#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:43:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179259 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/79/4317933.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_4317933
loop_
_publ_author_name
'N. Dastagiri Reddy'
'Herbert W. Roesky'
'Mathias Noltemeyer'
'Hans-Georg Schmidt'
_publ_section_title
;
 Reactions of AlH3.NMe3 with Nitriles: Structural Characterization and
 Substitution Reactions of Hexameric Aluminum Imides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2374
_journal_page_last               2378
_journal_paper_doi               10.1021/ic011101g
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C97 H80 Al6 N6'
_chemical_formula_weight         1491.55
_chemical_melting_point          293
_chemical_name_systematic
;
  Compound 5
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 105.88(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.842(5)
_cell_length_b                   15.443(3)
_cell_length_c                   20.699(4)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     7945(3)
_computing_cell_refinement       DIF4
_computing_data_collection       DIF4
_computing_data_reduction        REDU4
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'STOE AED2'
_diffrn_measurement_method       'profile fit'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8878
_diffrn_reflns_theta_full        27.73
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  '90 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  0.9240
_exptl_absorpt_correction_T_min  0.8778
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            none
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3128
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.60
_refine_diff_density_max         0.891
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8878
_refine_ls_number_restraints     501
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0978
_refine_ls_R_factor_gt           0.0896
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0002P)²+77.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1964
_refine_ls_wR_factor_ref         0.2019
_reflns_number_gt                8102
_reflns_number_total             8878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011101g_4.cif
_cod_data_source_block           ready
_cod_database_code               4317933
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.18071(4) 0.66738(7) 0.46742(5) 0.0149(2) Uani 1 1 d U . .
N1 N 0.22775(11) 0.67494(18) 0.41237(13) 0.0146(5) Uani 1 1 d U . .
Al2 Al 0.28524(4) 0.62876(6) 0.48764(5) 0.0146(2) Uani 1 1 d U . .
N2 N 0.23946(11) 0.62910(18) 0.54483(13) 0.0152(5) Uani 1 1 d U . .
Al3 Al 0.22749(4) 0.72991(7) 0.59046(5) 0.0145(2) Uani 1 1 d U . .
N3 N 0.17259(10) 0.77113(18) 0.51083(13) 0.0149(5) Uani 1 1 d U . .
C11 C 0.11949(14) 0.5926(2) 0.44321(18) 0.0209(7) Uani 1 1 d U . .
C12 C 0.07927(14) 0.5507(2) 0.42408(17) 0.0197(7) Uani 1 1 d U . .
C13 C 0.03033(14) 0.5014(2) 0.39964(19) 0.0225(7) Uani 1 1 d U . .
C14 C 0.02686(16) 0.4351(3) 0.3533(2) 0.0309(9) Uani 1 1 d U . .
H14A H 0.0569 0.4216 0.3371 0.037 Uiso 1 1 calc R . .
C15 C -0.02075(18) 0.3885(3) 0.3307(2) 0.0381(10) Uani 1 1 d U . .
H15A H -0.0231 0.3435 0.2987 0.046 Uiso 1 1 calc R . .
C16 C -0.06438(17) 0.4071(3) 0.3542(2) 0.0379(10) Uani 1 1 d U . .
H16A H -0.0965 0.3743 0.3391 0.046 Uiso 1 1 calc R . .
C17 C -0.06135(17) 0.4732(3) 0.3996(2) 0.0373(10) Uani 1 1 d U . .
H17A H -0.0915 0.4861 0.4158 0.045 Uiso 1 1 calc R . .
C18 C -0.01432(15) 0.5215(3) 0.4220(2) 0.0292(8) Uani 1 1 d U . .
H18A H -0.0127 0.5681 0.4525 0.035 Uiso 1 1 calc R . .
C21 C 0.31390(13) 0.5197(2) 0.47120(17) 0.0198(7) Uani 1 1 d U . .
C22 C 0.33108(14) 0.4496(2) 0.46147(19) 0.0224(7) Uani 1 1 d U . .
C23 C 0.35163(16) 0.3656(3) 0.4516(2) 0.0300(8) Uani 1 1 d U . .
C24 C 0.4036(2) 0.3446(4) 0.4836(6) 0.120(4) Uani 1 1 d U . .
H24A H 0.4266 0.3855 0.5118 0.144 Uiso 1 1 calc R . .
C25 C 0.4222(3) 0.2627(5) 0.4743(7) 0.160(5) Uani 1 1 d U . .
H25A H 0.4584 0.2479 0.4966 0.192 Uiso 1 1 calc R . .
