#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:28:56 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267144 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/75/7707505.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_7707505
loop_
_publ_author_name
'Dehmel, Maximilian'
'Köhler, Angelina'
'Görls, Helmar'
'Kretschmer, Robert'
_publ_section_title
;
 Synthesis, characterization, and reactivity of group 13 hydride complexes
 based on amido-amine ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8434
_journal_page_last               8445
_journal_paper_doi               10.1039/d1dt01454d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C25 H50 Al N3 Si2'
_chemical_formula_sum            'C25 H50 Al N3 Si2'
_chemical_formula_weight         475.84
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-21 deposited with the CCDC.	2021-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.035(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5020(4)
_cell_length_b                   16.5369(5)
_cell_length_c                   15.0602(5)
_cell_measurement_reflns_used    16571
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.180
_cell_measurement_theta_min      3.763
_cell_volume                     2925.19(18)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16571
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.180
_diffrn_reflns_theta_min         3.763
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) 
Numerical absorption correction based on gaussian integration over 
   a multifaceted crystal model 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.080
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.143
_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.077
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         5699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0432
_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)+(0.0630P)²+0.5891P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4787
_reflns_number_total             5699
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01454d2.cif
_cod_data_source_block           FO6949_8a
_cod_depositor_comments
'Adding full bibliography for 7707498--7707509.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707505
_shelx_shelxl_version_number     2018/3
_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   0.814
_shelx_estimated_absorpt_t_max   0.893
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
Al1 Al 0.27057(4) 0.36906(3) 0.28367(3) 0.01317(13) Uani 1 1 d . . . . .
Si1 Si 0.00501(4) 0.31405(3) 0.20447(3) 0.01756(13) Uani 1 1 d . . . . .
Si2 Si 0.11110(4) 0.41103(3) 0.38210(3) 0.01615(13) Uani 1 1 d . . . . .
N1 N 0.36127(12) 0.28378(9) 0.27747(10) 0.0156(3) Uani 1 1 d . . . . .
N2 N 0.28555(12) 0.41186(9) 0.16045(10) 0.0162(3) Uani 1 1 d . . . . .
N3 N 0.12368(12) 0.35883(9) 0.28497(10) 0.0152(3) Uani 1 1 d . . . . .
C1 C 0.39943(15) 0.28499(11) 0.19593(13) 0.0191(4) Uani 1 1 d . . . . .
H1A H 0.401990 0.229281 0.172657 0.023 Uiso 1 1 calc R U . . .
H1B H 0.476752 0.308546 0.213952 0.023 Uiso 1 1 calc R U . . .
C2 C 0.31561(16) 0.33596(11) 0.11919(13) 0.0201(4) Uani 1 1 d . . . . .
H2A H 0.349671 0.350373 0.070868 0.024 Uiso 1 1 calc R U . . .
H2B H 0.245652 0.304212 0.087912 0.024 Uiso 1 1 calc R U . . .
C3 C 0.42725(14) 0.23295(10) 0.35320(12) 0.0149(3) Uani 1 1 d . . . . .
C4 C 0.39304(14) 0.15210(11) 0.35747(12) 0.0160(4) Uani 1 1 d . . . . .
C5 C 0.45458(16) 0.10341(11) 0.43323(13) 0.0198(4) Uani 1 1 d . . . . .
H5 H 0.430456 0.049362 0.436511 0.024 Uiso 1 1 calc R U . . .
C6 C 0.55034(16) 0.13229(11) 0.50393(13) 0.0212(4) Uani 1 1 d . . . . .
H6 H 0.591191 0.098534 0.555421 0.025 Uiso 1 1 calc R U . . .
C7 C 0.58576(16) 0.21089(12) 0.49862(13) 0.0222(4) Uani 1 1 d . . . . .
H7 H 0.651768 0.230617 0.546707 0.027 Uiso 1 1 calc R U . . .
C8 C 0.52641(15) 0.26176(11) 0.42399(13) 0.0178(4) Uani 1 1 d . . . . .
C9 C 0.28680(15) 0.11933(11) 0.28329(13) 0.0198(4) Uani 1 1 d . . . . .
H9 H 0.265072 0.157861 0.228824 0.024 Uiso 1 1 calc R U . . .
C10 C 0.18934(17) 0.11747(15) 0.32226(17) 0.0337(5) Uani 1 1 d . . . . .
H10A H 0.208032 0.080001 0.375831 0.051 Uiso 1 1 calc R U . . .
H10B H 0.119591 0.099427 0.272709 0.051 Uiso 1 1 calc R U . . .
H10C H 0.177686 0.171799 0.343302 0.051 Uiso 1 1 calc R U . . .
C11 C 0.30385(19) 0.03639(12) 0.24558(15) 0.0297(5) Uani 1 1 d . . . . .
H11A H 0.366706 0.039080 0.220765 0.045 Uiso 1 1 calc R U . . .
H11B H 0.233935 0.020246 0.194913 0.045 Uiso 1 1 calc R U . . .
H11C H 0.321836 -0.003385 0.296845 0.045 Uiso 1 1 calc R U . . .
