#------------------------------------------------------------------------------
#$Date: 2025-08-21 00:40:30 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301839 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/12/4331237.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_4331237
loop_
_publ_author_name
'Deepak Dange'
'Jiaye Li'
'Christian Schenk'
'Hansgeorg Schnöckel'
'Cameron Jones'
_publ_section_title
;
 Monomeric Group 13 Metal(I) Amides: Enforcing One-Coordination Through
 Extreme Ligand Steric Bulk
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13050
_journal_page_last               13059
_journal_paper_doi               10.1021/ic3022613
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C86 H94 Al2 K2 N2 Si2'
_chemical_formula_weight         1343.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.176(4)
_cell_angle_beta                 99.877(4)
_cell_angle_gamma                91.641(4)
_cell_formula_units_Z            1
_cell_length_a                   10.2955(5)
_cell_length_b                   12.6163(7)
_cell_length_c                   15.1988(7)
_cell_measurement_temperature    123(2)
_cell_volume                     1910.79(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12561
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.223
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7451
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0479
_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)+(0.0500P)²+0.4567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1253
_reflns_number_gt                5780
_reflns_number_total             7451
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3022613_si_002_06.cif
_cod_data_source_block           compound10
_cod_database_code               4331237
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
K1 K 0.31296(5) 1.08988(4) 0.44659(3) 0.03436(15) Uani 1 1 d .
Si1 Si 0.31196(5) 0.59873(5) 0.29865(4) 0.02311(15) Uani 1 1 d .
Al1 Al 0.40747(6) 0.82633(5) 0.40478(4) 0.02311(16) Uani 1 1 d .
N1 N 0.38803(15) 0.72267(13) 0.29981(10) 0.0187(4) Uani 1 1 d .
C1 C 0.43103(18) 0.75242(15) 0.22227(12) 0.0180(4) Uani 1 1 d .
C2 C 0.55081(19) 0.71830(15) 0.19705(12) 0.0193(4) Uani 1 1 d .
C3 C 0.59288(19) 0.75050(16) 0.12307(13) 0.0224(4) Uani 1 1 d .
H3 H 0.6743 0.7271 0.1076 0.027 Uiso 1 1 calc R
C4 C 0.5199(2) 0.81567(16) 0.07114(13) 0.0237(4) Uani 1 1 d .
C5 C 0.4022(2) 0.84860(16) 0.09601(13) 0.0229(4) Uani 1 1 d .
H5 H 0.3507 0.8930 0.0611 0.028 Uiso 1 1 calc R
C6 C 0.35574(18) 0.81957(15) 0.16991(13) 0.0189(4) Uani 1 1 d .
C7 C 0.5658(2) 0.84610(19) -0.01091(15) 0.0340(5) Uani 1 1 d .
H7A H 0.5478 0.7847 -0.0617 0.051 Uiso 1 1 calc R
H7B H 0.6609 0.8655 0.0038 0.051 Uiso 1 1 calc R
H7C H 0.5185 0.9078 -0.0280 0.051 Uiso 1 1 calc R
C8 C 0.63537(19) 0.64491(16) 0.25031(13) 0.0208(4) Uani 1 1 d .
H8 H 0.5733 0.6034 0.2774 0.025 Uiso 1 1 calc R
C9 C 0.69995(19) 0.56089(16) 0.18799(13) 0.0195(4) Uani 1 1 d .
C10 C 0.6221(2) 0.49885(17) 0.11077(14) 0.0272(5) Uani 1 1 d .
H10 H 0.5305 0.5098 0.0976 0.033 Uiso 1 1 calc R
C11 C 0.6756(2) 0.42183(17) 0.05302(14) 0.0278(5) Uani 1 1 d .
H11 H 0.6206 0.3803 0.0010 0.033 Uiso 1 1 calc R
C12 C 0.8085(2) 0.40522(17) 0.07074(14) 0.0264(5) Uani 1 1 d .
H12 H 0.8458 0.3530 0.0308 0.032 Uiso 1 1 calc R
C13 C 0.8865(2) 0.46499(18) 0.14679(15) 0.0290(5) Uani 1 1 d .