C26 C 0.3903(2) 0.2028(4) 0.4344(5) 0.089(3) Uani 1 1 d U . .
H26A H 0.4038 0.1468 0.4292 0.107 Uiso 1 1 calc R . .
C27 C 0.3398(2) 0.2237(3) 0.4026(3) 0.0441(11) Uani 1 1 d U . .
H27A H 0.3169 0.1824 0.3747 0.053 Uiso 1 1 calc R . .
C28 C 0.3205(2) 0.3052(3) 0.4101(2) 0.0356(10) Uani 1 1 d U . .
H28A H 0.2848 0.3199 0.3859 0.043 Uiso 1 1 calc R . .
C31 C 0.20383(14) 0.7236(2) 0.67014(17) 0.0194(7) Uani 1 1 d U . .
C32 C 0.19543(13) 0.7245(2) 0.72488(17) 0.0185(6) Uani 1 1 d U . .
C33 C 0.18813(14) 0.7226(2) 0.79111(17) 0.0206(7) Uani 1 1 d U . .
C34 C 0.17557(17) 0.6453(3) 0.8179(2) 0.0291(8) Uani 1 1 d U . .
H34A H 0.1704 0.5941 0.7914 0.035 Uiso 1 1 calc R . .
C35 C 0.1706(2) 0.6421(3) 0.8826(2) 0.0403(11) Uani 1 1 d U . .
H35A H 0.1619 0.5890 0.9004 0.048 Uiso 1 1 calc R . .
C36 C 0.1783(2) 0.7165(3) 0.9217(2) 0.0458(12) Uani 1 1 d U . .
H36A H 0.1756 0.7142 0.9665 0.055 Uiso 1 1 calc R . .
C37 C 0.1900(2) 0.7949(3) 0.8951(2) 0.0411(11) Uani 1 1 d U . .
H37A H 0.1943 0.8462 0.9213 0.049 Uiso 1 1 calc R . .
C38 C 0.19520(16) 0.7974(3) 0.83053(19) 0.0263(8) Uani 1 1 d U . .
H38A H 0.2037 0.8506 0.8127 0.032 Uiso 1 1 calc R . .
C41 C 0.23374(14) 0.5439(2) 0.57791(18) 0.0197(7) Uani 1 1 d U . .
H41A H 0.2392 0.4962 0.5485 0.024 Uiso 1 1 calc R . .
H41B H 0.1966 0.5392 0.5821 0.024 Uiso 1 1 calc R . .
C42 C 0.27274(15) 0.5327(2) 0.64661(18) 0.0204(7) Uani 1 1 d U . .
C43 C 0.25470(16) 0.5270(2) 0.70358(19) 0.0255(8) Uani 1 1 d U . .
H43A H 0.2171 0.5292 0.6991 0.031 Uiso 1 1 calc R . .
C44 C 0.29028(19) 0.5183(3) 0.7672(2) 0.0325(9) Uani 1 1 d U . .
H44A H 0.2772 0.5161 0.8059 0.039 Uiso 1 1 calc R . .
C45 C 0.34507(19) 0.5127(3) 0.7735(2) 0.0345(10) Uani 1 1 d U . .
H45A H 0.3698 0.5062 0.8166 0.041 Uiso 1 1 calc R . .
C46 C 0.36329(17) 0.5167(3) 0.7171(2) 0.0314(9) Uani 1 1 d U . .
H46A H 0.4008 0.5122 0.7216 0.038 Uiso 1 1 calc R . .
C47 C 0.32787(15) 0.5272(2) 0.65384(19) 0.0242(7) Uani 1 1 d U . .
H47A H 0.3412 0.5306 0.6154 0.029 Uiso 1 1 calc R . .
C61 C 0.11741(13) 0.7877(2) 0.51941(17) 0.0205(7) Uani 1 1 d U . .
H61A H 0.1212 0.8217 0.5610 0.025 Uiso 1 1 calc R . .
H61B H 0.1008 0.7315 0.5251 0.025 Uiso 1 1 calc R . .
C62 C 0.08013(13) 0.8356(2) 0.46131(18) 0.0203(7) Uani 1 1 d U . .
C63 C 0.07744(17) 0.8198(3) 0.3951(2) 0.0332(9) Uani 1 1 d U . .
H63A H 0.1005 0.7774 0.3846 0.040 Uiso 1 1 calc R . .
C64 C 0.04183(17) 0.8642(3) 0.3431(2) 0.0321(9) Uani 1 1 d U . .
H64A H 0.0408 0.8520 0.2978 0.038 Uiso 1 1 calc R . .