C12 C 0.57253(16) 0.34656(12) 0.42262(15) 0.0240(4) Uani 1 1 d . . . . .
H12 H 0.518229 0.375666 0.367248 0.029 Uiso 1 1 calc R U . . .
C13 C 0.57939(19) 0.39379(13) 0.51160(17) 0.0349(5) Uani 1 1 d . . . . .
H13A H 0.503567 0.396773 0.517001 0.052 Uiso 1 1 calc R U . . .
H13B H 0.607309 0.448571 0.507639 0.052 Uiso 1 1 calc R U . . .
H13C H 0.631681 0.366316 0.567225 0.052 Uiso 1 1 calc R U . . .
C14 C 0.68819(17) 0.34426(14) 0.40903(18) 0.0357(5) Uani 1 1 d . . . . .
H14A H 0.742969 0.315163 0.461864 0.054 Uiso 1 1 calc R U . . .
H14B H 0.715155 0.399624 0.406837 0.054 Uiso 1 1 calc R U . . .
H14C H 0.680605 0.316537 0.349662 0.054 Uiso 1 1 calc R U . . .
C15 C 0.18296(16) 0.44924(12) 0.08943(12) 0.0220(4) Uani 1 1 d . . . . .
H15A H 0.117748 0.411640 0.076390 0.026 Uiso 1 1 calc R U . . .
H15B H 0.197737 0.457818 0.029600 0.026 Uiso 1 1 calc R U . . .
C16 C 0.15206(17) 0.52959(12) 0.12336(14) 0.0250(4) Uani 1 1 d . . . . .
H16A H 0.083897 0.552233 0.074361 0.030 Uiso 1 1 calc R U . . .
H16B H 0.133323 0.520824 0.181392 0.030 Uiso 1 1 calc R U . . .
C17 C 0.24975(18) 0.58925(12) 0.14385(15) 0.0287(5) Uani 1 1 d . . . . .
H17A H 0.230294 0.639580 0.170518 0.034 Uiso 1 1 calc R U . . .
H17B H 0.262795 0.603079 0.084421 0.034 Uiso 1 1 calc R U . . .
C18 C 0.35754(17) 0.55248(12) 0.21383(14) 0.0256(4) Uani 1 1 d . . . . .
H18A H 0.422551 0.589252 0.221348 0.031 Uiso 1 1 calc R U . . .
H18B H 0.348258 0.546795 0.276229 0.031 Uiso 1 1 calc R U . . .
C19 C 0.38319(16) 0.47016(11) 0.18093(14) 0.0209(4) Uani 1 1 d . . . . .
H19A H 0.402820 0.477257 0.123061 0.025 Uiso 1 1 calc R U . . .
H19B H 0.450389 0.446783 0.230295 0.025 Uiso 1 1 calc R U . . .
C20 C 0.03993(17) 0.25236(12) 0.11334(14) 0.0267(4) Uani 1 1 d . . . . .
H20A H 0.049230 0.288286 0.064743 0.040 Uiso 1 1 calc R U . . .
H20B H -0.022032 0.214113 0.084092 0.040 Uiso 1 1 calc R U . . .
H20C H 0.110812 0.222492 0.143622 0.040 Uiso 1 1 calc R U . . .
C21 C -0.07382(18) 0.24240(13) 0.25740(17) 0.0307(5) Uani 1 1 d . . . . .
H21A H -0.020112 0.217461 0.314272 0.046 Uiso 1 1 calc R U . . .
H21B H -0.110440 0.200208 0.211316 0.046 Uiso 1 1 calc R U . . .
H21C H -0.131914 0.272252 0.274153 0.046 Uiso 1 1 calc R U . . .
C22 C -0.10105(16) 0.39211(13) 0.13762(15) 0.0277(4) Uani 1 1 d . . . . .
H22A H -0.125500 0.424097 0.182021 0.042 Uiso 1 1 calc R U . . .
H22B H -0.167201 0.365191 0.092377 0.042 Uiso 1 1 calc R U . . .
H22C H -0.065808 0.427806 0.103562 0.042 Uiso 1 1 calc R U . . .
C23 C -0.02832(17) 0.39466(14) 0.40016(15) 0.0281(4) Uani 1 1 d . . . . .
H23A H -0.090835 0.404743 0.340734 0.042 Uiso 1 1 calc R U . . .
H23B H -0.034504 0.431886 0.448805 0.042 Uiso 1 1 calc R U . . .
H23C H -0.032543 0.338787 0.420398 0.042 Uiso 1 1 calc R U . . .
C24 C 0.22127(18) 0.37649(14) 0.49491(14) 0.0293(5) Uani 1 1 d . . . . .
H24A H 0.226249 0.317347 0.495095 0.044 Uiso 1 1 calc R U . . .
H24B H 0.199930 0.394347 0.548615 0.044 Uiso 1 1 calc R U . . .
H24C H 0.295279 0.399705 0.500053 0.044 Uiso 1 1 calc R U . . .
C25 C 0.11969(16) 0.52325(11) 0.36948(14) 0.0231(4) Uani 1 1 d . . . . .
