#------------------------------------------------------------------------------
#$Date: 2025-07-06 16:31:53 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 300637 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/40/1574074.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_1574074
loop_
_publ_author_name
'Saddington, Artemis'
'Yao, Shenglai'
'Lorent, Christian'
'Driess, Matthias'
_publ_section_title
;
 Redox non-innocent bis-silylene aluminium complexes with a carborane
 backbone
;
_journal_issue                   15
_journal_name_full               'Chemical Science'
_journal_page_first              6383
_journal_page_last               6391
_journal_paper_doi               10.1039/D5SC01104C
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C32 H56 Al2 B10 I3 N4 Si2'
_chemical_formula_weight         1095.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_audit_update_record
;
2025-01-20 deposited with the CCDC.	2025-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                109.939(3)
_cell_angle_beta                 102.833(3)
_cell_angle_gamma                100.765(3)
_cell_formula_units_Z            2
_cell_length_a                   12.2257(3)
_cell_length_b                   13.2295(4)
_cell_length_c                   17.0355(7)
_cell_measurement_reflns_used    7540
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      72.2420
_cell_measurement_theta_min      2.8740
_cell_volume                     2419.65(16)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17085
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.493
_diffrn_reflns_theta_max         67.493
_diffrn_reflns_theta_min         2.902
_exptl_absorpt_coefficient_mu    16.242
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.07382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       prism
_exptl_crystal_F_000             1078
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.275
_refine_diff_density_min         -2.052
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         8728
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0482
_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)+(0.0816P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1349
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7419
_reflns_number_total             8728
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc01104c2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 1574073--1574078.cif.'
_cod_original_cell_volume        2419.65(15)
_cod_database_code               1574074
_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   0.148
_shelx_estimated_absorpt_t_max   0.357
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
I3 I 0.67349(3) 0.56033(3) 0.33535(2) 0.03711(12) Uani 1 1 d . . . . .
I1 I 0.56490(3) 0.86035(3) 0.41811(2) 0.04044(12) Uani 1 1 d . . . . .
I2 I 0.51710(3) 0.67878(3) 0.16191(2) 0.04169(12) Uani 1 1 d . . . . .
Si1 Si 0.17333(9) 0.57288(9) 0.29208(8) 0.0151(2) Uani 1 1 d . . . . .
Si2 Si 0.28125(9) 0.36820(9) 0.23698(7) 0.0155(2) Uani 1 1 d . . . . .
Al1 Al 0.35362(9) 0.55105(9) 0.33019(8) 0.0135(2) Uani 1 1 d . . . . .
Al2 Al 0.51672(11) 0.65920(11) 0.30567(9) 0.0229(3) Uani 1 1 d . . . . .
N1 N 0.1184(3) 0.6682(3) 0.2492(2) 0.0190(8) Uani 1 1 d . . . . .
N3 N 0.3229(3) 0.2842(3) 0.1455(2) 0.0202(8) Uani 1 1 d . . . . .
N2 N 0.1230(3) 0.6636(3) 0.3748(2) 0.0171(7) Uani 1 1 d . . . . .
N4 N 0.3368(3) 0.2640(3) 0.2670(2) 0.0208(8) Uani 1 1 d . . . . .
C4 C 0.3610(3) 0.2256(4) 0.1915(3) 0.0192(9) Uani 1 1 d . . . . .
C3 C 0.0962(3) 0.7198(3) 0.3242(3) 0.0174(9) Uani 1 1 d . . . . .
C10 C 0.0458(4) 0.8160(4) 0.3436(3) 0.0210(9) Uani 1 1 d . . . . .
C21 C 0.1304(4) 0.6954(4) 0.4698(3) 0.0199(9) Uani 1 1 d . . . . .
C1 C 0.0566(3) 0.4295(3) 0.2360(3) 0.0171(9) Uani 1 1 d . . . . .
C2 C 0.1130(3) 0.3201(3) 0.2080(3) 0.0181(9) Uani 1 1 d . . . . .
C11 C 0.4174(4) 0.1348(4) 0.1633(3) 0.0240(10) Uani 1 1 d . . . . .
