#------------------------------------------------------------------------------
#$Date: 2022-06-02 01:02:11 +0300 (Thu, 02 Jun 2022) $
#$Revision: 275723 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/01/7130183.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_7130183
loop_
_publ_author_name
'Liu, Han-Ying'
'Hill, Michael S.'
'Mahon, Mary F.'
_publ_section_title
;
 Diverse reactivity of an Al(I)-centred anion towards ketones.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d2cc02333d
_journal_year                    2022
_chemical_formula_moiety         'C37 H64 Al K N2 O Si2, 0.5(C6 H6)'
_chemical_formula_sum            'C40 H67 Al K N2 O Si2'
_chemical_formula_weight         714.21
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-12-03
_audit_creation_method
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_audit_update_record
;
2022-04-19 deposited with the CCDC.	2022-05-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.35550(10)
_cell_length_b                   23.00870(10)
_cell_length_c                   18.34080(10)
_cell_measurement_reflns_used    44961
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.9000
_cell_measurement_theta_min      4.5330
_cell_volume                     8589.98(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            112622
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.967
_diffrn_reflns_theta_min         3.770
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.035
_exptl_absorpt_correction_T_max  0.556
_exptl_absorpt_correction_T_min  0.112
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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_colour_primary    colourless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_description       block
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.209
_exptl_crystal_size_mid          0.163
_exptl_crystal_size_min          0.104
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         8574
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0443
_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)+(0.0762P)²+3.4785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1289
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7920
_reflns_number_total             8574
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc02333d2.cif
_cod_data_source_block           s21msh66-cpd13
_cod_database_code               7130183
_shelxl_version_number           2014-3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C14-H27 \\sim C14-H30 \\sim C14-H29 \\sim C11-H50
 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
C38A \\sim C38 \\sim C39 \\sim C40 \\sim C39A \\sim C40A: within 2A with sigma
of 0.02 and sigma for terminal atoms of 0.01 within 2A
4. Others
 Fixed Sof: C38(0.5) H35(0.5) C39(0.5) H8(0.5) C40(0.5) H11(0.5) C40A(0.5)
 H13(0.5) C39A(0.5) H15(0.5) C38A(0.5) H17(0.5)
5.a Ternary CH refined with riding coordinates:
 C28(H37), C10(H43), C25(H9), C7(H7), C35(H6)
5.b Secondary CH2 refined with riding coordinates:
 C15(H63,H57), C16(H64,H49)
5.c Aromatic/amide H refined with riding coordinates:
 C5(H21), C23(H41), C4(H34), C3(H59), C21(H20), C22(H48), C38(H35), C39(H8),
 C40(H11), C40A(H13), C39A(H15), C38A(H17)
5.d Fitted hexagon refined as free rotating group:
 C38(C39,C40,C40A,C39A,C38A)
5.e Idealised Me refined as rotating group:
 C17(H4,H16,H10), C18(H33,H47,H62), C13(H45,H56,H58), C26(H67,H68,H70),
 C27(H19,H28,H24), C12(H2,H36,H22), C30(H25,H53,H18), C29(H51,H12,H42), C34(H5,
 H23,H61), C11(H54,H44,H50), C9(H3,H40,H32), C36(H52,H39,H55), C33(H65,H31,H66),
  C8(H14,H69,H60), C37(H71,H46,H26)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, 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
K1 K 0.78131(2) 0.57018(2) 0.13082(2) 0.04788(12) Uani 1 1 d . . . . .
Al1 Al 0.76406(2) 0.40286(2) 0.42209(2) 0.02839(12) Uani 1 1 d . . . . .
Si2 Si 0.82465(3) 0.27580(2) 0.38909(2) 0.03903(13) Uani 1 1 d . . . . .
Si1 Si 0.86504(2) 0.41577(2) 0.28456(3) 0.04003(13) Uani 1 1 d . . . . .
O1 O 0.67910(6) 0.39955(6) 0.41764(7) 0.0440(3) Uani 1 1 d . . . . .
