) 0.0410(8) Uani 1 1 d . . . . .
H3A H 0.5606 0.2299 0.5135 0.061 Uiso 1 1 calc R U . . .
H3B H 0.5568 0.0948 0.4870 0.061 Uiso 1 1 calc R U . . .
H3C H 0.4837 0.1283 0.5171 0.061 Uiso 1 1 calc R U . . .
C4 C 0.1673(2) 0.1263(5) 0.32327(14) 0.0636(12) Uani 1 1 d . . . . .
C5 C 0.1571(2) 0.1397(4) 0.36685(15) 0.0611(11) Uani 1 1 d . . . . .
H5 H 0.1002 0.1544 0.3738 0.073 Uiso 1 1 calc R U . . .
C6 C 0.2268(2) 0.1327(4) 0.40127(12) 0.0468(9) Uani 1 1 d . . . . .
C7 C 0.0888(3) 0.1393(6) 0.28552(19) 0.0873(16) Uani 1 1 d . . . . .
C8 C 0.0223(8) 0.0319(14) 0.2923(4) 0.078(4) Uiso 0.449(9) 1 d . . P A 1
H8A H -0.0244 0.0303 0.2669 0.118 Uiso 0.449(9) 1 calc R U P A 1
H8B H -0.0026 0.0500 0.3193 0.118 Uiso 0.449(9) 1 calc R U P A 1
H8C H 0.0518 -0.0530 0.2951 0.118 Uiso 0.449(9) 1 calc R U P A 1
C9 C 0.1126(8) 0.2547(12) 0.2520(4) 0.088(4) Uiso 0.449(9) 1 d . . P A 1
H9A H 0.0644 0.2644 0.2275 0.133 Uiso 0.449(9) 1 calc R U P A 1
H9B H 0.1660 0.2313 0.2402 0.133 Uiso 0.449(9) 1 calc R U P A 1
H9C H 0.1215 0.3371 0.2682 0.133 Uiso 0.449(9) 1 calc R U P A 1
C10 C 0.0212(9) 0.2532(13) 0.3019(5) 0.089(4) Uiso 0.449(9) 1 d . . P A 1
H10A H -0.0329 0.2563 0.2807 0.134 Uiso 0.449(9) 1 calc R U P A 1
H10B H 0.0498 0.3387 0.3031 0.134 Uiso 0.449(9) 1 calc R U P A 1
H10C H 0.0077 0.2305 0.3312 0.134 Uiso 0.449(9) 1 calc R U P A 1
C8' C 0.0093(13) 0.098(2) 0.3005(7) 0.175(8) Uiso 0.551(9) 1 d . . P A 2
H8'1 H 0.0197 0.0172 0.3174 0.263 Uiso 0.551(9) 1 calc R U P A 2
H8'2 H -0.0359 0.0838 0.2749 0.263 Uiso 0.551(9) 1 calc R U P A 2
H8'3 H -0.0101 0.1662 0.3194 0.263 Uiso 0.551(9) 1 calc R U P A 2
C9' C 0.1069(7) 0.0682(11) 0.2419(4) 0.096(4) Uiso 0.551(9) 1 d . . P A 2
H9'1 H 0.1257 -0.0216 0.2489 0.144 Uiso 0.551(9) 1 calc R U P A 2
H9'2 H 0.1528 0.1148 0.2294 0.144 Uiso 0.551(9) 1 calc R U P A 2
H9'3 H 0.0534 0.0672 0.2203 0.144 Uiso 0.551(9) 1 calc R U P A 2
C10' C 0.0653(9) 0.2691(13) 0.2782(5) 0.118(4) Uiso 0.551(9) 1 d . . P A 2
H10D H 0.0126 0.2742 0.2561 0.178 Uiso 0.551(9) 1 calc R U P A 2
H10E H 0.1129 0.3160 0.2672 0.178 Uiso 0.551(9) 1 calc R U P A 2
H10F H 0.0540 0.3087 0.3059 0.178 Uiso 0.551(9) 1 calc R U P A 2
C11 C 0.4131(2) 0.0551(3) 0.33778(11) 0.0403(8) Uani 1 1 d . . . . .
H11 H 0.4532 0.1261 0.3508 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4205(2) 0.0504(4) 0.28859(11) 0.0467(9) Uani 1 1 d . . . . .
