#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:18:54 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179784 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/80/7008093.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_7008093
loop_
_publ_author_name
'Ma, Haiyan'
'Melillo, Gianluca'
'Oliva, Leone'
'Spaniol, Thomas P.'
'Englert, Ulli'
'Okuda, Jun'
_publ_section_title
;
 Aluminium alkyl complexes supported by [OSSO] type bisphenolato
 ligands: synthesis, characterization and living polymerization of
 rac-lactide.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              721
_journal_page_last               727
_journal_paper_doi               10.1039/b416875e
_journal_year                    2005
_chemical_formula_sum            'C50 H70 Al2 O4 S4'
_chemical_formula_weight         917.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7048(17)
_cell_length_b                   16.380(3)
_cell_length_c                   28.722(5)
_cell_measurement_reflns_used    50262
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      1.89
_cell_volume                     5036.2(15)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        'SAINT, SADABS'
_computing_molecular_graphics    'Ortep-3 for Windows, Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Bruker AXS diffractometer with CCD area detector'
_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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            50262
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.265
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_correction_T_min  0.8573
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker area detector absorption detection'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         6270
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0410
_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)+(0.0611P)²+2.2698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                5520
_reflns_number_total             6270
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b416875e.txt
_cod_data_source_block           gm1
_cod_original_cell_volume        5036.2(14)
_cod_original_sg_symbol_H-M      Pccn
_cod_database_code               7008093
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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
Al Al -0.03725(4) 0.64120(3) 0.362317(15) 0.01908(11) Uani 1 1 d . . .
O1 O -0.08788(9) 0.66552(6) 0.30552(3) 0.0209(2) Uani 1 1 d . . .
O2 O -0.08725(9) 0.67763(6) 0.41748(3) 0.0198(2) Uani 1 1 d . . .
S1 S 0.08427(3) 0.77529(2) 0.352761(12) 0.02002(9) Uani 1 1 d . . .
S2 S -0.24885(3) 0.56548(2) 0.369066(11) 0.01834(9) Uani 1 1 d . . .
C1 C -0.01992(13) 0.70947(8) 0.27513(5) 0.0198(3) Uani 1 1 d . . .
C2 C 0.06238(13) 0.76961(8) 0.29167(5) 0.0198(3) Uani 1 1 d . . .
C3 C 0.12939(14) 0.82001(8) 0.26150(5) 0.0231(3) Uani 1 1 d . . .
H3 H 0.1851 0.8599 0.2736 0.028 Uiso 1 1 calc R . .
C4 C 0.11436(14) 0.81170(9) 0.21411(5) 0.0258(3) Uani 1 1 d . . .
C5 C 0.03686(15) 0.74920(10) 0.19785(5) 0.0270(3) Uani 1 1 d . . .
H5 H 0.0289 0.7425 0.1651 0.032 Uiso 1 1 calc R . .
C6 C -0.02941(14) 0.69610(9) 0.22654(5) 0.0236(3) Uani 1 1 d . . .
C7 C 0.18056(17) 0.86769(11) 0.18051(6) 0.0344(4) Uani 1 1 d . . .
H7A H 0.1191 0.9019 0.1645 0.052 Uiso 1 1 calc R . .
H7B H 0.2264 0.8350 0.1576 0.052 Uiso 1 1 calc R . .
H7C H 0.2392 0.9025 0.1976 0.052 Uiso 1 1 calc R . .
C8 C -0.10485(17) 0.62418(10) 0.20689(5) 0.0309(4) Uani 1 1 d . . .
C9 C -0.1004(2) 0.62125(14) 0.15353(6) 0.0518(6) Uani 1 1 d . . .
H9A H -0.0132 0.6182 0.1432 0.078 Uiso 1 1 calc R . .
H9B H -0.1392 0.6706 0.1408 0.078 Uiso 1 1 calc R . .
H9C H -0.1459 0.5731 0.1425 0.078 Uiso 1 1 calc R . .
C10 C -0.0475(2) 0.54428(11) 0.22480(7) 0.0441(5) Uani 1 1 d . . .
H10A H 0.0396 0.5405 0.2146 0.066 Uiso 1 1 calc R . .
H10B H -0.0948 0.4979 0.2124 0.066 Uiso 1 1 calc R . .
H10C H -0.0509 0.5434 0.2589 0.066 Uiso 1 1 calc R . .
C11 C -0.24246(19) 0.62835(13) 0.22143(7) 0.0434(5) Uani 1 1 d . . .
H11A H -0.2881 0.5827 0.2074 0.065 Uiso 1 1 calc R . .
H11B H -0.2786 0.6801 0.2108 0.065 Uiso 1 1 calc R . .
