#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/48/7104882.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_7104882
loop_
_publ_author_name
'Hlavinka, Mark L.'
'Hagadorn, John R.'
_publ_section_title
;
 New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands
 and their dinuclear zinc and aluminium complexes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   21
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2686
_journal_page_last               2687
_journal_paper_doi               10.1039/b309732c
_journal_year                    2003
_chemical_formula_sum            'C24 H38 Al2 N4 O'
_chemical_formula_weight         452.54
_chemical_name_common            LAl2Me4
_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                 99.5860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3634(4)
_cell_length_b                   10.6542(3)
_cell_length_c                   18.4122(6)
_cell_measurement_reflns_used    7680
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      31.509
_cell_measurement_theta_min      2.217
_cell_volume                     2584.86(14)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19632
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
semi-empirical absorption correction applied
using SADABS (Blessing, R. H. Acta Crystallogr., Sect. A 1995, 51, 33-38)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tablet
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.436
_refine_diff_density_min         -0.317
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         5916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0488
_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)+(0.0567P)²+0.7562P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                4508
_reflns_number_total             5916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b309732c.txt
_cod_data_source_block           compound_5
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7104882
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
Al1 Al 0.36403(4) 0.38113(5) 0.34152(3) 0.02263(14) Uani 1 1 d . . .
Al2 Al -0.12318(4) 0.48837(5) 0.35584(3) 0.02453(14) Uani 1 1 d . . .
O1 O 0.23695(9) 0.60691(11) 0.37879(7) 0.0233(3) Uani 1 1 d . . .
N1 N 0.49601(12) 0.28971(14) 0.33314(8) 0.0256(3) Uani 1 1 d . . .
N2 N 0.44543(12) 0.51150(14) 0.38734(8) 0.0245(3) Uani 1 1 d . . .
N3 N 0.00948(12) 0.53836(14) 0.35164(8) 0.0256(3) Uani 1 1 d . . .
N4 N -0.07491(12) 0.31066(14) 0.34669(8) 0.0268(3) Uani 1 1 d . . .
C1 C 0.49063(17) 0.15079(18) 0.33642(14) 0.0410(5) Uani 1 1 d . . .
H1A H 0.4396 0.1202 0.2958 0.061 Uiso 1 1 calc R . .
H1B H 0.4717 0.1253 0.3834 0.061 Uiso 1 1 calc R . .
H1C H 0.5570 0.1151 0.3322 0.061 Uiso 1 1 calc R . .
C2 C 0.53581(17) 0.3263(2) 0.26572(11) 0.0378(5) Uani 1 1 d . . .
H2A H 0.5343 0.4179 0.2609 0.057 Uiso 1 1 calc R . .
H2B H 0.4936 0.2887 0.2226 0.057 Uiso 1 1 calc R . .
H2C H 0.6058 0.2965 0.2691 0.057 Uiso 1 1 calc R . .
C3 C 0.56370(15) 0.33755(17) 0.39987(10) 0.0276(4) Uani 1 1 d . . .
H3A H 0.6350 0.3152 0.3975 0.039 Uiso 1 1 calc R . .
H3B H 0.5451 0.2982 0.4445 0.039 Uiso 1 1 calc R . .
C4 C 0.55349(15) 0.47918(17) 0.40444(10) 0.0279(4) Uani 1 1 d . . .
H4A H 0.5823 0.5087 0.4545 0.039 Uiso 1 1 calc R . .
H4B H 0.5909 0.5202 0.3688 0.039 Uiso 1 1 calc R . .
C5 C 0.42345(14) 0.63585(16) 0.39970(9) 0.0233(4) Uani 1 1 d . . .
C6 C 0.49811(15) 0.72953(17) 0.41900(10) 0.0259(4) Uani 1 1 d . . .
H6 H 0.5675 0.7071 0.4222 0.031 Uiso 1 1 calc R . .
C7 C 0.47409(15) 0.85409(17) 0.43361(10) 0.0284(4) Uani 1 1 d . . .
H7 H 0.5276 0.9130 0.4459 0.034 Uiso 1 1 calc R . .
C8 C 0.37560(15) 0.89373(17) 0.43065(10) 0.0289(4) Uani 1 1 d . . .