C29 C 0.3722(4) 0.2407(4) 0.3475(3) 0.0231(10) Uani 1 1 d . . . . .
C17 C 0.1269(4) 0.7080(4) 0.1782(3) 0.0244(10) Uani 1 1 d . . . . .
C25 C 0.3443(4) 0.2859(4) 0.0620(3) 0.0219(9) Uani 1 1 d . . . . .
C5 C 0.1159(4) 0.9261(4) 0.3860(3) 0.0271(10) Uani 1 1 d . . . . .
H5 H 0.198662 0.942089 0.405602 0.032 Uiso 1 1 calc R U . . .
C16 C 0.3477(4) 0.0267(4) 0.1099(3) 0.0291(11) Uani 1 1 d . . . . .
H16 H 0.265225 0.011839 0.088753 0.035 Uiso 1 1 calc R U . . .
C12 C 0.5381(4) 0.1566(4) 0.1942(3) 0.0272(11) Uani 1 1 d . . . . .
H12 H 0.586235 0.231054 0.230095 0.033 Uiso 1 1 calc R U . . .
C22 C 0.2317(4) 0.8011(4) 0.5255(3) 0.0281(11) Uani 1 1 d . . . . .
H22A H 0.302578 0.790914 0.509961 0.042 Uiso 1 1 calc R U . . .
H22B H 0.245122 0.815663 0.587768 0.042 Uiso 1 1 calc R U . . .
H22C H 0.212674 0.864932 0.514725 0.042 Uiso 1 1 calc R U . . .
C24 C 0.1553(4) 0.5985(4) 0.4936(3) 0.0282(11) Uani 1 1 d . . . . .
H24A H 0.087144 0.532103 0.461901 0.042 Uiso 1 1 calc R U . . .
H24B H 0.171122 0.620159 0.556945 0.042 Uiso 1 1 calc R U . . .
H24C H 0.223627 0.581124 0.477110 0.042 Uiso 1 1 calc R U . . .
C30 C 0.5029(4) 0.3018(5) 0.3964(4) 0.0367(13) Uani 1 1 d . . . . .
H30A H 0.549766 0.270512 0.359781 0.055 Uiso 1 1 calc R U . . .
H30B H 0.525006 0.291925 0.451645 0.055 Uiso 1 1 calc R U . . .
H30C H 0.517094 0.381964 0.408921 0.055 Uiso 1 1 calc R U . . .
C23 C 0.0147(4) 0.7108(4) 0.4845(3) 0.0291(11) Uani 1 1 d . . . . .
H23A H 0.003492 0.779345 0.478210 0.044 Uiso 1 1 calc R U . . .
H23B H 0.016427 0.716698 0.543770 0.044 Uiso 1 1 calc R U . . .
H23C H -0.049989 0.646082 0.441134 0.044 Uiso 1 1 calc R U . . .
C9 C -0.0765(4) 0.7917(4) 0.3147(4) 0.0309(11) Uani 1 1 d . . . . .
H9 H -0.124053 0.715960 0.286032 0.037 Uiso 1 1 calc R U . . .
C8 C -0.1277(5) 0.8785(5) 0.3282(4) 0.0384(13) Uani 1 1 d . . . . .
H8 H -0.210456 0.862852 0.309397 0.046 Uiso 1 1 calc R U . . .
C18 C 0.1477(5) 0.6132(4) 0.1060(3) 0.0319(12) Uani 1 1 d . . . . .
H18A H 0.216081 0.592947 0.131410 0.048 Uiso 1 1 calc R U . . .
H18B H 0.161610 0.638489 0.060351 0.048 Uiso 1 1 calc R U . . .
H18C H 0.078631 0.547557 0.080094 0.048 Uiso 1 1 calc R U . . .
C6 C 0.0642(5) 1.0132(4) 0.3998(4) 0.0388(13) Uani 1 1 d . . . . .
H6 H 0.111342 1.088934 0.429783 0.047 Uiso 1 1 calc R U . . .
C27 C 0.4754(4) 0.3161(5) 0.0746(3) 0.0341(12) Uani 1 1 d . . . . .
H27A H 0.515776 0.383448 0.128669 0.051 Uiso 1 1 calc R U . . .