N2 N 0.80434(7) 0.33238(5) 0.44667(7) 0.0312(3) Uani 1 1 d . . . . .
N1 N 0.79371(7) 0.43098(5) 0.33178(7) 0.0306(3) Uani 1 1 d . . . . .
C19 C 0.81630(8) 0.32358(6) 0.52292(8) 0.0332(3) Uani 1 1 d . . . . .
C1 C 0.75595(8) 0.47890(7) 0.30448(8) 0.0315(3) Uani 1 1 d . . . . .
C6 C 0.70155(8) 0.46912(7) 0.25790(8) 0.0341(3) Uani 1 1 d . . . . .
C24 C 0.76721(9) 0.29927(7) 0.56866(9) 0.0373(4) Uani 1 1 d . . . . .
C5 C 0.66528(9) 0.51683(8) 0.23317(9) 0.0406(4) Uani 1 1 d . . . . .
H21 H 0.6291 0.5104 0.2014 0.049 Uiso 1 1 calc R U . . .
C20 C 0.87750(9) 0.33876(7) 0.55429(9) 0.0386(4) Uani 1 1 d . . . . .
C28 C 0.69924(10) 0.28344(8) 0.54101(9) 0.0419(4) Uani 1 1 d . . . . .
H37 H 0.6946 0.2995 0.4906 0.050 Uiso 1 1 calc R U . . .
C2 C 0.77189(9) 0.53662(7) 0.32411(10) 0.0412(4) Uani 1 1 d . . . . .
C23 C 0.78144(11) 0.28860(8) 0.64187(10) 0.0461(4) Uani 1 1 d . . . . .
H41 H 0.7487 0.2717 0.6720 0.055 Uiso 1 1 calc R U . . .
C4 C 0.68039(10) 0.57311(8) 0.25344(10) 0.0464(4) Uani 1 1 d . . . . .
H34 H 0.6545 0.6048 0.2367 0.056 Uiso 1 1 calc R U . . .
C31 C 0.61588(9) 0.40765(9) 0.43706(9) 0.0430(4) Uani 1 1 d . . . . .
C10 C 0.67983(10) 0.40824(8) 0.23617(10) 0.0448(4) Uani 1 1 d . . . . .
H43 H 0.6987 0.3805 0.2726 0.054 Uiso 1 1 calc R U . . .
C25 C 0.93157(9) 0.36716(9) 0.50994(10) 0.0448(4) Uani 1 1 d . . . . .
H9 H 0.9150 0.3715 0.4589 0.054 Uiso 1 1 calc R U . . .
C3 C 0.73365(11) 0.58264(8) 0.29846(11) 0.0485(4) Uani 1 1 d . . . . .
H59 H 0.7445 0.6213 0.3122 0.058 Uiso 1 1 calc R U . . .
C17 C 0.75154(13) 0.25131(8) 0.33533(11) 0.0544(5) Uani 1 1 d . . . . .
H4 H 0.7187 0.2347 0.3684 0.082 Uiso 1 1 calc R U . . .
H16 H 0.7652 0.2218 0.2999 0.082 Uiso 1 1 calc R U . . .
H10 H 0.7325 0.2846 0.3096 0.082 Uiso 1 1 calc R U . . .
C21 C 0.88884(11) 0.32730(9) 0.62836(10) 0.0477(4) Uani 1 1 d . . . . .
H20 H 0.9301 0.3373 0.6491 0.057 Uiso 1 1 calc R U . . .
C18 C 0.85837(12) 0.21228(8) 0.44138(11) 0.0534(5) Uani 1 1 d . . . . .
H33 H 0.9006 0.2230 0.4633 0.080 Uiso 1 1 calc R U . . .
H47 H 0.8647 0.1793 0.4082 0.080 Uiso 1 1 calc R U . . .
H62 H 0.8274 0.2013 0.4799 0.080 Uiso 1 1 calc R U . . .