H11C H -0.2486 0.6249 0.2554 0.065 Uiso 1 1 calc R . .
C12 C -0.01852(13) 0.85979(8) 0.36945(5) 0.0201(3) Uani 1 1 d . . .
H12A H -0.0126 0.8682 0.4035 0.024 Uiso 1 1 calc R . .
H12B H 0.0108 0.9104 0.3541 0.024 Uiso 1 1 calc R . .
C13 C -0.14694(13) 0.62786(8) 0.44757(5) 0.0183(3) Uani 1 1 d . . .
C14 C -0.23424(13) 0.57149(8) 0.43030(5) 0.0183(3) Uani 1 1 d . . .
C15 C -0.30164(13) 0.51993(8) 0.45956(5) 0.0199(3) Uani 1 1 d . . .
H15 H -0.3596 0.4820 0.4469 0.024 Uiso 1 1 calc R . .
C16 C -0.28365(13) 0.52427(9) 0.50732(5) 0.0214(3) Uani 1 1 d . . .
C17 C -0.19436(14) 0.57885(9) 0.52419(5) 0.0215(3) Uani 1 1 d . . .
H17 H -0.1810 0.5808 0.5569 0.026 Uiso 1 1 calc R . .
C18 C -0.12356(13) 0.63061(8) 0.49613(5) 0.0194(3) Uani 1 1 d . . .
C19 C -0.35683(15) 0.47074(10) 0.54019(5) 0.0272(3) Uani 1 1 d . . .
H19A H -0.4241 0.4434 0.5231 0.041 Uiso 1 1 calc R . .
H19B H -0.3927 0.5043 0.5650 0.041 Uiso 1 1 calc R . .
H19C H -0.3012 0.4297 0.5538 0.041 Uiso 1 1 calc R . .
C20 C -0.02281(14) 0.68651(9) 0.51654(5) 0.0232(3) Uani 1 1 d . . .
C21 C -0.05457(17) 0.77622(9) 0.50741(6) 0.0326(4) Uani 1 1 d . . .
H21A H -0.0623 0.7853 0.4738 0.049 Uiso 1 1 calc R . .
H21B H 0.0120 0.8110 0.5199 0.049 Uiso 1 1 calc R . .
H21C H -0.1337 0.7898 0.5227 0.049 Uiso 1 1 calc R . .
C22 C 0.10414(15) 0.66540(11) 0.49470(6) 0.0333(4) Uani 1 1 d . . .
H22A H 0.1207 0.6070 0.4986 0.050 Uiso 1 1 calc R . .
H22B H 0.1700 0.6970 0.5101 0.050 Uiso 1 1 calc R . .
H22C H 0.1027 0.6788 0.4615 0.050 Uiso 1 1 calc R . .
C23 C -0.0093(2) 0.67539(12) 0.56914(6) 0.0399(4) Uani 1 1 d . . .
H23A H -0.0890 0.6878 0.5844 0.060 Uiso 1 1 calc R . .
H23B H 0.0554 0.7124 0.5809 0.060 Uiso 1 1 calc R . .
H23C H 0.0145 0.6188 0.5759 0.060 Uiso 1 1 calc R . .
C24 C -0.34690(13) 0.65453(8) 0.35663(5) 0.0190(3) Uani 1 1 d . . .
H24A H -0.3149 0.7021 0.3742 0.023 Uiso 1 1 calc R . .
H24B H -0.3414 0.6676 0.3230 0.023 Uiso 1 1 calc R . .
C25 C 0.09118(16) 0.55735(10) 0.36425(6) 0.0311(3) Uani 1 1 d . . .
H25A H 0.1727 0.5820 0.3578 0.047 Uiso 1 1 calc R . .
H25B H 0.0730 0.5156 0.3408 0.047 Uiso 1 1 calc R . .
H25C H 0.0925 0.5322 0.3952 0.047 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 0.0030 0.0020 '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 0.0640 0.0510 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1250 0.1230 '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 Al O2 131.03(5) . . ?
O1 Al C25 113.77(7) . . ?
O2 Al C25 115.16(7) . . ?
O1 Al S1 82.16(4) . . ?
O2 Al S1 87.74(4) . . ?
C25 Al S1 104.42(6) . . ?
O1 Al S2 84.76(4) . . ?
O2 Al S2 80.24(4) . . ?
C25 Al S2 106.15(6) . . ?
S1 Al S2 149.42(2) . . ?
C1 O1 Al 123.69(9) . . ?
C13 O2 Al 120.75(9) . . ?
C2 S1 C12 102.67(6) . . ?
C2 S1 Al 89.66(5) . . ?
C12 S1 Al 108.30(5) . . ?
C14 S2 C24 101.56(6) . . ?
C14 S2 Al 88.31(5) . . ?