C13 C 0.3967(3) -0.0589(4) 0.26314(13) 0.0682(12) Uani 1 1 d . . . . .
H13 H 0.3752 -0.1337 0.2764 0.082 Uiso 1 1 calc R U . . .
C14 C 0.4039(4) -0.0604(5) 0.21870(14) 0.0855(16) Uani 1 1 d . . . . .
H14 H 0.3874 -0.1365 0.2018 0.103 Uiso 1 1 calc R U . . .
C15 C 0.4340(4) 0.0442(6) 0.19871(15) 0.0885(16) Uani 1 1 d . . . . .
H15 H 0.4396 0.0417 0.1682 0.106 Uiso 1 1 calc R U . . .
C16 C 0.4564(4) 0.1542(5) 0.22345(16) 0.0849(15) Uani 1 1 d . . . . .
H16 H 0.4759 0.2296 0.2098 0.102 Uiso 1 1 calc R U . . .
C17 C 0.4507(3) 0.1558(4) 0.26833(14) 0.0652(11) Uani 1 1 d . . . . .
H17 H 0.4682 0.2316 0.2852 0.078 Uiso 1 1 calc R U . . .
C18 C 0.4463(2) -0.0701(3) 0.36110(10) 0.0411(8) Uani 1 1 d . . . . .
C19 C 0.5353(3) -0.0857(4) 0.37473(12) 0.0531(10) Uani 1 1 d . . . . .
H19 H 0.5743 -0.0168 0.3706 0.064 Uiso 1 1 calc R U . . .
C20 C 0.5678(3) -0.2016(5) 0.39444(13) 0.0685(13) Uani 1 1 d . . . . .
H20 H 0.6288 -0.2121 0.4031 0.082 Uiso 1 1 calc R U . . .
C22 C 0.5124(4) -0.3003(5) 0.40138(13) 0.0708(14) Uani 1 1 d . . . . .
H22 H 0.5349 -0.3787 0.4152 0.085 Uiso 1 1 calc R U . . .
C23 C 0.4243(3) -0.2865(4) 0.38837(13) 0.0642(12) Uani 1 1 d . . . . .
H23 H 0.3857 -0.3554 0.3931 0.077 Uiso 1 1 calc R U . . .
C24 C 0.3917(3) -0.1716(4) 0.36834(12) 0.0523(10) Uani 1 1 d . . . . .
H24 H 0.3306 -0.1626 0.3594 0.063 Uiso 1 1 calc R U . . .
C25 C 0.2152(2) 0.1353(4) 0.44988(13) 0.0509(10) Uani 1 1 d . . . . .
H25 H 0.2618 0.1941 0.4651 0.061 Uiso 1 1 calc R U . . .
C26 C 0.1287(3) 0.1943(5) 0.45737(15) 0.0660(12) Uani 1 1 d . . . . .
C27 C 0.1186(3) 0.3292(6) 0.4566(2) 0.0979(18) Uani 1 1 d . . . . .
H27 H 0.1673 0.3829 0.4538 0.118 Uiso 1 1 calc R U . . .
C28 C 0.0384(4) 0.3872(7) 0.4599(3) 0.126(3) Uani 1 1 d . . . . .
H28 H 0.0325 0.4794 0.4588 0.151 Uiso 1 1 calc R U . . .
C29 C -0.0317(4) 0.3099(8) 0.4648(3) 0.122(2) Uani 1 1 d . . . . .
H29 H -0.0865 0.3484 0.4673 0.147 Uiso 1 1 calc R U . . .
C30 C -0.0226(3) 0.1775(8) 0.4659(2) 0.107(2) Uani 1 1 d . . . . .
H30 H -0.0709 0.1246 0.4703 0.129 Uiso 1 1 calc R U . . .
C31 C 0.0563(3) 0.1189(6) 0.46080(17) 0.0791(14) Uani 1 1 d . . . . .
H31 H 0.0603 0.0265 0.4596 0.095 Uiso 1 1 calc R U . . .
C32 C 0.2313(2) 0.0021(4) 0.47118(13) 0.0507(10) Uani 1 1 d . . . . .
C33 C 0.2241(2) -0.1123(4) 0.44729(14) 0.0586(11) Uani 1 1 d . . . . .
H33 H 0.2096 -0.1087 0.4160 0.070 Uiso 1 1 calc R U . . .