C65 C 0.0088(2) 0.9245(4) 0.3570(2) 0.0510(14) Uani 1 1 d U . .
H65A H -0.0163 0.9540 0.3217 0.061 Uiso 1 1 calc R . .
C66 C 0.0118(4) 0.9426(6) 0.4220(3) 0.116(4) Uani 1 1 d U . .
H66A H -0.0106 0.9865 0.4321 0.139 Uiso 1 1 calc R . .
C67 C 0.0468(3) 0.8983(5) 0.4737(3) 0.085(3) Uani 1 1 d U . .
H67A H 0.0478 0.9117 0.5188 0.102 Uiso 1 1 calc R . .
C71 C 0.21107(13) 0.6225(2) 0.34849(16) 0.0177(6) Uani 1 1 d U . .
H71A H 0.2399 0.6261 0.3254 0.021 Uiso 1 1 calc R . .
H71B H 0.2077 0.5611 0.3603 0.021 Uiso 1 1 calc R . .
C72 C 0.15882(14) 0.6513(2) 0.30043(16) 0.0184(7) Uani 1 1 d U . .
C73 C 0.11690(14) 0.5922(3) 0.28065(18) 0.0234(7) Uani 1 1 d U . .
H73A H 0.1216 0.5347 0.2977 0.028 Uiso 1 1 calc R . .
C74 C 0.06818(15) 0.6159(3) 0.2364(2) 0.0297(9) Uani 1 1 d U . .
H74A H 0.0395 0.5754 0.2241 0.036 Uiso 1 1 calc R . .
C75 C 0.06169(16) 0.6991(3) 0.2101(2) 0.0324(9) Uani 1 1 d U . .
H75A H 0.0287 0.7154 0.1791 0.039 Uiso 1 1 calc R . .
C76 C 0.10327(17) 0.7582(3) 0.2289(2) 0.0314(9) Uani 1 1 d U . .
H76A H 0.0986 0.8153 0.2112 0.038 Uiso 1 1 calc R . .
C77 C 0.15177(15) 0.7346(2) 0.27363(18) 0.0246(8) Uani 1 1 d U . .
H77A H 0.1803 0.7754 0.2860 0.029 Uiso 1 1 calc R . .
C1 C -0.0216(3) 0.1740(5) 0.3495(3) 0.044(3) Uani 0.50 1 d PGU A -1
H1A H -0.0317 0.1780 0.3907 0.053 Uiso 0.50 1 d PG A -1
C2 C -0.0609(2) 0.1642(6) 0.2889(4) 0.061(3) Uani 0.50 1 d PGU A -1
H2A H -0.0981 0.1616 0.2882 0.073 Uiso 0.50 1 d PG A -1
C3 C -0.0462(3) 0.1584(5) 0.2292(3) 0.058(3) Uani 0.50 1 d PGU A -1
H3A H -0.0734 0.1517 0.1873 0.070 Uiso 0.50 1 d PG A -1
C4 C 0.0077(3) 0.1623(4) 0.2302(3) 0.049(2) Uani 0.50 1 d PGU A -1
C5 C 0.0470(2) 0.1720(5) 0.2909(3) 0.045(3) Uani 0.50 1 d PGU A -1
H5A H 0.0843 0.1747 0.2916 0.054 Uiso 0.50 1 d PG A -1
C6 C 0.0324(3) 0.1779(6) 0.3505(3) 0.047(2) Uani 0.50 1 d PGU A -1
H6A H 0.0595 0.1846 0.3924 0.057 Uiso 0.50 1 d PG A -1
C7 C 0.0246(5) 0.1487(7) 0.1715(3) 0.080(5) Uani 0.50 1 d PGU A -1
H7A H 0.0630 0.1540 0.1820 0.119 Uiso 0.50 1 d PG A -1
H7B H 0.0140 0.0918 0.1541 0.119 Uiso 0.50 1 d PG A -1
H7C H 0.0081 0.1912 0.1383 0.119 Uiso 0.50 1 d PG A -1
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_
_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
N3 Al1 N1 114.33(13) . . ?
N3 Al1 C11 116.65(15) . . ?
N1 Al1 C11 120.24(15) . . ?
N3 Al1 N2 91.66(12) . . ?
N1 Al1 N2 91.67(12) . . ?
C11 Al1 N2 115.45(14) . . ?
N3 Al1 Al3 47.03(9) . . ?
N1 Al1 Al3 110.74(9) . . ?
C11 Al1 Al3 126.31(12) . . ?
N2 Al1 Al3 44.76(9) . . ?
N3 Al1 Al2 110.76(9) . . ?
