#------------------------------------------------------------------------------
#$Date: 2022-04-08 01:54:47 +0300 (Fri, 08 Apr 2022) $
#$Revision: 274419 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/99/7709941.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_7709941
loop_
_publ_author_name
'Schumann, Erik'
'Böhme, Uwe'
'Brendler, Erica'
'Mertens, Florian'
_publ_section_title
;
 Synthesis and temperature-dependent NMR studies of monomeric and dimeric
 tris(dialkylamido)alanes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00508E
_journal_year                    2022
_chemical_formula_moiety         'C30 H66 Al2 N12'
_chemical_formula_sum            'C30 H66 Al2 N12'
_chemical_formula_weight         648.90
_chemical_melting_point          452
_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_Hall           '-P 4bc'
_space_group_name_H-M_alt        'P 42/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-07-20 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.3937(5)
_cell_length_b                   15.3937(5)
_cell_length_c                   16.7614(5)
_cell_measurement_reflns_used    1627
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.24
_cell_volume                     3971.9(2)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      153
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      ' 243 frames, detector distance = 114 mm'
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0136
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            51858
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.912
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_source_current           40
_diffrn_source_power             2.000
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_T_max  0.8483
_exptl_absorpt_correction_T_min  0.2999
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED; Stoe, 2009'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.085
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         4556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0448P)²+1.3866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0963
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3931
_reflns_number_total             4556
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00508e2.cif
_cod_data_source_block           ES107sq_1
_cod_original_cell_volume        3971.9(3)
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_database_code               7709941
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.953
_shelx_estimated_absorpt_t_max   0.979
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -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
Al1 Al 0.65890(2) 0.26677(2) 0.62782(2) 0.01752(9) Uani 1 1 d . . . . .
N1 N 0.73311(6) 0.16277(6) 0.62128(5) 0.01868(19) Uani 1 1 d . . . . .
N2 N 0.64122(7) -0.00394(7) 0.60788(7) 0.0300(2) Uani 1 1 d . . . . .
C1 C 0.73426(7) 0.09403(7) 0.68432(7) 0.0216(2) Uani 1 1 d . . . . .
H1A H 0.741270 0.121851 0.737177 0.026 Uiso 1 1 calc R U . . .
H1B H 0.784874 0.055536 0.675509 0.026 Uiso 1 1 calc R U . . .
C2 C 0.65176(8) 0.03958(8) 0.68450(8) 0.0279(3) Uani 1 1 d . . . . .
H2A H 0.654895 -0.004227 0.727645 0.033 Uiso 1 1 calc R U . . .
H2B H 0.600949 0.077382 0.694806 0.033 Uiso 1 1 calc R U . . .
C3 C 0.63665(8) 0.06104(8) 0.54481(8) 0.0279(3) Uani 1 1 d . . . . .
H3A H 0.585343 0.098658 0.553436 0.034 Uiso 1 1 calc R U . . .
H3B H 0.629804 0.031770 0.492597 0.034 Uiso 1 1 calc R U . . .
C4 C 0.71852(7) 0.11650(8) 0.54384(7) 0.0224(2) Uani 1 1 d . . . . .
H4A H 0.769223 0.078955 0.532399 0.027 Uiso 1 1 calc R U . . .
H4B H 0.713982 0.159840 0.500408 0.027 Uiso 1 1 calc R U . . .
C5 C 0.56340(11) -0.05840(10) 0.60763(11) 0.0458(4) Uani 1 1 d . . . . .
H5A H 0.567747 -0.101857 0.650170 0.069 Uiso 1 1 calc R U . . .
H5B H 0.558256 -0.087781 0.555974 0.069 Uiso 1 1 calc R U . . .
H5C H 0.512034 -0.022073 0.616573 0.069 Uiso 1 1 calc R U . . .
N3 N 0.58531(6) 0.28171(6) 0.54468(6) 0.0214(2) Uani 1 1 d . . . . .