H27B H 0.489483 0.330616 0.024432 0.051 Uiso 1 1 calc R U . . .
H27C H 0.505260 0.253682 0.078637 0.051 Uiso 1 1 calc R U . . .
C32 C 0.3002(5) 0.2866(4) 0.4054(3) 0.0295(11) Uani 1 1 d . . . . .
H32A H 0.313672 0.366992 0.419359 0.044 Uiso 1 1 calc R U . . .
H32B H 0.323425 0.275046 0.459891 0.044 Uiso 1 1 calc R U . . .
H32C H 0.216985 0.247360 0.374507 0.044 Uiso 1 1 calc R U . . .
C28 C 0.2950(5) 0.3761(5) 0.0435(3) 0.0329(11) Uani 1 1 d . . . . .
H28A H 0.209798 0.353678 0.030511 0.049 Uiso 1 1 calc R U . . .
H28B H 0.314380 0.385185 -0.006964 0.049 Uiso 1 1 calc R U . . .
H28C H 0.329337 0.447316 0.095121 0.049 Uiso 1 1 calc R U . . .
C15 C 0.3985(5) -0.0599(4) 0.0874(4) 0.0390(14) Uani 1 1 d . . . . .
H15 H 0.351122 -0.134031 0.049840 0.047 Uiso 1 1 calc R U . . .
C13 C 0.5878(4) 0.0692(5) 0.1723(4) 0.0345(12) Uani 1 1 d . . . . .
H13 H 0.670266 0.083550 0.193718 0.041 Uiso 1 1 calc R U . . .
C31 C 0.3471(5) 0.1144(4) 0.3233(3) 0.0343(12) Uani 1 1 d . . . . .
H31A H 0.264752 0.076860 0.288213 0.051 Uiso 1 1 calc R U . . .
H31B H 0.363003 0.100346 0.377025 0.051 Uiso 1 1 calc R U . . .
H31C H 0.397338 0.085019 0.289172 0.051 Uiso 1 1 calc R U . . .
C26 C 0.2787(5) 0.1741(5) -0.0151(3) 0.0358(12) Uani 1 1 d . . . . .
H26A H 0.313032 0.115671 -0.007030 0.054 Uiso 1 1 calc R U . . .
H26B H 0.284912 0.180373 -0.069705 0.054 Uiso 1 1 calc R U . . .
H26C H 0.196133 0.154435 -0.018054 0.054 Uiso 1 1 calc R U . . .
B2 B -0.0760(4) 0.4003(4) 0.1604(4) 0.0243(11) Uani 1 1 d . . . . .
H2 H -0.110035 0.464685 0.141934 0.029 Uiso 1 1 calc R U . . .
C19 C 0.2322(5) 0.8113(5) 0.2141(4) 0.0409(14) Uani 1 1 d . . . . .
H19A H 0.218513 0.873394 0.258645 0.061 Uiso 1 1 calc R U . . .
H19B H 0.243522 0.832742 0.166189 0.061 Uiso 1 1 calc R U . . .
H19C H 0.302301 0.794228 0.240726 0.061 Uiso 1 1 calc R U . . .
B9 B -0.0858(4) 0.2519(4) 0.2512(4) 0.0233(11) Uani 1 1 d . . . . .
H9A H -0.127097 0.217884 0.292938 0.028 Uiso 1 1 calc R U . . .
B4 B 0.0563(4) 0.3462(4) 0.2947(3) 0.0189(10) Uani 1 1 d . . . . .
H4 H 0.110626 0.375777 0.364895 0.023 Uiso 1 1 calc R U . . .
B10 B -0.1093(4) 0.1695(4) 0.1380(4) 0.0264(12) Uani 1 1 d . . . . .
H10 H -0.167011 0.080849 0.104398 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5184(5) -0.0380(5) 0.1198(4) 0.0423(14) Uani 1 1 d . . . . .
H14 H 0.553028 -0.097759 0.105645 0.051 Uiso 1 1 calc R U . . .
B8 B -0.1688(4) 0.2844(4) 0.1673(4) 0.0234(11) Uani 1 1 d . . . . .
H8A H -0.265493 0.271483 0.152983 0.028 Uiso 1 1 calc R U . . .