C24 S2 Al 96.04(5) . . ?
O1 C1 C2 119.67(12) . . ?
O1 C1 C6 121.19(12) . . ?
C2 C1 C6 119.13(13) . . ?
C3 C2 C1 121.83(13) . . ?
C3 C2 S1 121.05(11) . . ?
C1 C2 S1 117.04(10) . . ?
C4 C3 C2 119.68(14) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 118.15(13) . . ?
C3 C4 C7 121.16(14) . . ?
C5 C4 C7 120.69(14) . . ?
C6 C5 C4 124.21(14) . . ?
C6 C5 H5 117.9 . . ?
C4 C5 H5 117.9 . . ?
C5 C6 C1 116.74(13) . . ?
C5 C6 C8 121.99(13) . . ?
C1 C6 C8 121.22(13) . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C11 C8 C10 109.33(15) . . ?
C11 C8 C9 107.68(16) . . ?
C10 C8 C9 107.20(16) . . ?
C11 C8 C6 111.79(13) . . ?
C10 C8 C6 108.72(15) . . ?
C9 C8 C6 112.00(13) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C24 C12 S1 113.14(9) 2_465 . ?
C24 C12 H12A 109.0 2_465 . ?
S1 C12 H12A 109.0 . . ?
C24 C12 H12B 109.0 2_465 . ?
S1 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
O2 C13 C14 119.10(12) . . ?
O2 C13 C18 121.83(12) . . ?
C14 C13 C18 119.06(12) . . ?
C15 C14 C13 122.03(12) . . ?
C15 C14 S2 121.36(11) . . ?
C13 C14 S2 116.53(10) . . ?
C16 C15 C14 119.58(13) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 118.11(13) . . ?
C15 C16 C19 121.15(13) . . ?
C17 C16 C19 120.74(13) . . ?
C18 C17 C16 124.16(13) . . ?
C18 C17 H17 117.9 . . ?
C16 C17 H17 117.9 . . ?
C17 C18 C13 116.96(13) . . ?
C17 C18 C20 121.70(12) . . ?
C13 C18 C20 121.32(12) . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C23 C20 C21 107.74(13) . . ?
C23 C20 C18 111.95(12) . . ?
C21 C20 C18 110.61(12) . . ?
C23 C20 C22 107.03(14) . . ?
C21 C20 C22 110.04(14) . . ?
C18 C20 C22 109.40(12) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C12 C24 S2 112.12(9) 2_465 . ?
C12 C24 H24A 109.2 2_465 . ?
S2 C24 H24A 109.2 . . ?
C12 C24 H24B 109.2 2_465 . ?
S2 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
Al C25 H25A 109.5 . . ?
Al C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Al C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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
Al O1 1.7645(11) . ?
Al O2 1.7755(11) . ?
Al C25 1.9441(16) . ?
Al S1 2.5673(6) . ?
Al S2 2.5897(6) . ?
O1 C1 1.3452(16) . ?
O2 C13 1.3490(16) . ?
S1 C2 1.7727(15) . ?
S1 C12 1.8320(14) . ?
S2 C14 1.7685(14) . ?
S2 C24 1.8321(14) . ?
C1 C2 1.404(2) . ?
C1 C6 1.416(2) . ?
C2 C3 1.3954(19) . ?
C3 C4 1.377(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.398(2) . ?
C4 C7 1.508(2) . ?
C5 C6 1.392(2) . ?
C5 H5 0.9500 . ?
C6 C8 1.536(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.533(3) . ?
C8 C10 1.534(3) . ?
C8 C9 1.534(2) . ?
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 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C24 1.505(2) 2_465 ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.4042(19) . ?
C13 C18 1.4180(19) . ?
C14 C15 1.3928(19) . ?
C15 C16 1.3872(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(2) . ?
C16 C19 1.5078(19) . ?
C17 C18 1.394(2) . ?
C17 H17 0.9500 . ?
C18 C20 1.531(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C23 1.529(2) . ?
C20 C21 1.531(2) . ?
C20 C22 1.536(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
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 C12 1.505(2) 2_465 ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
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
O2 Al O1 C1 108.40(11) . . . . ?
C25 Al O1 C1 -74.03(12) . . . . ?
S1 Al O1 C1 28.33(10) . . . . ?
S2 Al O1 C1 -179.38(10) . . . . ?
O1 Al O2 C13 112.45(10) . . . . ?
C25 Al O2 C13 -65.09(12) . . . . ?
S1 Al O2 C13 -169.97(10) . . . . ?
S2 Al O2 C13 38.27(9) . . . . ?
O1 Al S1 C2 -17.52(6) . . . . ?
O2 Al S1 C2 -149.48(6) . . . . ?