N4 N 0.45576(7) 0.35177(7) 0.43666(6) 0.0271(2) Uani 1 1 d . . . . .
C6 C 0.60099(7) 0.29057(8) 0.45938(7) 0.0249(2) Uani 1 1 d . . . . .
H6A H 0.584859 0.235844 0.432124 0.030 Uiso 1 1 calc R U . . .
H6B H 0.663644 0.300956 0.450047 0.030 Uiso 1 1 calc R U . . .
C7 C 0.54865(8) 0.36541(9) 0.42414(7) 0.0276(3) Uani 1 1 d . . . . .
H7A H 0.566550 0.420594 0.449635 0.033 Uiso 1 1 calc R U . . .
H7B H 0.560669 0.369950 0.366270 0.033 Uiso 1 1 calc R U . . .
C8 C 0.43779(8) 0.34063(8) 0.52161(8) 0.0279(3) Uani 1 1 d . . . . .
H8A H 0.375322 0.327914 0.529369 0.033 Uiso 1 1 calc R U . . .
H8B H 0.451537 0.395087 0.550388 0.033 Uiso 1 1 calc R U . . .
C9 C 0.49202(7) 0.26653(8) 0.55550(7) 0.0236(2) Uani 1 1 d . . . . .
H9A H 0.479328 0.260149 0.613107 0.028 Uiso 1 1 calc R U . . .
H9B H 0.475604 0.211638 0.528674 0.028 Uiso 1 1 calc R U . . .
C10 C 0.40608(9) 0.42430(10) 0.40367(9) 0.0374(3) Uani 1 1 d . . . . .
H10A H 0.423456 0.478293 0.430222 0.056 Uiso 1 1 calc R U . . .
H10B H 0.343943 0.414206 0.412358 0.056 Uiso 1 1 calc R U . . .
H10C H 0.417557 0.429015 0.346327 0.056 Uiso 1 1 calc R U . . .
N5 N 0.60333(6) 0.28788(6) 0.72097(5) 0.0213(2) Uani 1 1 d . . . . .
N6 N 0.47619(7) 0.31450(7) 0.84631(6) 0.0251(2) Uani 1 1 d . . . . .
C11 C 0.55234(8) 0.36810(8) 0.72790(7) 0.0268(2) Uani 1 1 d . . . . .
H11A H 0.543053 0.392778 0.674024 0.032 Uiso 1 1 calc R U . . .
H11B H 0.585577 0.411058 0.759527 0.032 Uiso 1 1 calc R U . . .
C12 C 0.46455(8) 0.35288(8) 0.76747(8) 0.0291(3) Uani 1 1 d . . . . .
H12A H 0.433222 0.408780 0.772474 0.035 Uiso 1 1 calc R U . . .
H12B H 0.429116 0.313576 0.733899 0.035 Uiso 1 1 calc R U . . .
C13 C 0.52593(8) 0.23405(8) 0.83962(7) 0.0253(2) Uani 1 1 d . . . . .
H13A H 0.492779 0.191369 0.807600 0.030 Uiso 1 1 calc R U . . .
H13B H 0.535166 0.209118 0.893403 0.030 Uiso 1 1 calc R U . . .
C14 C 0.61352(8) 0.25098(8) 0.80017(7) 0.0237(2) Uani 1 1 d . . . . .
H14A H 0.647657 0.291429 0.833724 0.028 Uiso 1 1 calc R U . . .
H14B H 0.646161 0.195732 0.796278 0.028 Uiso 1 1 calc R U . . .
C15 C 0.39277(9) 0.29907(11) 0.88497(9) 0.0391(3) Uani 1 1 d . . . . .
H15A H 0.360585 0.353844 0.888681 0.059 Uiso 1 1 calc R U . . .
H15B H 0.402490 0.275807 0.938663 0.059 Uiso 1 1 calc R U . . .