B7 B -0.1016(4) 0.2608(5) 0.0823(4) 0.0268(12) Uani 1 1 d . . . . .
H7 H -0.153529 0.232294 0.011721 0.032 Uiso 1 1 calc R U . . .
C7 C -0.0571(6) 0.9886(5) 0.3694(5) 0.0480(15) Uani 1 1 d . . . . .
H7A H -0.092086 1.048196 0.376934 0.058 Uiso 1 1 calc R U . . .
B6 B 0.0209(4) 0.2137(4) 0.1135(4) 0.0241(11) Uani 1 1 d . . . . .
H6A H 0.051234 0.154800 0.063957 0.029 Uiso 1 1 calc R U . . .
B1 B 0.0404(4) 0.3557(4) 0.1276(3) 0.0214(11) Uani 1 1 d . . . . .
H1 H 0.084379 0.391769 0.088056 0.026 Uiso 1 1 calc R U . . .
B3 B -0.0671(4) 0.3941(4) 0.2642(4) 0.0228(11) Uani 1 1 d . . . . .
H3 H -0.095733 0.454375 0.314114 0.027 Uiso 1 1 calc R U . . .
B5 B 0.0298(4) 0.2067(4) 0.2168(3) 0.0222(11) Uani 1 1 d . . . . .
H5A H 0.065317 0.143133 0.235470 0.027 Uiso 1 1 calc R U . . .
C20 C 0.0149(5) 0.7329(6) 0.1397(4) 0.0472(15) Uani 1 1 d . . . . .
H20A H -0.053161 0.672959 0.130919 0.071 Uiso 1 1 calc R U . . .
H20B H 0.014315 0.736947 0.083275 0.071 Uiso 1 1 calc R U . . .
H20C H 0.011698 0.804687 0.180322 0.071 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 0.0181 0.0091 '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'
H H 0.0000 0.0000 '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'
B B 0.0090 0.0039 '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'
I I -0.3257 6.8362 '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 Si1 N2 72.42(17) . . ?
N1 Si1 C1 107.92(17) . . ?
N2 Si1 C1 107.00(18) . . ?
N1 Si1 Al1 132.52(12) . . ?
N2 Si1 Al1 119.85(12) . . ?
C1 Si1 Al1 110.43(14) . . ?
N1 Si1 C3 36.21(16) . . ?
N2 Si1 C3 36.25(16) . . ?
C1 Si1 C3 113.20(17) . . ?
Al1 Si1 C3 135.33(11) . . ?
N4 Si2 N3 72.54(18) . . ?
N4 Si2 C2 107.15(18) . . ?
N3 Si2 C2 108.59(18) . . ?
N4 Si2 Al1 119.41(13) . . ?
N3 Si2 Al1 131.87(13) . . ?
C2 Si2 Al1 110.60(14) . . ?
N4 Si2 C4 36.06(17) . . ?
N3 Si2 C4 36.52(17) . . ?
C2 Si2 C4 113.78(17) . . ?
Al1 Si2 C4 134.49(11) . . ?
Si1 Al1 Si2 89.44(5) . . ?
Si1 Al1 Al2 120.54(7) . . ?
Si2 Al1 Al2 115.58(7) . . ?
Al1 Al2 I2 125.75(6) . . ?
Al1 Al2 I1 105.72(6) . . ?
I2 Al2 I1 104.74(5) . . ?
Al1 Al2 I3 101.41(6) . . ?
I2 Al2 I3 105.54(5) . . ?
I1 Al2 I3 114.07(5) . . ?
C3 N1 C17 128.8(4) . . ?
C3 N1 Si1 90.6(3) . . ?
C17 N1 Si1 137.8(3) . . ?
C4 N3 C25 128.1(4) . . ?
C4 N3 Si2 90.1(3) . . ?
C25 N3 Si2 140.0(3) . . ?
C3 N2 C21 128.2(4) . . ?
C3 N2 Si1 90.5(3) . . ?
C21 N2 Si1 139.6(3) . . ?
C4 N4 C29 130.0(4) . . ?
C4 N4 Si2 90.7(3) . . ?