C22 C 0.84168(12) 0.30196(9) 0.67159(10) 0.0516(5) Uani 1 1 d . . . . .
H48 H 0.8506 0.2938 0.7214 0.062 Uiso 1 1 calc R U . . .
C32 C 0.57065(10) 0.36634(11) 0.42609(11) 0.0537(5) Uani 1 1 d . . . . .
C15 C 0.87245(12) 0.33746(9) 0.25867(10) 0.0542(5) Uani 1 1 d . . . . .
H63 H 0.8303 0.3252 0.2366 0.065 Uiso 1 1 calc R U . . .
H57 H 0.9065 0.3342 0.2204 0.065 Uiso 1 1 calc R U . . .
C16 C 0.88973(12) 0.29385(9) 0.32030(11) 0.0540(5) Uani 1 1 d . . . . .
H64 H 0.9281 0.3095 0.3470 0.065 Uiso 1 1 calc R U . . .
H49 H 0.9038 0.2571 0.2971 0.065 Uiso 1 1 calc R U . . .
C13 C 0.94322(10) 0.43656(11) 0.33305(13) 0.0602(6) Uani 1 1 d . . . . .
H45 H 0.9563 0.4758 0.3184 0.090 Uiso 1 1 calc R U . . .
H56 H 0.9781 0.4090 0.3201 0.090 Uiso 1 1 calc R U . . .
H58 H 0.9360 0.4356 0.3859 0.090 Uiso 1 1 calc R U . . .
C14 C 0.86762(10) 0.45876(11) 0.19675(12) 0.0553(5) Uani 1 1 d D . . . .
C7 C 0.82830(13) 0.55104(9) 0.37526(13) 0.0590(6) Uani 1 1 d . . . . .
H7 H 0.8506 0.5137 0.3881 0.071 Uiso 1 1 calc R U . . .
C26 C 0.99374(12) 0.33000(11) 0.50669(15) 0.0635(6) Uani 1 1 d . . . . .
H67 H 1.0262 0.3489 0.4752 0.095 Uiso 1 1 calc R U . . .
H68 H 0.9829 0.2916 0.4869 0.095 Uiso 1 1 calc R U . . .
H70 H 1.0119 0.3257 0.5559 0.095 Uiso 1 1 calc R U . . .
C27 C 0.94738(12) 0.42814(9) 0.53850(14) 0.0576(5) Uani 1 1 d . . . . .
H19 H 0.9602 0.4257 0.5899 0.086 Uiso 1 1 calc R U . . .
H28 H 0.9085 0.4529 0.5338 0.086 Uiso 1 1 calc R U . . .
H24 H 0.9836 0.4448 0.5101 0.086 Uiso 1 1 calc R U . . .
C12 C 0.60527(12) 0.40128(11) 0.23771(12) 0.0590(5) Uani 1 1 d . . . . .
H2 H 0.5857 0.4241 0.1981 0.088 Uiso 1 1 calc R U . . .
H36 H 0.5883 0.4151 0.2846 0.088 Uiso 1 1 calc R U . . .
H22 H 0.5939 0.3602 0.2314 0.088 Uiso 1 1 calc R U . . .
C35 C 0.59905(11) 0.46643(11) 0.46972(11) 0.0545(5) Uani 1 1 d . . . . .
H6 H 0.5500 0.4689 0.4720 0.065 Uiso 1 1 calc R U . . .
C30 C 0.69002(13) 0.21779(9) 0.53655(16) 0.0657(6) Uani 1 1 d . . . . .
H25 H 0.7232 0.2012 0.5039 0.099 Uiso 1 1 calc R U . . .
H53 H 0.6461 0.2091 0.5176 0.099 Uiso 1 1 calc R U . . .
H18 H 0.6949 0.2008 0.5853 0.099 Uiso 1 1 calc R U . . .
C29 C 0.64459(11) 0.30908(11) 0.58760(12) 0.0578(5) Uani 1 1 d . . . . .