H15C H 0.359174 0.257179 0.853571 0.059 Uiso 1 1 calc R U . . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
30 -3 -7 5.1646
11 -15 -10 0.6909
-11 30 6 1.2134
-13 4 30 1.2335
1 1 -30 1.9327
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
N5 Al1 N3 110.21(5) . . ?
N5 Al1 N1 117.91(4) . . ?
N3 Al1 N1 115.04(4) . . ?
N5 Al1 N1 110.17(4) . 2_655 ?
N3 Al1 N1 114.29(4) . 2_655 ?
N1 Al1 N1 87.44(4) . 2_655 ?
N5 Al1 Al1 119.83(3) . 2_655 ?
N3 Al1 Al1 129.66(3) . 2_655 ?
N1 Al1 Al1 44.15(3) . 2_655 ?
N1 Al1 Al1 43.64(3) 2_655 2_655 ?
C1 N1 C4 106.11(8) . . ?
C1 N1 Al1 122.86(7) . . ?
C4 N1 Al1 110.36(7) . . ?
C1 N1 Al1 109.71(7) . 2_655 ?
C4 N1 Al1 115.64(7) . 2_655 ?
Al1 N1 Al1 92.21(4) . 2_655 ?
C3 N2 C2 109.21(10) . . ?
C3 N2 C5 110.61(12) . . ?
C2 N2 C5 110.93(11) . . ?
N1 C1 C2 112.42(9) . . ?
N1 C1 H1A 109.1 . . ?
C2 C1 H1A 109.1 . . ?
N1 C1 H1B 109.1 . . ?
C2 C1 H1B 109.1 . . ?
H1A C1 H1B 107.9 . . ?
N2 C2 C1 110.14(10) . . ?
N2 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 . . ?
N2 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
N2 C3 C4 110.66(10) . . ?
N2 C3 H3A 109.5 . . ?
C4 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
N1 C4 C3 112.44(9) . . ?
N1 C4 H4A 109.1 . . ?
C3 C4 H4A 109.1 . . ?
N1 C4 H4B 109.1 . . ?
C3 C4 H4B 109.1 . . ?
H4A C4 H4B 107.8 . . ?
N2 C5 H5A 109.5 . . ?
N2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C6 N3 C9 107.38(9) . . ?
C6 N3 Al1 131.59(8) . . ?
C9 N3 Al1 119.82(7) . . ?
C7 N4 C8 110.02(9) . . ?
C7 N4 C10 110.36(10) . . ?
C8 N4 C10 111.06(11) . . ?
N3 C6 C7 111.31(10) . . ?
N3 C6 H6A 109.4 . . ?
C7 C6 H6A 109.4 . . ?
N3 C6 H6B 109.4 . . ?
C7 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N4 C7 C6 110.68(10) . . ?
N4 C7 H7A 109.5 . . ?
C6 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
N4 C8 C9 110.35(10) . . ?
N4 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
N4 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
N3 C9 C8 111.79(10) . . ?
N3 C9 H9A 109.3 . . ?
C8 C9 H9A 109.3 . . ?
N3 C9 H9B 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
N4 C10 H10A 109.5 . . ?
N4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14 N5 C11 108.33(9) . . ?
C14 N5 Al1 131.86(8) . . ?
C11 N5 Al1 118.17(7) . . ?
C15 N6 C12 111.13(11) . . ?
C15 N6 C13 110.96(10) . . ?
C12 N6 C13 109.78(9) . . ?
N5 C11 C12 112.29(10) . . ?
N5 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N5 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
N6 C12 C11 110.35(10) . . ?
N6 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
N6 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
N6 C13 C14 110.61(10) . . ?
N6 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
N6 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
N5 C14 C13 111.58(10) . . ?
N5 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N5 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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
Al1 N5 1.8098(10) . ?
Al1 N3 1.8105(10) . ?
Al1 N1 1.9697(10) . ?
Al1 N1 1.9880(10) 2_655 ?
Al1 Al1 2.8519(6) 2_655 ?
N1 C1 1.4955(14) . ?
N1 C4 1.4975(13) . ?