C29 N4 Si2 137.8(3) . . ?
N4 C4 N3 106.5(4) . . ?
N4 C4 C11 126.6(4) . . ?
N3 C4 C11 126.9(4) . . ?
N4 C4 Si2 53.2(2) . . ?
N3 C4 Si2 53.4(2) . . ?
C11 C4 Si2 178.0(3) . . ?
N1 C3 N2 106.3(4) . . ?
N1 C3 C10 125.7(4) . . ?
N2 C3 C10 127.8(4) . . ?
N1 C3 Si1 53.1(2) . . ?
N2 C3 Si1 53.3(2) . . ?
C10 C3 Si1 178.9(3) . . ?
C5 C10 C9 120.6(5) . . ?
C5 C10 C3 121.9(4) . . ?
C9 C10 C3 117.5(4) . . ?
N2 C21 C22 109.0(4) . . ?
N2 C21 C23 111.1(4) . . ?
C22 C21 C23 111.8(4) . . ?
N2 C21 C24 107.0(4) . . ?
C22 C21 C24 109.2(4) . . ?
C23 C21 C24 108.6(4) . . ?
C2 C1 B2 110.4(3) . . ?
C2 C1 B1 60.6(3) . . ?
B2 C1 B1 62.1(3) . . ?
C2 C1 B3 110.6(3) . . ?
B2 C1 B3 62.5(3) . . ?
B1 C1 B3 113.2(3) . . ?
C2 C1 B4 60.9(3) . . ?
B2 C1 B4 113.7(3) . . ?
B1 C1 B4 112.6(3) . . ?
B3 C1 B4 62.5(3) . . ?
C2 C1 Si1 113.4(3) . . ?
B2 C1 Si1 124.9(3) . . ?
B1 C1 Si1 115.6(3) . . ?
B3 C1 Si1 125.5(3) . . ?
B4 C1 Si1 116.0(3) . . ?
C1 C2 B6 110.6(3) . . ?
C1 C2 B1 60.5(3) . . ?
B6 C2 B1 62.5(3) . . ?
C1 C2 B5 110.4(3) . . ?
B6 C2 B5 62.5(3) . . ?
B1 C2 B5 113.4(3) . . ?
C1 C2 B4 60.5(3) . . ?
B6 C2 B4 113.5(3) . . ?
B1 C2 B4 112.2(4) . . ?
B5 C2 B4 62.4(3) . . ?
C1 C2 Si2 112.1(2) . . ?
B6 C2 Si2 125.1(3) . . ?
B1 C2 Si2 113.8(3) . . ?
B5 C2 Si2 127.3(3) . . ?
B4 C2 Si2 116.9(3) . . ?
C16 C11 C12 120.1(5) . . ?
C16 C11 C4 119.2(4) . . ?
C12 C11 C4 120.6(4) . . ?
N4 C29 C32 107.4(4) . . ?
N4 C29 C31 110.7(4) . . ?
C32 C29 C31 109.0(4) . . ?
N4 C29 C30 109.2(4) . . ?
C32 C29 C30 109.4(4) . . ?
C31 C29 C30 111.2(4) . . ?
N1 C17 C19 109.1(4) . . ?
N1 C17 C20 112.0(4) . . ?
C19 C17 C20 111.0(5) . . ?
N1 C17 C18 106.6(4) . . ?
C19 C17 C18 108.7(4) . . ?
C20 C17 C18 109.2(4) . . ?
N3 C25 C26 110.9(4) . . ?
N3 C25 C28 107.0(4) . . ?
C26 C25 C28 107.9(4) . . ?
N3 C25 C27 109.9(4) . . ?
C26 C25 C27 111.8(4) . . ?
C28 C25 C27 109.3(4) . . ?
C10 C5 C6 119.5(5) . . ?
C11 C16 C15 119.9(5) . . ?
C13 C12 C11 119.6(4) . . ?
C8 C9 C10 119.7(5) . . ?
C9 C8 C7 119.5(5) . . ?
C5 C6 C7 119.6(5) . . ?
C14 C15 C16 119.7(5) . . ?
C14 C13 C12 120.2(5) . . ?
C1 B2 B1 59.0(3) . . ?