H51 H 0.6474 0.2933 0.6371 0.087 Uiso 1 1 calc R U . . .
H12 H 0.6019 0.2990 0.5663 0.087 Uiso 1 1 calc R U . . .
H42 H 0.6492 0.3515 0.5893 0.087 Uiso 1 1 calc R U . . .
C34 C 0.58799(13) 0.30959(12) 0.39025(13) 0.0673(6) Uani 1 1 d . . . . .
H5 H 0.6334 0.3112 0.3726 0.101 Uiso 1 1 calc R U . . .
H23 H 0.5583 0.3026 0.3491 0.101 Uiso 1 1 calc R U . . .
H61 H 0.5836 0.2780 0.4257 0.101 Uiso 1 1 calc R U . . .
C11 C 0.70472(13) 0.39026(11) 0.16117(15) 0.0659(6) Uani 1 1 d D . . . .
H54 H 0.6857 0.3526 0.1479 0.099 Uiso 1 1 calc R U . . .
H44 H 0.7527 0.3871 0.1623 0.099 Uiso 1 1 calc R U . . .
H50 H 0.6917 0.4195 0.1251 0.099 Uiso 1 1 calc DR U . . .
C9 C 0.87956(16) 0.59033(13) 0.3378(2) 0.0921(11) Uani 1 1 d . . . . .
H3 H 0.9167 0.5966 0.3708 0.138 Uiso 1 1 calc R U . . .
H40 H 0.8594 0.6278 0.3258 0.138 Uiso 1 1 calc R U . . .
H32 H 0.8951 0.5716 0.2930 0.138 Uiso 1 1 calc R U . . .
C36 C 0.62399(18) 0.47359(11) 0.54611(12) 0.0764(8) Uani 1 1 d . . . . .
H52 H 0.6052 0.4432 0.5772 0.115 Uiso 1 1 calc R U . . .
H39 H 0.6111 0.5118 0.5647 0.115 Uiso 1 1 calc R U . . .
H55 H 0.6720 0.4704 0.5463 0.115 Uiso 1 1 calc R U . . .
C33 C 0.49948(12) 0.37144(17) 0.44767(16) 0.0879(10) Uani 1 1 d . . . . .
H65 H 0.4894 0.3426 0.4854 0.132 Uiso 1 1 calc R U . . .
H31 H 0.4716 0.3645 0.4050 0.132 Uiso 1 1 calc R U . . .
H66 H 0.4911 0.4105 0.4667 0.132 Uiso 1 1 calc R U . . .
C8 C 0.8041(2) 0.57857(11) 0.44631(16) 0.0904(11) Uani 1 1 d . . . . .
H14 H 0.8417 0.5862 0.4783 0.136 Uiso 1 1 calc R U . . .
H69 H 0.7736 0.5520 0.4707 0.136 Uiso 1 1 calc R U . . .
H60 H 0.7816 0.6152 0.4354 0.136 Uiso 1 1 calc R U . . .
C38 C 0.5021(5) 0.56112(18) 0.2250(5) 0.077(3) Uani 0.5 1 d G U P A -1
H35 H 0.5028 0.5257 0.1984 0.093 Uiso 0.5 1 calc R U P A -1
C39 C 0.5031(4) 0.6139(3) 0.1881(3) 0.076(2) Uani 0.5 1 d G U P A -1
H8 H 0.5045 0.6145 0.1363 0.091 Uiso 0.5 1 calc R U P A -1
C40 C 0.5021(6) 0.66574(18) 0.2270(4) 0.081(4) Uani 0.5 1 d G U P A -1
H11 H 0.5028 0.7018 0.2018 0.097 Uiso 0.5 1 calc R U P A -1
C40A C 0.5001(7) 0.6648(2) 0.3027(4) 0.079(3) Uani 0.5 1 d G U P A -1
H13 H 0.4994 0.7002 0.3293 0.095 Uiso 0.5 1 calc R U P A -1
C39A C 0.4991(5) 0.6120(4) 0.3396(3) 0.097(3) Uani 0.5 1 d G U P A -1
H15 H 0.4977 0.6114 0.3914 0.117 Uiso 0.5 1 calc R U P A -1
C38A C 0.5001(6) 0.5602(2) 0.3007(5) 0.108(4) Uani 0.5 1 d G U P A -1
H17 H 0.4994 0.5241 0.3259 0.129 Uiso 0.5 1 calc R U P A -1
C37 C 0.6221(2) 0.51627(13) 0.42469(15) 0.1063(14) Uani 1 1 d . . . . .