H8 H 0.3601 0.9782 0.4410 0.035 Uiso 1 1 calc R . .
C9 C 0.29895(15) 0.80383(16) 0.41168(10) 0.0254(4) Uani 1 1 d . . .
C10 C 0.32334(14) 0.68071(16) 0.39596(9) 0.0229(4) Uani 1 1 d . . .
C11 C 0.15483(14) 0.68692(16) 0.38432(9) 0.0239(4) Uani 1 1 d . . .
C12 C 0.19001(15) 0.80814(16) 0.40494(10) 0.0253(4) Uani 1 1 d . . .
C13 C 0.12230(16) 0.90418(17) 0.41542(11) 0.0299(4) Uani 1 1 d . . .
H13 H 0.1454 0.9866 0.4288 0.036 Uiso 1 1 calc R . .
C14 C 0.02092(16) 0.87402(17) 0.40547(11) 0.0303(4) Uani 1 1 d . . .
H14 H -0.0269 0.9366 0.4131 0.036 Uiso 1 1 calc R . .
C15 C -0.01337(15) 0.75391(17) 0.38439(10) 0.0277(4) Uani 1 1 d . . .
H15 H -0.0843 0.7384 0.3775 0.033 Uiso 1 1 calc R . .
C16 C 0.05197(14) 0.65311(16) 0.37263(9) 0.0240(4) Uani 1 1 d . . .
C17 C 0.07401(15) 0.43828(17) 0.33037(12) 0.0310(4) Uani 1 1 d . . .
H17A H 0.1225 0.4093 0.3737 0.043 Uiso 1 1 calc R . .
H17B H 0.1130 0.4692 0.2927 0.043 Uiso 1 1 calc R . .
C18 C 0.00428(15) 0.33109(18) 0.29930(11) 0.0304(4) Uani 1 1 d . . .
H18A H -0.0287 0.3516 0.2485 0.043 Uiso 1 1 calc R . .
H18B H 0.0445 0.2534 0.2976 0.043 Uiso 1 1 calc R . .
C19 C -0.02840(18) 0.25934(19) 0.41963(11) 0.0371(5) Uani 1 1 d . . .
H19A H -0.0818 0.2417 0.4488 0.056 Uiso 1 1 calc R . .
H19B H 0.0191 0.3209 0.4455 0.056 Uiso 1 1 calc R . .
H19C H 0.0080 0.1816 0.4126 0.056 Uiso 1 1 calc R . .
C20 C -0.15188(17) 0.22071(19) 0.31029(12) 0.0361(5) Uani 1 1 d . . .
H20A H -0.1193 0.1400 0.3038 0.054 Uiso 1 1 calc R . .
H20B H -0.1828 0.2537 0.2621 0.054 Uiso 1 1 calc R . .
H20C H -0.2045 0.2089 0.3409 0.054 Uiso 1 1 calc R . .
C21 C 0.29558(16) 0.41383(19) 0.23987(11) 0.0317(4) Uani 1 1 d . . .
H21A H 0.2763 0.5025 0.2348 0.048 Uiso 1 1 calc R . .
H21B H 0.2347 0.3614 0.2289 0.048 Uiso 1 1 calc R . .
H21C H 0.3418 0.3938 0.2054 0.048 Uiso 1 1 calc R . .
C22 C 0.29969(15) 0.27343(18) 0.40736(11) 0.0296(4) Uani 1 1 d . . .
H22A H 0.3523 0.2294 0.4414 0.044 Uiso 1 1 calc R . .
H22B H 0.2557 0.2120 0.3780 0.044 Uiso 1 1 calc R . .
H22C H 0.2591 0.3253 0.4354 0.044 Uiso 1 1 calc R . .
C23 C -0.22165(17) 0.5301(2) 0.26752(12) 0.0372(5) Uani 1 1 d . . .
H23A H -0.2373 0.6200 0.2676 0.056 Uiso 1 1 calc R . .
H23B H -0.2840 0.4816 0.2675 0.056 Uiso 1 1 calc R . .
H23C H -0.1928 0.5096 0.2234 0.056 Uiso 1 1 calc R . .
C24 C -0.16778(16) 0.50736(19) 0.45131(11) 0.0335(4) Uani 1 1 d . . .