H13 H 0.9781 0.4536 0.1596 0.035 Uiso 1 1 calc R
C14 C 0.8325(2) 0.54224(17) 0.20528(14) 0.0243(4) Uani 1 1 d .
H14 H 0.8877 0.5826 0.2577 0.029 Uiso 1 1 calc R
C15 C 0.7359(2) 0.70656(17) 0.32971(13) 0.0242(4) Uani 1 1 d .
C16 C 0.7594(2) 0.66936(19) 0.41156(14) 0.0298(5) Uani 1 1 d .
H16 H 0.7061 0.6102 0.4194 0.036 Uiso 1 1 calc R
C17 C 0.8594(2) 0.7172(2) 0.48189(15) 0.0386(6) Uani 1 1 d .
H17 H 0.8749 0.6898 0.5368 0.046 Uiso 1 1 calc R
C18 C 0.9364(2) 0.8044(2) 0.47243(16) 0.0413(6) Uani 1 1 d .
H18 H 1.0048 0.8373 0.5205 0.050 Uiso 1 1 calc R
C19 C 0.9128(2) 0.8427(2) 0.39271(17) 0.0423(6) Uani 1 1 d .
H19 H 0.9648 0.9031 0.3859 0.051 Uiso 1 1 calc R
C20 C 0.8138(2) 0.79448(19) 0.32161(16) 0.0345(5) Uani 1 1 d .
H20 H 0.7994 0.8221 0.2667 0.041 Uiso 1 1 calc R
C21 C 0.22602(19) 0.86104(16) 0.19329(12) 0.0191(4) Uani 1 1 d .
H21 H 0.2078 0.8273 0.2451 0.023 Uiso 1 1 calc R
C22 C 0.11049(19) 0.82404(16) 0.11435(13) 0.0201(4) Uani 1 1 d .
C23 C 0.0834(2) 0.87809(17) 0.04173(13) 0.0248(5) Uani 1 1 d .
H23 H 0.1359 0.9411 0.0414 0.030 Uiso 1 1 calc R
C24 C -0.0194(2) 0.84116(18) -0.03035(14) 0.0288(5) Uani 1 1 d .
H24 H -0.0357 0.8784 -0.0799 0.035 Uiso 1 1 calc R
C25 C -0.0981(2) 0.75049(18) -0.03031(14) 0.0289(5) Uani 1 1 d .
H25 H -0.1681 0.7251 -0.0798 0.035 Uiso 1 1 calc R
C26 C -0.0744(2) 0.69711(18) 0.04223(14) 0.0290(5) Uani 1 1 d .
H26 H -0.1284 0.6351 0.0430 0.035 Uiso 1 1 calc R
C27 C 0.02857(19) 0.73421(17) 0.11406(14) 0.0235(4) Uani 1 1 d .
H27 H 0.0434 0.6975 0.1640 0.028 Uiso 1 1 calc R
C28 C 0.2289(2) 0.98343(17) 0.22491(12) 0.0236(4) Uani 1 1 d .
C29 C 0.3393(2) 1.05280(18) 0.23209(15) 0.0328(5) Uani 1 1 d .
H29 H 0.4196 1.0242 0.2189 0.039 Uiso 1 1 calc R
C30 C 0.3333(3) 1.16398(19) 0.25846(16) 0.0425(6) Uani 1 1 d .
H30 H 0.4092 1.2105 0.2627 0.051 Uiso 1 1 calc R
C31 C 0.2179(3) 1.2066(2) 0.27841(15) 0.0422(6) Uani 1 1 d .
H31 H 0.2139 1.2825 0.2953 0.051 Uiso 1 1 calc R
C32 C 0.1074(3) 1.13884(19) 0.27386(14) 0.0368(6) Uani 1 1 d .
H32 H 0.0281 1.1678 0.2887 0.044 Uiso 1 1 calc R
C33 C 0.1138(2) 1.02894(18) 0.24758(13) 0.0287(5) Uani 1 1 d .
H33 H 0.0380 0.9829 0.2448 0.034 Uiso 1 1 calc R
C34 C 0.2681(2) 0.51943(18) 0.18110(15) 0.0329(5) Uani 1 1 d .