N2 C3 1.4571(17) . ?
N2 C2 1.4575(16) . ?
N2 C5 1.4622(17) . ?
C1 C2 1.5216(16) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.5222(16) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
N3 C6 1.4564(14) . ?
N3 C9 1.4662(14) . ?
N4 C7 1.4604(15) . ?
N4 C8 1.4605(16) . ?
N4 C10 1.4618(16) . ?
C6 C7 1.5249(17) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.5234(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
N5 C14 1.4524(14) . ?
N5 C11 1.4678(14) . ?
N6 C15 1.4579(16) . ?
N6 C12 1.4585(16) . ?
N6 C13 1.4603(15) . ?
C11 C12 1.5237(17) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.5243(16) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
C4 N1 C1 C2 -56.42(11) . . . . ?
Al1 N1 C1 C2 71.73(11) . . . . ?
Al1 N1 C1 C2 178.00(7) 2_655 . . . ?
C3 N2 C2 C1 -59.30(13) . . . . ?
C5 N2 C2 C1 178.53(11) . . . . ?
N1 C1 C2 N2 60.31(13) . . . . ?
C2 N2 C3 C4 58.88(13) . . . . ?
C5 N2 C3 C4 -178.75(11) . . . . ?
C1 N1 C4 C3 55.69(12) . . . . ?
Al1 N1 C4 C3 -79.51(10) . . . . ?
Al1 N1 C4 C3 177.56(8) 2_655 . . . ?
N2 C3 C4 N1 -59.10(13) . . . . ?
N5 Al1 N3 C6 165.38(10) . . . . ?
N1 Al1 N3 C6 -58.35(12) . . . . ?
N1 Al1 N3 C6 40.68(12) 2_655 . . . ?
Al1 Al1 N3 C6 -8.24(13) 2_655 . . . ?
N5 Al1 N3 C9 -28.88(10) . . . . ?
N1 Al1 N3 C9 107.39(9) . . . . ?
N1 Al1 N3 C9 -153.59(8) 2_655 . . . ?
Al1 Al1 N3 C9 157.49(7) 2_655 . . . ?
C9 N3 C6 C7 59.01(12) . . . . ?
Al1 N3 C6 C7 -133.94(10) . . . . ?
C8 N4 C7 C6 56.36(13) . . . . ?
C10 N4 C7 C6 179.25(11) . . . . ?
N3 C6 C7 N4 -59.29(13) . . . . ?
C7 N4 C8 C9 -55.87(13) . . . . ?
C10 N4 C8 C9 -178.36(10) . . . . ?
C6 N3 C9 C8 -59.00(12) . . . . ?
Al1 N3 C9 C8 132.13(9) . . . . ?
N4 C8 C9 N3 58.58(13) . . . . ?
N3 Al1 N5 C14 147.60(10) . . . . ?
N1 Al1 N5 C14 12.74(12) . . . . ?
N1 Al1 N5 C14 -85.36(11) 2_655 . . . ?
Al1 Al1 N5 C14 -38.05(12) 2_655 . . . ?
N3 Al1 N5 C11 -48.91(10) . . . . ?
N1 Al1 N5 C11 176.22(8) . . . . ?
N1 Al1 N5 C11 78.13(9) 2_655 . . . ?
Al1 Al1 N5 C11 125.44(8) 2_655 . . . ?
C14 N5 C11 C12 -56.75(13) . . . . ?
Al1 N5 C11 C12 136.14(9) . . . . ?
C15 N6 C12 C11 -179.73(11) . . . . ?
C13 N6 C12 C11 -56.60(13) . . . . ?
N5 C11 C12 N6 57.45(14) . . . . ?
C15 N6 C13 C14 -179.23(11) . . . . ?
C12 N6 C13 C14 57.54(13) . . . . ?
C11 N5 C14 C13 57.12(12) . . . . ?
Al1 N5 C14 C13 -138.19(9) . . . . ?
N6 C13 C14 N5 -59.05(13) . . . . ?