H71 H 0.6698 0.5136 0.4181 0.159 Uiso 1 1 calc R U . . .
H46 H 0.6113 0.5528 0.4494 0.159 Uiso 1 1 calc R U . . .
H26 H 0.6005 0.5152 0.3770 0.159 Uiso 1 1 calc R U . . .
H1 H 0.7823(9) 0.4480(8) 0.4954(10) 0.030(4) Uiso 1 1 d . . . . .
H30 H 0.8280(8) 0.4551(11) 0.1668(12) 0.064(7) Uiso 1 1 d D . . . .
H29 H 0.9057(9) 0.4435(12) 0.1705(15) 0.082(9) Uiso 1 1 d D . . . .
H27 H 0.8733(14) 0.4999(4) 0.2089(16) 0.077(8) Uiso 1 1 d 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'
K K 0.3868 1.0657 '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'
O O 0.0492 0.0322 '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
Al1 K1 H30 113.6(4) 7_565 . ?
Al1 K1 H27 129.9(5) 7_565 . ?
C19 K1 Al1 45.24(3) 7_565 7_565 ?
C19 K1 C24 25.43(4) 7_565 7_565 ?
C19 K1 C5 143.09(5) 7_565 . ?
C19 K1 C23 44.07(4) 7_565 7_565 ?
C19 K1 C3 125.59(4) 7_565 . ?
C19 K1 C22 51.41(4) 7_565 7_565 ?
C19 K1 H30 139.7(5) 7_565 . ?
C19 K1 H27 126.3(5) 7_565 . ?
C24 K1 Al1 59.75(3) 7_565 7_565 ?
C24 K1 C5 119.35(5) 7_565 . ?
C24 K1 C23 24.86(4) 7_565 7_565 ?
C24 K1 C3 103.10(4) 7_565 . ?
C24 K1 C22 43.74(5) 7_565 7_565 ?
C24 K1 H30 164.4(5) 7_565 . ?
C24 K1 H27 139.7(3) 7_565 . ?
C5 K1 Al1 124.14(3) . 7_565 ?
C5 K1 C22 118.62(5) . 7_565 ?
C5 K1 H30 76.2(5) . . ?
C5 K1 H27 88.5(6) . . ?
C20 K1 Al1 61.22(3) 7_565 7_565 ?
C20 K1 C19 25.49(4) 7_565 7_565 ?
C20 K1 C24 44.61(5) 7_565 7_565 ?
C20 K1 C5 160.98(5) 7_565 . ?
C20 K1 C23 51.09(5) 7_565 7_565 ?
C20 K1 C3 122.91(5) 7_565 . ?
C20 K1 C21 25.28(4) 7_565 7_565 ?
C20 K1 C22 44.01(5) 7_565 7_565 ?
C20 K1 H30 120.0(4) 7_565 . ?
C20 K1 H27 100.9(5) 7_565 . ?
C23 K1 Al1 84.39(3) 7_565 7_565 ?
C23 K1 C5 109.93(5) 7_565 . ?
C23 K1 C22 24.34(5) 7_565 7_565 ?
C23 K1 H30 154.2(2) 7_565 . ?
C23 K1 H27 122.2(2) 7_565 . ?
C4 K1 Al1 131.41(4) . 7_565 ?
C4 K1 C19 125.82(5) . 7_565 ?