H24A H -0.1089 0.5020 0.4908 0.050 Uiso 1 1 calc R . .
H24B H -0.2160 0.4405 0.4575 0.050 Uiso 1 1 calc R . .
H24C H -0.2007 0.5891 0.4534 0.050 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'
N N 0.0061 0.0033 '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'
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
N2 Al1 C22 115.78(8) . . ?
N2 Al1 C21 116.01(8) . . ?
C22 Al1 C21 120.42(9) . . ?
N2 Al1 N1 86.77(7) . . ?
C22 Al1 N1 103.87(8) . . ?
C21 Al1 N1 106.40(8) . . ?
N2 Al1 Al2 110.66(5) . . ?
C22 Al1 Al2 62.95(6) . . ?
C21 Al1 Al2 72.86(6) . . ?
N1 Al1 Al2 161.25(5) . . ?
N3 Al2 C24 116.17(8) . . ?
N3 Al2 C23 114.28(9) . . ?
C24 Al2 C23 117.23(10) . . ?
N3 Al2 N4 86.85(7) . . ?
C24 Al2 N4 108.75(8) . . ?
C23 Al2 N4 108.84(8) . . ?
N3 Al2 Al1 26.47(5) . . ?
C24 Al2 Al1 119.93(7) . . ?
C23 Al2 Al1 122.04(7) . . ?
N4 Al2 Al1 60.46(5) . . ?
C10 O1 C11 105.63(13) . . ?
C2 N1 C1 108.85(16) . . ?
C2 N1 C3 110.35(15) . . ?
C1 N1 C3 109.57(15) . . ?
C2 N1 Al1 111.88(12) . . ?
C1 N1 Al1 115.10(13) . . ?
C3 N1 Al1 100.83(10) . . ?
C5 N2 C4 114.70(15) . . ?
C5 N2 Al1 131.27(13) . . ?
C4 N2 Al1 113.52(11) . . ?
C16 N3 C17 119.20(16) . . ?
C16 N3 Al2 126.36(13) . . ?
C17 N3 Al2 114.16(12) . . ?
C20 N4 C19 108.96(15) . . ?
C20 N4 C18 109.61(15) . . ?
C19 N4 C18 110.52(16) . . ?
C20 N4 Al2 115.94(13) . . ?
C19 N4 Al2 111.17(12) . . ?
C18 N4 Al2 100.34(11) . . ?
N1 C3 C4 109.75(15) . . ?
N2 C4 C3 108.40(15) . . ?
N2 C5 C10 122.79(16) . . ?
N2 C5 C6 123.83(17) . . ?
C10 C5 C6 113.37(16) . . ?
C7 C6 C5 122.81(18) . . ?
C8 C7 C6 122.11(17) . . ?
C7 C8 C9 117.03(17) . . ?
C10 C9 C8 120.52(18) . . ?
C10 C9 C12 106.25(16) . . ?
C8 C9 C12 133.21(17) . . ?
O1 C10 C9 111.46(16) . . ?
O1 C10 C5 124.37(15) . . ?
C9 C10 C5 124.13(16) . . ?
C16 C11 C12 123.57(16) . . ?
C16 C11 O1 126.14(15) . . ?
C12 C11 O1 110.28(15) . . ?
C13 C12 C11 120.93(18) . . ?
C13 C12 C9 132.69(17) . . ?
C11 C12 C9 106.37(15) . . ?
C14 C13 C12 117.13(17) . . ?
C13 C14 C15 121.55(18) . . ?
C14 C15 C16 123.65(18) . . ?
N3 C16 C11 128.27(17) . . ?
N3 C16 C15 118.57(17) . . ?
C11 C16 C15 113.16(16) . . ?
N3 C17 C18 107.18(16) . . ?
N4 C18 C17 109.76(15) . . ?
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
Al1 N2 1.8759(16) . ?
Al1 C22 1.9678(19) . ?
Al1 C21 1.973(2) . ?
Al1 N1 2.0430(17) . ?
Al1 Al2 6.6586(8) . ?
Al2 N3 1.8649(17) . ?
Al2 C24 1.958(2) . ?
Al2 C23 1.965(2) . ?
Al2 N4 2.0164(16) . ?
O1 C10 1.389(2) . ?
O1 C11 1.407(2) . ?