N1 Al1 Al2 47.13(9) . . ?
C11 Al1 Al2 129.18(12) . . ?
N2 Al1 Al2 44.67(9) . . ?
Al3 Al1 Al2 76.06(5) . . ?
C71 N1 Al3 115.0(2) . 7_566 ?
C71 N1 Al1 114.8(2) . . ?
Al3 N1 Al1 124.85(15) 7_566 . ?
C71 N1 Al2 118.2(2) . . ?
Al3 N1 Al2 88.30(12) 7_566 . ?
Al1 N1 Al2 88.34(12) . . ?
N3 Al2 N2 116.43(13) 7_566 . ?
N3 Al2 C21 118.43(14) 7_566 . ?
N2 Al2 C21 117.03(15) . . ?
N3 Al2 N1 91.36(12) 7_566 . ?
N2 Al2 N1 91.63(12) . . ?
C21 Al2 N1 115.11(14) . . ?
N3 Al2 Al3 47.03(9) 7_566 7_566 ?
N2 Al2 Al3 112.39(10) . 7_566 ?
C21 Al2 Al3 126.92(12) . 7_566 ?
N1 Al2 Al3 44.50(9) . 7_566 ?
N3 Al2 Al1 111.86(10) 7_566 . ?
N2 Al2 Al1 47.24(9) . . ?
C21 Al2 Al1 126.26(11) . . ?
N1 Al2 Al1 44.53(9) . . ?
Al3 Al2 Al1 76.88(4) 7_566 . ?
C41 N2 Al2 116.0(2) . . ?
C41 N2 Al3 116.2(2) . . ?
Al2 N2 Al3 122.12(16) . . ?
C41 N2 Al1 118.7(2) . . ?
Al2 N2 Al1 88.09(12) . . ?
Al3 N2 Al1 87.95(12) . . ?
N1 Al3 N2 116.23(13) 7_566 . ?
N1 Al3 C31 114.30(14) 7_566 . ?
N2 Al3 C31 121.57(15) . . ?
N1 Al3 N3 91.71(12) 7_566 . ?
N2 Al3 N3 91.55(12) . . ?
C31 Al3 N3 114.36(14) . . ?
N1 Al3 Al2 47.20(9) 7_566 7_566 ?
N2 Al3 Al2 112.27(10) . 7_566 ?
C31 Al3 Al2 123.10(12) . 7_566 ?
N3 Al3 Al2 44.68(9) . 7_566 ?
N1 Al3 Al1 111.90(10) 7_566 . ?
N2 Al3 Al1 47.30(9) . . ?
C31 Al3 Al1 129.27(11) . . ?
N3 Al3 Al1 44.38(9) . . ?
Al2 Al3 Al1 76.80(4) 7_566 . ?
C61 N3 Al1 115.8(2) . . ?
C61 N3 Al2 114.8(2) . 7_566 ?
Al1 N3 Al2 124.61(15) . 7_566 ?
C61 N3 Al3 116.5(2) . . ?
Al1 N3 Al3 88.59(12) . . ?
Al2 N3 Al3 88.29(12) 7_566 . ?
C12 C11 Al1 174.6(3) . . ?
C11 C12 C13 178.7(4) . . ?
C14 C13 C18 119.5(3) . . ?
C14 C13 C12 121.0(4) . . ?
C18 C13 C12 119.5(3) . . ?
C13 C14 C15 119.8(4) . . ?
C16 C15 C14 120.6(4) . . ?
C15 C16 C17 119.8(4) . . ?
C16 C17 C18 120.4(4) . . ?
C13 C18 C17 119.8(4) . . ?
C22 C21 Al2 178.3(3) . . ?
C21 C22 C23 178.6(4) . . ?
C24 C23 C28 118.3(4) . . ?
C24 C23 C22 119.9(4) . . ?
C28 C23 C22 121.8(4) . . ?
C23 C24 C25 118.8(6) . . ?
C26 C25 C24 122.0(6) . . ?
C27 C26 C25 119.0(5) . . ?
C26 C27 C28 120.1(5) . . ?
C23 C28 C27 121.7(5) . . ?
C32 C31 Al3 171.2(3) . . ?
C31 C32 C33 176.7(4) . . ?
C34 C33 C38 118.9(3) . . ?
C34 C33 C32 120.3(3) . . ?
C38 C33 C32 120.7(3) . . ?
C35 C34 C33 120.8(4) . . ?
C34 C35 C36 119.9(4) . . ?
C35 C36 C37 120.0(4) . . ?
C38 C37 C36 119.7(4) . . ?