C34 C 0.2375(3) -0.2323(5) 0.46785(19) 0.0776(14) Uani 1 1 d . . . . .
H34 H 0.2323 -0.3104 0.4509 0.093 Uiso 1 1 calc R U . . .
C35 C 0.2589(3) -0.2370(7) 0.5141(2) 0.0886(18) Uani 1 1 d . . . . .
H35 H 0.2686 -0.3183 0.5289 0.106 Uiso 1 1 calc R U . . .
C36 C 0.2656(3) -0.1253(7) 0.53706(17) 0.0817(16) Uani 1 1 d . . . . .
H36 H 0.2802 -0.1290 0.5684 0.098 Uiso 1 1 calc R U . . .
C37 C 0.2523(2) -0.0068(5) 0.51721(14) 0.0684(13) Uani 1 1 d . . . . .
H37 H 0.2573 0.0702 0.5347 0.082 Uiso 1 1 calc R U . . .
C41 C 0.3106(2) 0.1144(3) 0.39051(11) 0.0394(8) Uani 1 1 d . . . . .
C42 C 0.3230(2) 0.0920(3) 0.34685(11) 0.0412(8) Uani 1 1 d . . . . .
C43 C 0.2503(2) 0.0997(4) 0.31350(12) 0.0531(10) Uani 1 1 d . . . . .
H43 H 0.2580 0.0865 0.2836 0.064 Uiso 1 1 calc R U . . .
Al1 Al 0.44955(6) 0.24873(10) 0.44577(3) 0.0369(3) Uani 1 1 d . . . . .
Li1 Li 0.4008(5) -0.0613(7) 0.4443(2) 0.0599(18) Uani 1 1 d . . . . .
O1 O 0.38104(12) 0.1094(2) 0.42407(7) 0.0360(5) 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'
Li Li -0.0003 0.0001 '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'
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
Al1 C3 Li1 177.2(3) . 3_656
C5 C4 C43 118.2(3) . .
C5 C4 C7 121.4(4) . .
C43 C4 C7 120.3(4) . .
C4 C5 C6 122.6(4) . .
C5 C6 C41 118.2(4) . .
C5 C6 C25 122.9(3) . .
C41 C6 C25 118.7(3) . .
C10' C7 C8' 96.6(11) . .
C10' C7 C4 111.1(7) . .
C8' C7 C4 110.6(9) . .
C8 C7 C4 107.7(6) . .
C10' C7 C9' 112.4(8) . .
C8' C7 C9' 113.7(10) . .
C4 C7 C9' 111.6(5) . .
C8 C7 C9 144.5(7) . .
C4 C7 C9 107.5(6) . .
C8 C7 C10 89.9(7) . .
C4 C7 C10 106.9(6) . .
C9 C7 C10 83.9(7) . .
C42 C11 C18 112.5(3) . .
C42 C11 C12 113.4(3) . .
C18 C11 C12 111.4(3) . .
C17 C12 C13 118.0(4) . .
C17 C12 C11 120.3(3) . .
C13 C12 C11 121.8(3) . .
C14 C13 C12 120.5(4) . .
C15 C14 C13 121.4(5) . .
C14 C15 C16 118.6(4) . .
C15 C16 C17 120.4(5) . .
C12 C17 C16 121.1(4) . .
C24 C18 C19 118.1(3) . .
C24 C18 C11 122.6(3) . .
C19 C18 C11 119.3(3) . .
C24 C18 Li1 68.1(2) . .
C19 C18 Li1 96.2(3) . .
C11 C18 Li1 106.9(3) . .
C18 C19 C20 120.4(4) . .
C22 C20 C19 120.4(4) . .
C20 C22 C23 120.1(4) . .
C22 C23 C24 119.8(4) . .
C18 C24 C23 121.3(4) . .
C18 C24 Li1 82.0(3) . .
C23 C24 Li1 90.5(3) . .
C32 C25 C26 112.7(3) . .
C32 C25 C6 111.5(3) . .
C26 C25 C6 112.9(3) . .
C31 C26 C27 117.8(4) . .
C31 C26 C25 122.3(4) . .
C27 C26 C25 119.6(4) . .
C26 C27 C28 121.5(6) . .
C29 C28 C27 119.3(6) . .
C30 C29 C28 119.8(5) . .
C29 C30 C31 121.0(5) . .
C26 C31 C30 120.3(5) . .