H34A H 0.2156 0.5625 0.1420 0.049 Uiso 1 1 calc R
H34B H 0.2165 0.4532 0.1818 0.049 Uiso 1 1 calc R
H34C H 0.3490 0.5009 0.1576 0.049 Uiso 1 1 calc R
C35 C 0.4129(2) 0.5132(2) 0.37053(19) 0.0422(6) Uani 1 1 d .
H35A H 0.4792 0.4789 0.3376 0.063 Uiso 1 1 calc R
H35B H 0.3549 0.4575 0.3840 0.063 Uiso 1 1 calc R
H35C H 0.4573 0.5586 0.4275 0.063 Uiso 1 1 calc R
C36 C 0.1611(2) 0.62121(19) 0.35110(15) 0.0328(5) Uani 1 1 d .
H36A H 0.1870 0.6570 0.4147 0.049 Uiso 1 1 calc R
H36B H 0.1141 0.5516 0.3481 0.049 Uiso 1 1 calc R
H36C H 0.1031 0.6668 0.3179 0.049 Uiso 1 1 calc R
C37 C 0.7438(3) 1.2484(2) 0.32011(18) 0.0451(6) Uani 1 1 d .
C38 C 0.7217(3) 1.1549(3) 0.3506(2) 0.0615(9) Uani 1 1 d .
H38 H 0.7130 1.1582 0.4123 0.074 Uiso 1 1 calc R
C39 C 0.7119(3) 1.0561(3) 0.2936(3) 0.0690(10) Uani 1 1 d .
H39 H 0.6944 0.9922 0.3157 0.083 Uiso 1 1 calc R
C40 C 0.7270(3) 1.0495(3) 0.2066(2) 0.0653(9) Uani 1 1 d .
H40 H 0.7227 0.9812 0.1678 0.078 Uiso 1 1 calc R
C41 C 0.7483(3) 1.1415(3) 0.17462(19) 0.0650(9) Uani 1 1 d .
H41 H 0.7575 1.1373 0.1130 0.078 Uiso 1 1 calc R
C42 C 0.7567(3) 1.2399(3) 0.23071(19) 0.0535(8) Uani 1 1 d .
H42 H 0.7716 1.3034 0.2075 0.064 Uiso 1 1 calc R
C43 C 0.7540(4) 1.3562(3) 0.3813(2) 0.0856(12) Uani 1 1 d .
H43A H 0.8415 1.3678 0.4202 0.128 Uiso 1 1 calc R
H43B H 0.6859 1.3586 0.4193 0.128 Uiso 1 1 calc R
H43C H 0.7415 1.4128 0.3446 0.128 Uiso 1 1 calc R
H1A H 0.463(2) 0.7791(18) 0.4890(15) 0.035(6) Uiso 1 1 d .
H2A H 0.275(2) 0.8758(16) 0.4189(14) 0.025(5) Uiso 1 1 d .
H3A H 0.504(2) 0.9228(19) 0.4027(15) 0.040(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 0.0033 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
C31 K1 C17 73.48(6) . 2_676
C31 K1 C30 24.86(7) . .
C17 K1 C30 95.78(6) 2_676 .
C31 K1 C32 24.90(7) . .
C17 K1 C32 72.07(6) 2_676 .
C30 K1 C32 43.66(7) . .
C31 K1 C18 85.37(7) . 2_676
C17 K1 C18 24.68(6) 2_676 2_676
C30 K1 C18 110.13(7) . 2_676
C32 K1 C18 73.87(6) . 2_676
C31 K1 C29 43.65(6) . .
C17 K1 C29 117.06(6) 2_676 .
C30 K1 C29 24.88(6) . .
C32 K1 C29 50.49(6) . .
C18 K1 C29 124.34(6) 2_676 .
C31 K1 C33 43.13(6) . .
C17 K1 C33 92.75(6) 2_676 .
C30 K1 C33 50.11(6) . .
C32 K1 C33 24.34(5) . .
C18 K1 C33 87.23(6) 2_676 .