C1 B2 B3 58.9(3) . . ?
B1 B2 B3 107.7(4) . . ?
C1 B2 B8 105.0(4) . . ?
B1 B2 B8 107.3(4) . . ?
B3 B2 B8 59.8(3) . . ?
C1 B2 B7 105.1(4) . . ?
B1 B2 B7 59.5(3) . . ?
B3 B2 B7 107.8(4) . . ?
B8 B2 B7 59.9(3) . . ?
B4 B9 B5 60.6(3) . . ?
B4 B9 B3 60.4(3) . . ?
B5 B9 B3 108.9(4) . . ?
B4 B9 B10 108.1(4) . . ?
B5 B9 B10 59.9(3) . . ?
B3 B9 B10 107.6(4) . . ?
B4 B9 B8 107.9(4) . . ?
B5 B9 B8 107.8(4) . . ?
B3 B9 B8 59.7(3) . . ?
B10 B9 B8 59.5(3) . . ?
C1 B4 C2 58.6(3) . . ?
C1 B4 B9 105.5(3) . . ?
C2 B4 B9 105.3(3) . . ?
C1 B4 B3 58.6(3) . . ?
C2 B4 B3 105.7(4) . . ?
B9 B4 B3 60.3(3) . . ?
C1 B4 B5 105.9(4) . . ?
C2 B4 B5 58.6(3) . . ?
B9 B4 B5 59.9(3) . . ?
B3 B4 B5 108.2(3) . . ?
B8 B10 B7 60.4(3) . . ?
B8 B10 B5 108.2(4) . . ?
B7 B10 B5 108.0(3) . . ?
B8 B10 B6 108.0(4) . . ?
B7 B10 B6 59.8(3) . . ?
B5 B10 B6 59.9(3) . . ?
B8 B10 B9 60.3(3) . . ?
B7 B10 B9 108.2(4) . . ?
B5 B10 B9 59.7(3) . . ?
B6 B10 B9 107.4(3) . . ?
C13 C14 C15 120.6(5) . . ?
B10 B8 B3 108.4(4) . . ?
B10 B8 B7 59.8(3) . . ?
B3 B8 B7 108.1(3) . . ?
B10 B8 B2 108.2(4) . . ?
B3 B8 B2 59.9(3) . . ?
B7 B8 B2 60.1(3) . . ?
B10 B8 B9 60.2(3) . . ?
B3 B8 B9 59.9(3) . . ?
B7 B8 B9 107.7(4) . . ?
B2 B8 B9 107.8(3) . . ?
B1 B7 B6 60.2(3) . . ?
B1 B7 B10 108.1(4) . . ?
B6 B7 B10 60.3(3) . . ?
B1 B7 B8 107.5(4) . . ?
B6 B7 B8 108.0(4) . . ?
B10 B7 B8 59.8(3) . . ?
B1 B7 B2 59.7(3) . . ?
B6 B7 B2 108.2(3) . . ?
B10 B7 B2 108.0(4) . . ?
B8 B7 B2 59.9(3) . . ?
C8 C7 C6 121.0(5) . . ?
C2 B6 B7 105.8(4) . . ?
C2 B6 B1 59.1(3) . . ?
B7 B6 B1 59.8(3) . . ?
C2 B6 B5 59.3(3) . . ?
B7 B6 B5 108.2(4) . . ?
B1 B6 B5 108.1(4) . . ?
C2 B6 B10 105.6(4) . . ?
B7 B6 B10 60.0(3) . . ?
B1 B6 B10 107.5(4) . . ?
B5 B6 B10 60.0(3) . . ?
C1 B1 C2 58.9(3) . . ?
C1 B1 B7 106.0(4) . . ?
C2 B1 B7 105.5(4) . . ?
C1 B1 B2 58.9(3) . . ?
C2 B1 B2 106.6(4) . . ?
B7 B1 B2 60.8(3) . . ?
C1 B1 B6 106.0(4) . . ?
C2 B1 B6 58.4(3) . . ?
B7 B1 B6 60.0(3) . . ?
B2 B1 B6 108.9(4) . . ?
C1 B3 B8 105.2(4) . . ?