C33 C32 C37 117.7(4) . .
C33 C32 C25 123.0(3) . .
C37 C32 C25 119.3(4) . .
C32 C33 C34 121.5(4) . .
C33 C34 C35 119.0(5) . .
C36 C35 C34 119.1(5) . .
C35 C36 C37 122.4(5) . .
C36 C37 C32 120.3(5) . .
O1 C41 C42 119.7(3) . .
O1 C41 C6 119.3(3) . .
C42 C41 C6 120.9(3) . .
O1 C41 Li1 40.53(19) . .
C42 C41 Li1 109.9(3) . .
C6 C41 Li1 111.2(3) . .
C41 C42 C43 118.3(3) . .
C41 C42 C11 118.7(3) . .
C43 C42 C11 123.0(3) . .
C4 C43 C42 121.6(4) . .
O1 Al1 C2 112.04(14) . .
O1 Al1 C1 111.48(15) . .
C2 Al1 C1 110.93(19) . .
O1 Al1 C3 100.10(13) . .
C2 Al1 C3 110.17(15) . .
C1 Al1 C3 111.70(18) . .
O1 Al1 Li1 28.49(12) . .
C2 Al1 Li1 117.45(18) . .
C1 Al1 Li1 126.4(2) . .
C3 Al1 Li1 72.00(14) . .
O1 Li1 C3 138.1(3) . 3_656
O1 Li1 C24 97.4(3) . .
C3 Li1 C24 117.2(3) 3_656 .
O1 Li1 C41 28.78(13) . .
C3 Li1 C41 164.7(3) 3_656 .
C24 Li1 C41 77.79(19) . .
O1 Li1 C18 77.0(2) . .
C3 Li1 C18 122.4(3) 3_656 .
C24 Li1 C18 29.92(13) . .
C41 Li1 C18 68.70(18) . .
O1 Li1 Al1 28.11(12) . .
C3 Li1 Al1 110.6(2) 3_656 .
C24 Li1 Al1 115.0(2) . .
C41 Li1 Al1 56.89(14) . .
C18 Li1 Al1 87.3(2) . .
C41 O1 Al1 125.9(2) . .
C41 O1 Li1 110.7(3) . .
Al1 O1 Li1 123.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 Al1 1.978(4) .
C2 Al1 1.974(4) .
C3 Al1 1.989(3) .
C3 Li1 2.258(7) 3_656
C4 C5 1.371(6) .
C4 C43 1.391(6) .
C4 C7 1.552(5) .
C5 C6 1.393(5) .
C6 C41 1.398(5) .
C6 C25 1.523(5) .
C7 C10' 1.389(13) .
C7 C8' 1.44(2) .
C7 C8 1.544(13) .
C7 C9' 1.581(11) .
C7 C9 1.643(13) .
C7 C10 1.693(14) .
C11 C42 1.512(5) .
C11 C18 1.521(5) .
C11 C12 1.525(5) .
C12 C17 1.363(5) .
C12 C13 1.383(5) .
C13 C14 1.379(6) .
C14 C15 1.352(7) .
C15 C16 1.372(7) .
C16 C17 1.387(6) .
C18 C24 1.381(5) .
C18 C19 1.389(5) .
C18 Li1 2.741(8) .
C19 C20 1.392(6) .
C20 C22 1.364(7) .
C22 C23 1.372(7) .
C23 C24 1.388(6) .
C24 Li1 2.568(8) .
C25 C32 1.518(6) .
C25 C26 1.519(5) .
C26 C31 1.380(6) .
C26 C27 1.392(7) .
C27 C28 1.394(7) .
C28 C29 1.372(9) .
C29 C30 1.364(9) .
C30 C31 1.393(7) .
C32 C33 1.377(6) .
C32 C37 1.399(5) .
C33 C34 1.384(6) .
C34 C35 1.403(8) .
C35 C36 1.339(8) .
C36 C37 1.360(7) .
C41 O1 1.383(4) .
C41 C42 1.395(5) .
C41 Li1 2.687(7) .
C42 C43 1.404(5) .
Al1 O1 1.844(2) .
Al1 Li1 3.267(7) .
Li1 O1 1.867(7) .
Li1 C3 2.258(7) 3_656
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.000 -0.028 0.250 937 228 ' '
2 -0.000 0.104 0.750 939 228 ' '