C29 K1 C33 42.64(6) . .
C31 K1 C28 50.58(6) . .
C17 K1 C28 115.17(5) 2_676 .
C30 K1 C28 43.31(6) . .
C32 K1 C28 43.23(5) . .
C18 K1 C28 111.50(6) 2_676 .
C29 K1 C28 24.23(5) . .
C33 K1 C28 24.28(5) . .
C31 K1 Al1 121.45(5) . 2_676
C17 K1 Al1 96.69(5) 2_676 2_676
C30 K1 Al1 108.81(5) . 2_676
C32 K1 Al1 145.86(5) . 2_676
C18 K1 Al1 109.29(4) 2_676 2_676
C29 K1 Al1 115.64(5) . 2_676
C33 K1 Al1 157.86(4) . 2_676
C28 K1 Al1 136.97(4) . 2_676
C31 K1 Al1 118.97(5) . .
C17 K1 Al1 156.84(5) 2_676 .
C30 K1 Al1 101.26(5) . .
C32 K1 Al1 110.44(4) . .
C18 K1 Al1 132.35(5) 2_676 .
C29 K1 Al1 77.09(4) . .
C33 K1 Al1 86.36(4) . .
C28 K1 Al1 69.60(4) . .
Al1 K1 Al1 92.573(19) 2_676 .
C31 K1 K1 136.67(6) . 2_676
C17 K1 K1 139.40(4) 2_676 2_676
C30 K1 K1 111.90(6) . 2_676
C32 K1 K1 147.72(5) . 2_676
C18 K1 K1 136.93(5) 2_676 2_676
C29 K1 K1 98.24(5) . 2_676
C33 K1 K1 127.73(4) . 2_676
C28 K1 K1 105.26(4) . 2_676
Al1 K1 K1 47.315(14) 2_676 2_676
Al1 K1 K1 45.258(14) . 2_676
C31 K1 H2A 117.5(4) . .
C17 K1 H2A 133.0(5) 2_676 .
C30 K1 H2A 109.5(4) . .
C32 K1 H2A 99.6(4) . .
C18 K1 H2A 108.3(4) 2_676 .
C29 K1 H2A 85.0(4) . .
C33 K1 H2A 76.0(4) . .
C28 K1 H2A 68.3(4) . .
Al1 K1 H2A 110.8(4) 2_676 .
Al1 K1 H2A 25.0(4) . .
K1 K1 H2A 65.5(4) 2_676 .
C31 K1 H3A 111.4(4) . .
C17 K1 H3A 171.8(5) 2_676 .
C30 K1 H3A 88.0(4) . .
C32 K1 H3A 115.3(4) . .
C18 K1 H3A 157.7(4) 2_676 .
C29 K1 H3A 68.4(4) . .
C33 K1 H3A 95.3(4) . .
C28 K1 H3A 72.4(4) . .
Al1 K1 H3A 75.2(5) 2_676 .
Al1 K1 H3A 26.6(4) . .
K1 K1 H3A 32.8(4) 2_676 .
H2A K1 H3A 51.5(6) . .
N1 Si1 C34 111.36(9) . .
N1 Si1 C36 108.42(9) . .
C34 Si1 C36 110.71(10) . .
N1 Si1 C35 114.13(9) . .
C34 Si1 C35 107.83(12) . .
C36 Si1 C35 104.16(11) . .
N1 Al1 K1 127.25(6) . 2_676
N1 Al1 K1 132.48(5) . .
K1 Al1 K1 87.427(19) 2_676 .
N1 Al1 H1A 111.3(9) . .
K1 Al1 H1A 53.4(8) 2_676 .
K1 Al1 H1A 115.8(9) . .
N1 Al1 H2A 112.0(8) . .
K1 Al1 H2A 120.7(8) 2_676 .
K1 Al1 H2A 46.8(7) . .
H1A Al1 H2A 108.2(11) . .
N1 Al1 H3A 112.2(9) . .
K1 Al1 H3A 53.7(8) 2_676 .
K1 Al1 H3A 59.2(9) . .
H1A Al1 H3A 107.0(12) . .
H2A Al1 H3A 105.8(12) . .