C37 C38 C33 120.7(4) . . ?
N2 C41 C42 113.8(3) . . ?
C43 C42 C47 118.5(3) . . ?
C43 C42 C41 121.0(3) . . ?
C47 C42 C41 120.5(3) . . ?
C42 C43 C44 121.6(4) . . ?
C45 C44 C43 119.2(4) . . ?
C46 C45 C44 119.7(4) . . ?
C45 C46 C47 121.1(4) . . ?
C46 C47 C42 120.0(4) . . ?
N3 C61 C62 114.0(3) . . ?
C67 C62 C63 116.8(4) . . ?
C67 C62 C61 119.6(4) . . ?
C63 C62 C61 123.5(3) . . ?
C62 C63 C64 121.7(4) . . ?
C65 C64 C63 120.0(4) . . ?
C64 C65 C66 119.1(4) . . ?
C65 C66 C67 121.0(5) . . ?
C62 C67 C66 121.2(5) . . ?
C72 C71 N1 114.2(3) . . ?
C73 C72 C77 118.9(3) . . ?
C73 C72 C71 119.1(3) . . ?
C77 C72 C71 122.0(3) . . ?
C74 C73 C72 121.0(4) . . ?
C75 C74 C73 119.6(4) . . ?
C76 C75 C74 120.0(4) . . ?
C75 C76 C77 120.3(4) . . ?
C76 C77 C72 120.3(4) . . ?
C2 C1 C6 120.0 . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 C7 118.2 . . ?
C3 C4 C7 121.6 . . ?
C4 C5 C6 120.0 . . ?
C1 C6 C5 120.0 . . ?
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 N3 1.876(3) . ?
Al1 N1 1.884(3) . ?
Al1 C11 1.912(4) . ?
Al1 N2 1.972(3) . ?
Al1 Al3 2.6823(15) . ?
Al1 Al2 2.6851(15) . ?
N1 C71 1.509(4) . ?
N1 Al3 1.881(3) 7_566 ?
N1 Al2 1.969(3) . ?
Al2 N3 1.887(3) 7_566 ?
Al2 N2 1.889(3) . ?
Al2 C21 1.908(4) . ?
Al2 Al3 2.6822(15) 7_566 ?
N2 C41 1.509(4) . ?
N2 Al3 1.890(3) . ?
Al3 N1 1.881(3) 7_566 ?
Al3 C31 1.912(4) . ?
Al3 N3 1.963(3) . ?
Al3 Al2 2.6821(15) 7_566 ?
N3 C61 1.506(4) . ?
N3 Al2 1.887(3) 7_566 ?
C11 C12 1.196(5) . ?
C12 C13 1.444(5) . ?
C13 C14 1.389(6) . ?
C13 C18 1.391(6) . ?
C14 C15 1.391(5) . ?
C15 C16 1.375(7) . ?
C16 C17 1.376(7) . ?
C17 C18 1.392(5) . ?
C21 C22 1.208(5) . ?
C22 C23 1.437(5) . ?
C23 C24 1.364(7) . ?
C23 C28 1.369(6) . ?
C24 C25 1.386(8) . ?
C25 C26 1.359(10) . ?
C26 C27 1.331(8) . ?
C27 C28 1.378(6) . ?
C31 C32 1.211(5) . ?
C32 C33 1.434(5) . ?
C33 C34 1.392(5) . ?
C33 C38 1.398(5) . ?
C34 C35 1.381(6) . ?
C35 C36 1.388(6) . ?
C36 C37 1.396(7) . ?
C37 C38 1.380(6) . ?
C41 C42 1.511(5) . ?
C42 C43 1.384(5) . ?
C42 C47 1.394(5) . ?
C43 C44 1.392(5) . ?
C44 C45 1.389(7) . ?
C45 C46 1.374(6) . ?
C46 C47 1.387(5) . ?
C61 C62 1.513(5) . ?
C62 C67 1.365(6) . ?
C62 C63 1.375(5) . ?
C63 C64 1.390(5) . ?
C64 C65 1.346(6) . ?
C65 C66 1.355(8) . ?
C66 C67 1.380(7) . ?
C71 C72 1.508(4) . ?
C72 C73 1.389(5) . ?
C72 C77 1.394(5) . ?
C73 C74 1.389(5) . ?
C74 C75 1.387(6) . ?
C75 C76 1.382(6) . ?
C76 C77 1.388(5) . ?
C1 C2 1.3899 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3901 . ?
C4 C5 1.3899 . ?
C4 C7 1.4147 . ?
C5 C6 1.3902 . ?