N1 C2 1.482(2) . ?
N1 C1 1.483(2) . ?
N1 C3 1.489(2) . ?
N2 C5 1.384(2) . ?
N2 C4 1.467(2) . ?
N3 C16 1.376(2) . ?
N3 C17 1.465(2) . ?
N4 C20 1.482(2) . ?
N4 C19 1.487(2) . ?
N4 C18 1.495(2) . ?
C3 C4 1.519(3) . ?
C5 C10 1.411(3) . ?
C5 C6 1.414(2) . ?
C6 C7 1.402(3) . ?
C7 C8 1.375(3) . ?
C8 C9 1.403(3) . ?
C9 C10 1.394(2) . ?
C9 C12 1.441(3) . ?
C11 C16 1.402(3) . ?
C11 C12 1.405(2) . ?
C12 C13 1.400(3) . ?
C13 C14 1.375(3) . ?
C14 C15 1.392(3) . ?
C15 C16 1.423(3) . ?
C17 C18 1.524(3) . ?
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
N2 Al1 Al2 N3 30.03(12) . . . . ?
C22 Al1 Al2 N3 139.26(13) . . . . ?
C21 Al1 Al2 N3 -81.94(13) . . . . ?
N1 Al1 Al2 N3 -172.54(18) . . . . ?
N2 Al1 Al2 C24 -59.15(9) . . . . ?
C22 Al1 Al2 C24 50.08(10) . . . . ?
C21 Al1 Al2 C24 -171.12(10) . . . . ?
N1 Al1 Al2 C24 98.28(16) . . . . ?
N2 Al1 Al2 C23 110.34(9) . . . . ?
C22 Al1 Al2 C23 -140.44(10) . . . . ?
C21 Al1 Al2 C23 -1.64(10) . . . . ?
N1 Al1 Al2 C23 -92.24(16) . . . . ?
N2 Al1 Al2 N4 -154.89(7) . . . . ?
C22 Al1 Al2 N4 -45.66(8) . . . . ?
C21 Al1 Al2 N4 93.14(8) . . . . ?
N1 Al1 Al2 N4 2.54(15) . . . . ?
N2 Al1 N1 C2 -86.34(13) . . . . ?
C22 Al1 N1 C2 157.89(13) . . . . ?
C21 Al1 N1 C2 29.84(15) . . . . ?
Al2 Al1 N1 C2 114.74(16) . . . . ?
N2 Al1 N1 C1 148.73(15) . . . . ?
C22 Al1 N1 C1 32.96(16) . . . . ?
C21 Al1 N1 C1 -95.09(15) . . . . ?
Al2 Al1 N1 C1 -10.2(2) . . . . ?
N2 Al1 N1 C3 30.95(11) . . . . ?
C22 Al1 N1 C3 -84.82(12) . . . . ?
C21 Al1 N1 C3 147.13(12) . . . . ?
Al2 Al1 N1 C3 -127.97(13) . . . . ?
C22 Al1 N2 C5 -93.69(17) . . . . ?
C21 Al1 N2 C5 55.77(18) . . . . ?
N1 Al1 N2 C5 162.45(16) . . . . ?
Al2 Al1 N2 C5 -24.64(17) . . . . ?
C22 Al1 N2 C4 95.06(14) . . . . ?
C21 Al1 N2 C4 -115.47(14) . . . . ?
N1 Al1 N2 C4 -8.79(13) . . . . ?
Al2 Al1 N2 C4 164.11(11) . . . . ?
C24 Al2 N3 C16 -53.27(18) . . . . ?
C23 Al2 N3 C16 88.09(17) . . . . ?
N4 Al2 N3 C16 -162.64(15) . . . . ?
Al1 Al2 N3 C16 -158.3(2) . . . . ?
C24 Al2 N3 C17 120.48(14) . . . . ?
C23 Al2 N3 C17 -98.16(15) . . . . ?
N4 Al2 N3 C17 11.11(14) . . . . ?
Al1 Al2 N3 C17 15.40(10) . . . . ?
N3 Al2 N4 C20 -150.69(14) . . . . ?
C24 Al2 N4 C20 92.70(15) . . . . ?
C23 Al2 N4 C20 -36.08(16) . . . . ?