C1 N1 Si1 123.58(13) . .
C1 N1 Al1 117.70(12) . .
Si1 N1 Al1 118.64(8) . .
C2 C1 C6 118.03(16) . .
C2 C1 N1 121.09(16) . .
C6 C1 N1 120.86(17) . .
C3 C2 C1 120.31(17) . .
C3 C2 C8 119.32(18) . .
C1 C2 C8 120.37(16) . .
C4 C3 C2 122.19(19) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C5 C4 C3 117.25(17) . .
C5 C4 C7 121.74(19) . .
C3 C4 C7 120.99(19) . .
C4 C5 C6 123.03(18) . .
C4 C5 H5 118.5 . .
C6 C5 H5 118.5 . .
C5 C6 C1 119.18(18) . .
C5 C6 C21 119.47(17) . .
C1 C6 C21 121.34(16) . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C15 C8 C2 113.44(16) . .
C15 C8 C9 111.94(16) . .
C2 C8 C9 112.06(15) . .
C15 C8 H8 106.3 . .
C2 C8 H8 106.3 . .
C9 C8 H8 106.3 . .
C14 C9 C10 117.65(19) . .
C14 C9 C8 122.99(17) . .
C10 C9 C8 119.36(17) . .
C11 C10 C9 121.46(19) . .
C11 C10 H10 119.3 . .
C9 C10 H10 119.3 . .
C12 C11 C10 120.1(2) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C13 C12 C11 119.3(2) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C14 120.6(2) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C9 C14 C13 120.90(19) . .
C9 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C20 C15 C16 117.7(2) . .
C20 C15 C8 122.32(18) . .
C16 C15 C8 119.77(19) . .
C17 C16 C15 121.1(2) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C18 C17 C16 120.4(2) . .
C18 C17 K1 79.90(15) . 2_676
C16 C17 K1 94.14(15) . 2_676
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
K1 C17 H17 96.0 2_676 .
C19 C18 C17 119.0(2) . .
C19 C18 K1 96.18(16) . 2_676
C17 C18 K1 75.42(14) . 2_676
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
K1 C18 H18 98.2 2_676 .
C18 C19 C20 120.9(2) . .
C18 C19 H19 119.5 . .
C20 C19 H19 119.5 . .
C15 C20 C19 120.8(2) . .
C15 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C6 C21 C28 114.43(16) . .
C6 C21 C22 111.48(16) . .
C28 C21 C22 110.13(15) . .
C6 C21 H21 106.8 . .
C28 C21 H21 106.8 . .
C22 C21 H21 106.8 . .
C23 C22 C27 117.91(18) . .
C23 C22 C21 121.94(17) . .
C27 C22 C21 120.16(17) . .
C24 C23 C22 120.89(19) . .
C24 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
C25 C24 C23 120.35(19) . .
C25 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C26 C25 C24 119.5(2) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C25 C26 C27 119.9(2) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C26 C27 C22 121.35(18) . .
C26 C27 H27 119.3 . .
C22 C27 H27 119.3 . .
C29 C28 C33 117.7(2) . .
C29 C28 C21 123.85(19) . .
C33 C28 C21 118.46(19) . .
C29 C28 K1 74.57(12) . .
C33 C28 K1 75.85(11) . .
C21 C28 K1 119.87(11) . .
C28 C29 C30 120.7(2) . .
C28 C29 K1 81.20(12) . .
C30 C29 K1 74.70(13) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
K1 C29 H29 114.9 . .
C31 C30 C29 120.4(2) . .
C31 C30 K1 77.47(14) . .
C29 C30 K1 80.41(13) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
K1 C30 H30 112.7 . .
C30 C31 C32 120.0(2) . .
C30 C31 K1 77.67(14) . .
C32 C31 K1 79.29(13) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
K1 C31 H31 113.5 . .
C33 C32 C31 119.4(2) . .
C33 C32 K1 80.38(12) . .
C31 C32 K1 75.81(13) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
K1 C32 H32 114.1 . .
C32 C33 C28 121.8(2) . .
C32 C33 K1 75.29(12) . .