C25 Al S1 C2 95.10(7) . . . . ?
S2 Al S1 C2 -83.06(6) . . . . ?
O1 Al S1 C12 85.72(6) . . . . ?
O2 Al S1 C12 -46.24(6) . . . . ?
C25 Al S1 C12 -161.66(7) . . . . ?
S2 Al S1 C12 20.18(7) . . . . ?
O1 Al S2 C14 -159.34(6) . . . . ?
O2 Al S2 C14 -26.13(5) . . . . ?
C25 Al S2 C14 87.41(7) . . . . ?
S1 Al S2 C14 -94.44(6) . . . . ?
O1 Al S2 C24 -57.89(6) . . . . ?
O2 Al S2 C24 75.32(6) . . . . ?
C25 Al S2 C24 -171.15(7) . . . . ?
S1 Al S2 C24 7.00(6) . . . . ?
Al O1 C1 C2 -30.70(17) . . . . ?
Al O1 C1 C6 149.11(11) . . . . ?
O1 C1 C2 C3 -176.18(13) . . . . ?
C6 C1 C2 C3 4.0(2) . . . . ?
O1 C1 C2 S1 7.16(18) . . . . ?
C6 C1 C2 S1 -172.65(11) . . . . ?
C12 S1 C2 C3 83.90(13) . . . . ?
Al S1 C2 C3 -167.41(11) . . . . ?
C12 S1 C2 C1 -99.41(12) . . . . ?
Al S1 C2 C1 9.29(11) . . . . ?
C1 C2 C3 C4 0.6(2) . . . . ?
S1 C2 C3 C4 177.17(11) . . . . ?
C2 C3 C4 C5 -3.6(2) . . . . ?
C2 C3 C4 C7 177.09(14) . . . . ?
C3 C4 C5 C6 2.0(2) . . . . ?
C7 C4 C5 C6 -178.64(16) . . . . ?
C4 C5 C6 C1 2.5(2) . . . . ?
C4 C5 C6 C8 -174.97(16) . . . . ?
O1 C1 C6 C5 174.81(13) . . . . ?
C2 C1 C6 C5 -5.4(2) . . . . ?
O1 C1 C6 C8 -7.7(2) . . . . ?
C2 C1 C6 C8 172.12(14) . . . . ?
C5 C6 C8 C11 -122.78(17) . . . . ?
C1 C6 C8 C11 59.8(2) . . . . ?
C5 C6 C8 C10 116.43(17) . . . . ?
C1 C6 C8 C10 -60.94(19) . . . . ?
C5 C6 C8 C9 -1.8(2) . . . . ?
C1 C6 C8 C9 -179.21(17) . . . . ?
C2 S1 C12 C24 58.93(11) . . . 2_465 ?
Al S1 C12 C24 -34.97(11) . . . 2_465 ?
Al O2 C13 C14 -38.93(16) . . . . ?
Al O2 C13 C18 140.77(11) . . . . ?
O2 C13 C14 C15 -178.17(12) . . . . ?
C18 C13 C14 C15 2.1(2) . . . . ?
O2 C13 C14 S2 4.92(17) . . . . ?
C18 C13 C14 S2 -174.78(10) . . . . ?
C24 S2 C14 C15 103.78(12) . . . . ?
Al S2 C14 C15 -160.40(11) . . . . ?
C24 S2 C14 C13 -79.29(11) . . . . ?
Al S2 C14 C13 16.53(10) . . . . ?
C13 C14 C15 C16 0.6(2) . . . . ?
S2 C14 C15 C16 177.32(11) . . . . ?
C14 C15 C16 C17 -2.2(2) . . . . ?
C14 C15 C16 C19 178.69(13) . . . . ?
C15 C16 C17 C18 1.3(2) . . . . ?
C19 C16 C17 C18 -179.61(14) . . . . ?
C16 C17 C18 C13 1.3(2) . . . . ?
C16 C17 C18 C20 -177.25(13) . . . . ?
O2 C13 C18 C17 177.34(12) . . . . ?
C14 C13 C18 C17 -2.96(19) . . . . ?
O2 C13 C18 C20 -4.1(2) . . . . ?
C14 C13 C18 C20 175.61(12) . . . . ?
C17 C18 C20 C23 1.9(2) . . . . ?
C13 C18 C20 C23 -176.60(14) . . . . ?
C17 C18 C20 C21 -118.27(15) . . . . ?
C13 C18 C20 C21 63.23(18) . . . . ?
C17 C18 C20 C22 120.37(15) . . . . ?
C13 C18 C20 C22 -58.14(17) . . . . ?
C14 S2 C24 C12 -75.62(11) . . . 2_465 ?
Al S2 C24 C12 -165.12(9) . . . 2_465 ?