C1 B3 B2 58.7(3) . . ?
B8 B3 B2 60.2(3) . . ?
C1 B3 B9 105.0(4) . . ?
B8 B3 B9 60.3(3) . . ?
B2 B3 B9 108.3(4) . . ?
C1 B3 B4 58.9(3) . . ?
B8 B3 B4 107.5(4) . . ?
B2 B3 B4 107.7(4) . . ?
B9 B3 B4 59.3(3) . . ?
C2 B5 B9 105.1(4) . . ?
C2 B5 B6 58.3(3) . . ?
B9 B5 B6 108.2(4) . . ?
C2 B5 B10 104.9(4) . . ?
B9 B5 B10 60.4(3) . . ?
B6 B5 B10 60.1(3) . . ?
C2 B5 B4 59.0(3) . . ?
B9 B5 B4 59.4(3) . . ?
B6 B5 B4 107.3(4) . . ?
B10 B5 B4 107.6(4) . . ?
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
I3 Al2 2.5684(15) . ?
I1 Al2 2.5562(14) . ?
I2 Al2 2.5499(14) . ?
Si1 N1 1.817(4) . ?
Si1 N2 1.820(4) . ?
Si1 C1 1.923(4) . ?
Si1 Al1 2.2568(16) . ?
Si1 C3 2.271(5) . ?
Si2 N4 1.816(4) . ?
Si2 N3 1.819(4) . ?
Si2 C2 1.930(4) . ?
Si2 Al1 2.2611(15) . ?
Si2 C4 2.266(5) . ?
Al1 Al2 2.4310(17) . ?
N1 C3 1.342(6) . ?
N1 C17 1.491(6) . ?
N3 C4 1.349(6) . ?
N3 C25 1.508(6) . ?
N2 C3 1.343(6) . ?
N2 C21 1.503(6) . ?
N4 C4 1.334(6) . ?
N4 C29 1.496(6) . ?
C4 C11 1.487(7) . ?
C3 C10 1.484(6) . ?
C10 C5 1.386(7) . ?
C10 C9 1.403(6) . ?
C21 C22 1.522(6) . ?
C21 C23 1.529(6) . ?
C21 C24 1.532(7) . ?
C1 C2 1.687(6) . ?
C1 B2 1.714(6) . ?
C1 B1 1.714(7) . ?
C1 B3 1.717(6) . ?
C1 B4 1.722(7) . ?
C2 B6 1.702(6) . ?
C2 B1 1.715(7) . ?
C2 B5 1.721(6) . ?
C2 B4 1.727(7) . ?
C11 C16 1.383(6) . ?
C11 C12 1.390(6) . ?
C29 C32 1.515(7) . ?
C29 C31 1.529(7) . ?
C29 C30 1.538(6) . ?
C17 C19 1.524(6) . ?
C17 C20 1.525(7) . ?
C17 C18 1.535(7) . ?
C25 C26 1.522(6) . ?
C25 C28 1.525(7) . ?
C25 C27 1.525(6) . ?
C5 C6 1.391(8) . ?
C16 C15 1.384(8) . ?
C12 C13 1.383(7) . ?
C9 C8 1.384(8) . ?
C8 C7 1.386(9) . ?
C6 C7 1.391(8) . ?
C15 C14 1.382(8) . ?
C13 C14 1.371(8) . ?
B2 B1 1.768(8) . ?
B2 B3 1.779(8) . ?
B2 B8 1.784(7) . ?
B2 B7 1.788(8) . ?
B9 B4 1.764(6) . ?
B9 B5 1.773(8) . ?
B9 B3 1.781(7) . ?
B9 B10 1.787(8) . ?
B9 B8 1.788(8) . ?
B4 B3 1.783(7) . ?
B4 B5 1.785(7) . ?
B10 B8 1.774(8) . ?
B10 B7 1.774(8) . ?
B10 B5 1.778(7) . ?
B10 B6 1.780(7) . ?
B8 B3 1.777(7) . ?
B8 B7 1.784(8) . ?
B7 B1 1.766(6) . ?
B7 B6 1.770(8) . ?
B6 B1 1.773(7) . ?
B6 B5 1.776(8) . ?