C28 C33 K1 79.86(12) . .
C32 C33 H33 119.1 . .
C28 C33 H33 119.1 . .
K1 C33 H33 116.3 . .
Si1 C34 H34A 109.5 . .
Si1 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si1 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si1 C35 H35A 109.5 . .
Si1 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si1 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si1 C36 H36A 109.5 . .
Si1 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si1 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 C42 117.5(3) . .
C38 C37 C43 121.6(3) . .
C42 C37 C43 120.8(3) . .
C37 C38 C39 121.2(3) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
C40 C39 C38 120.3(3) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C39 C40 C41 119.5(3) . .
C39 C40 H40 120.2 . .
C41 C40 H40 120.2 . .
C40 C41 C42 120.4(3) . .
C40 C41 H41 119.8 . .
C42 C41 H41 119.8 . .
C41 C42 C37 121.1(3) . .
C41 C42 H42 119.5 . .
C37 C42 H42 119.5 . .
C37 C43 H43A 109.5 . .
C37 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C37 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 C31 3.196(2) .
K1 C17 3.198(3) 2_676
K1 C30 3.199(2) .
K1 C32 3.240(2) .
K1 C18 3.254(3) 2_676
K1 C29 3.270(2) .
K1 C33 3.302(2) .
K1 C28 3.352(2) .
K1 Al1 3.3551(8) 2_676
K1 Al1 3.4724(8) .
K1 K1 4.7190(10) 2_676
K1 H2A 2.67(2) .
K1 H3A 2.99(2) .
Si1 N1 1.7246(16) .
Si1 C34 1.861(2) .
Si1 C36 1.871(2) .
Si1 C35 1.878(2) .
Al1 N1 1.8531(17) .
Al1 K1 3.3551(8) 2_676
Al1 H1A 1.53(2) .
Al1 H2A 1.55(2) .
Al1 H3A 1.56(2) .
N1 C1 1.432(2) .
C1 C2 1.410(3) .
C1 C6 1.420(3) .
C2 C3 1.391(3) .
C2 C8 1.530(3) .
C3 C4 1.387(3) .
C3 H3 0.9500 .
C4 C5 1.384(3) .
C4 C7 1.512(3) .
C5 C6 1.394(3) .
C5 H5 0.9500 .
C6 C21 1.523(3) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C15 1.525(3) .
C8 C9 1.538(3) .
C8 H8 1.0000 .
C9 C14 1.380(3) .
C9 C10 1.396(3) .
C10 C11 1.383(3) .
C10 H10 0.9500 .
C11 C12 1.379(3) .
C11 H11 0.9500 .
C12 C13 1.374(3) .
C12 H12 0.9500 .
C13 C14 1.394(3) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C20 1.386(3) .
C15 C16 1.391(3) .
C16 C17 1.388(3) .
C16 H16 0.9500 .
C17 C18 1.380(4) .
C17 K1 3.198(3) 2_676
C17 H17 0.9500 .
C18 C19 1.369(3) .
C18 K1 3.254(3) 2_676
C18 H18 0.9500 .
C19 C20 1.389(3) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C28 1.532(3) .
C21 C22 1.534(3) .
C21 H21 1.0000 .
C22 C23 1.390(3) .
C22 C27 1.392(3) .
C23 C24 1.390(3) .
C23 H23 0.9500 .
C24 C25 1.383(3) .
C24 H24 0.9500 .
C25 C26 1.381(3) .
C25 H25 0.9500 .
C26 C27 1.389(3) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.392(3) .
C28 C33 1.401(3) .
C29 C30 1.395(3) .
C29 H29 0.9500 .
C30 C31 1.377(4) .
C30 H30 0.9500 .
C31 C32 1.388(4) .
C31 H31 0.9500 .
C32 C33 1.380(3) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.368(4) .
C37 C42 1.373(4) .
C37 C43 1.496(4) .
C38 C39 1.378(5) .
C38 H38 0.9500 .
C39 C40 1.346(5) .
C39 H39 0.9500 .
C40 C41 1.361(4) .
C40 H40 0.9500 .
C41 C42 1.368(4) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139138129