H25A H 0.191179 0.537087 0.359883 0.035 Uiso 1 1 calc R U . . .
H25B H 0.117091 0.549759 0.426900 0.035 Uiso 1 1 calc R U . . .
H25C H 0.055311 0.541646 0.315039 0.035 Uiso 1 1 calc R U . . .
H1AL H 0.3302(18) 0.4323(13) 0.3571(15) 0.026(6) Uiso 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 0.0181 0.0091 '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 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
N1 Al1 N3 124.32(7) . . ?
N1 Al1 N2 88.26(6) . . ?
N3 Al1 N2 116.04(7) . . ?
N1 Al1 H1AL 114.1(8) . . ?
N3 Al1 H1AL 107.3(8) . . ?
N2 Al1 H1AL 104.3(8) . . ?
N3 Si1 C22 111.13(8) . . ?
N3 Si1 C20 112.76(8) . . ?
C22 Si1 C20 106.26(10) . . ?
N3 Si1 C21 114.87(9) . . ?
C22 Si1 C21 106.48(10) . . ?
C20 Si1 C21 104.71(9) . . ?
N3 Si2 C25 112.27(8) . . ?
N3 Si2 C24 111.03(9) . . ?
C25 Si2 C24 110.15(10) . . ?
N3 Si2 C23 113.85(8) . . ?
C25 Si2 C23 104.28(9) . . ?
C24 Si2 C23 104.83(10) . . ?
C3 N1 C1 114.40(14) . . ?
C3 N1 Al1 127.60(11) . . ?
C1 N1 Al1 114.71(11) . . ?
C15 N2 C19 108.62(14) . . ?
C15 N2 C2 108.92(14) . . ?
C19 N2 C2 108.66(14) . . ?
C15 N2 Al1 117.90(11) . . ?
C19 N2 Al1 110.78(11) . . ?
C2 N2 Al1 101.46(10) . . ?
Si1 N3 Si2 119.73(8) . . ?
Si1 N3 Al1 130.40(9) . . ?
Si2 N3 Al1 109.70(8) . . ?
N1 C1 C2 107.91(14) . . ?
N1 C1 H1A 110.1 . . ?
C2 C1 H1A 110.1 . . ?
N1 C1 H1B 110.1 . . ?
C2 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
N2 C2 C1 110.68(14) . . ?
N2 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C8 119.10(16) . . ?
C4 C3 N1 119.48(15) . . ?
C8 C3 N1 121.42(15) . . ?
C5 C4 C3 119.58(16) . . ?
C5 C4 C9 119.78(16) . . ?
C3 C4 C9 120.56(15) . . ?
C6 C5 C4 121.29(17) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C7 C6 C5 119.23(17) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C8 121.33(17) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C7 C8 C3 119.42(16) . . ?
C7 C8 C12 117.88(16) . . ?
C3 C8 C12 122.70(16) . . ?
C4 C9 C10 109.78(16) . . ?
C4 C9 C11 113.41(16) . . ?
C10 C9 C11 110.93(17) . . ?
C4 C9 H9 107.5 . . ?
C10 C9 H9 107.5 . . ?
C11 C9 H9 107.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 C13 111.56(18) . . ?
C8 C12 C14 111.09(16) . . ?
C13 C12 C14 111.02(17) . . ?
C8 C12 H12 107.7 . . ?
C13 C12 H12 107.7 . . ?
C14 C12 H12 107.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C16 112.07(15) . . ?
N2 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
N2 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C17 C16 C15 110.93(16) . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C18 109.92(16) . . ?
C16 C17 H17A 109.7 . . ?
C18 C17 H17A 109.7 . . ?
C16 C17 H17B 109.7 . . ?
C18 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
C19 C18 C17 111.54(17) . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C19 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
N2 C19 C18 113.23(15) . . ?
N2 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
N2 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si2 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
Al1 N1 1.8319(15) . ?
Al1 N3 1.8509(15) . ?
Al1 N2 2.0538(15) . ?
Al1 H1AL 1.52(2) . ?
Si1 N3 1.7282(15) . ?
Si1 C22 1.877(2) . ?
Si1 C20 1.8776(19) . ?
Si1 C21 1.884(2) . ?
Si2 N3 1.7514(15) . ?
Si2 C25 1.872(2) . ?
Si2 C24 1.873(2) . ?
Si2 C23 1.8736(19) . ?
N1 C3 1.429(2) . ?
N1 C1 1.462(2) . ?
N2 C15 1.494(2) . ?
N2 C19 1.502(2) . ?
N2 C2 1.504(2) . ?
C1 C2 1.521(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.412(2) . ?
C3 C8 1.412(2) . ?
C4 C5 1.393(2) . ?
C4 C9 1.513(2) . ?
C5 C6 1.386(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.396(3) . ?
C7 H7 0.9500 . ?
C8 C12 1.519(3) . ?
C9 C10 1.523(3) . ?
C9 C11 1.527(3) . ?
C9 H9 1.0000 . ?
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 C13 1.528(3) . ?
C12 C14 1.529(3) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.520(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.517(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.524(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.520(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
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 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