Al1 Al2 N4 C20 -152.89(15) . . . . ?
N3 Al2 N4 C19 84.14(14) . . . . ?
C24 Al2 N4 C19 -32.46(16) . . . . ?
C23 Al2 N4 C19 -161.25(14) . . . . ?
Al1 Al2 N4 C19 81.95(13) . . . . ?
N3 Al2 N4 C18 -32.78(11) . . . . ?
C24 Al2 N4 C18 -149.39(12) . . . . ?
C23 Al2 N4 C18 81.83(13) . . . . ?
Al1 Al2 N4 C18 -34.98(9) . . . . ?
C2 N1 C3 C4 71.20(19) . . . . ?
C1 N1 C3 C4 -168.97(16) . . . . ?
Al1 N1 C3 C4 -47.21(16) . . . . ?
C5 N2 C4 C3 171.13(14) . . . . ?
Al1 N2 C4 C3 -16.10(18) . . . . ?
N1 C3 C4 N2 43.8(2) . . . . ?
C4 N2 C5 C10 -171.27(16) . . . . ?
Al1 N2 C5 C10 17.6(3) . . . . ?
C4 N2 C5 C6 7.1(2) . . . . ?
Al1 N2 C5 C6 -164.10(14) . . . . ?
N2 C5 C6 C7 -177.85(17) . . . . ?
C10 C5 C6 C7 0.6(2) . . . . ?
C5 C6 C7 C8 0.5(3) . . . . ?
C6 C7 C8 C9 -0.5(3) . . . . ?
C7 C8 C9 C10 -0.7(3) . . . . ?
C7 C8 C9 C12 178.06(19) . . . . ?
C11 O1 C10 C9 -0.30(18) . . . . ?
C11 O1 C10 C5 177.53(16) . . . . ?
C8 C9 C10 O1 179.79(15) . . . . ?
C12 C9 C10 O1 0.7(2) . . . . ?
C8 C9 C10 C5 2.0(3) . . . . ?
C12 C9 C10 C5 -177.10(16) . . . . ?
N2 C5 C10 O1 -0.9(3) . . . . ?
C6 C5 C10 O1 -179.39(15) . . . . ?
N2 C5 C10 C9 176.66(16) . . . . ?
C6 C5 C10 C9 -1.8(2) . . . . ?
C10 O1 C11 C16 -179.20(16) . . . . ?
C10 O1 C11 C12 -0.28(18) . . . . ?
C16 C11 C12 C13 0.2(3) . . . . ?
O1 C11 C12 C13 -178.75(16) . . . . ?
C16 C11 C12 C9 179.68(16) . . . . ?
O1 C11 C12 C9 0.72(19) . . . . ?
C10 C9 C12 C13 178.51(19) . . . . ?
C8 C9 C12 C13 -0.4(4) . . . . ?
C10 C9 C12 C11 -0.87(19) . . . . ?
C8 C9 C12 C11 -179.75(19) . . . . ?
C11 C12 C13 C14 0.7(3) . . . . ?
C9 C12 C13 C14 -178.60(19) . . . . ?
C12 C13 C14 C15 -1.3(3) . . . . ?
C13 C14 C15 C16 1.0(3) . . . . ?
C17 N3 C16 C11 -7.3(3) . . . . ?
Al2 N3 C16 C11 166.17(14) . . . . ?
C17 N3 C16 C15 172.38(16) . . . . ?
Al2 N3 C16 C15 -14.2(2) . . . . ?
C12 C11 C16 N3 179.17(17) . . . . ?
O1 C11 C16 N3 -2.0(3) . . . . ?
C12 C11 C16 C15 -0.5(2) . . . . ?
O1 C11 C16 C15 178.28(16) . . . . ?
C14 C15 C16 N3 -179.80(17) . . . . ?
C14 C15 C16 C11 -0.1(3) . . . . ?
C16 N3 C17 C18 -171.65(16) . . . . ?
Al2 N3 C17 C18 14.1(2) . . . . ?
C20 N4 C18 C17 171.14(17) . . . . ?
C19 N4 C18 C17 -68.75(19) . . . . ?
Al2 N4 C18 C17 48.66(17) . . . . ?
N3 C17 C18 N4 -43.2(2) . . . . ?