C4 K1 C24 100.39(5) . 7_565 ?
C4 K1 C5 25.04(5) . . ?
C4 K1 C20 136.35(5) . 7_565 ?
C4 K1 C23 86.13(5) . 7_565 ?
C4 K1 C3 25.15(6) . . ?
C4 K1 C21 116.92(6) . 7_565 ?
C4 K1 C22 93.70(6) . 7_565 ?
C4 K1 H30 94.2(5) . . ?
C4 K1 H27 94.8(6) . . ?
C3 K1 Al1 153.22(4) . 7_565 ?
C3 K1 C5 43.00(5) . . ?
C3 K1 C23 81.53(5) . 7_565 ?
C3 K1 C22 79.40(5) . 7_565 ?
C3 K1 H30 87.9(5) . . ?
C3 K1 H27 76.7(6) . . ?
C21 K1 Al1 86.03(3) 7_565 7_565 ?
C21 K1 C19 44.40(4) 7_565 7_565 ?
C21 K1 C24 51.17(5) 7_565 7_565 ?
C21 K1 C5 141.03(5) 7_565 . ?
C21 K1 C23 43.01(5) 7_565 7_565 ?
C21 K1 C3 98.76(5) 7_565 . ?
C21 K1 C22 24.43(5) 7_565 7_565 ?
C21 K1 H30 116.8(3) 7_565 . ?
C21 K1 H27 88.6(4) 7_565 . ?
C22 K1 Al1 96.62(3) 7_565 7_565 ?
C22 K1 H30 130.3(2) 7_565 . ?
C22 K1 H27 98.5(2) 7_565 . ?
H30 K1 H27 32.0(3) . . ?
K1 Al1 H1 29.0(6) 7_566 . ?
O1 Al1 K1 98.24(5) . 7_566 ?
O1 Al1 N2 114.23(6) . . ?
O1 Al1 N1 107.12(6) . . ?
O1 Al1 H1 106.0(6) . . ?
N2 Al1 K1 82.05(4) . 7_566 ?
N2 Al1 N1 111.71(6) . . ?
N2 Al1 H1 103.8(6) . . ?
N1 Al1 K1 141.56(5) . 7_566 ?
N1 Al1 H1 114.0(6) . . ?
N2 Si2 C17 111.03(9) . . ?
N2 Si2 C18 111.22(8) . . ?
N2 Si2 C16 114.42(8) . . ?
C17 Si2 C18 108.98(10) . . ?
C17 Si2 C16 105.90(11) . . ?
C16 Si2 C18 104.93(10) . . ?
N1 Si1 C15 112.99(8) . . ?
N1 Si1 C13 114.96(9) . . ?
N1 Si1 C14 110.16(8) . . ?
C15 Si1 C13 107.23(11) . . ?
C15 Si1 C14 106.60(10) . . ?
C13 Si1 C14 104.22(10) . . ?
C31 O1 Al1 159.08(13) . . ?
Si2 N2 Al1 127.64(7) . . ?
C19 N2 Al1 115.56(10) . . ?
C19 N2 Si2 116.71(10) . . ?
Si1 N1 Al1 130.02(8) . . ?
C1 N1 Al1 113.61(10) . . ?
C1 N1 Si1 115.55(10) . . ?
N2 C19 K1 117.00(9) . 7_566 ?
C24 C19 K1 77.32(9) . 7_566 ?
C24 C19 N2 120.83(15) . . ?
C20 C19 K1 75.99(9) . 7_566 ?
C20 C19 N2 120.72(15) . . ?
C20 C19 C24 118.44(14) . . ?
C6 C1 N1 120.48(14) . . ?
C2 C1 N1 120.69(14) . . ?
C2 C1 C6 118.83(14) . . ?
C1 C6 C10 122.09(14) . . ?
C5 C6 C1 118.92(15) . . ?
C5 C6 C10 118.95(16) . . ?
C19 C24 K1 77.25(9) . 7_566 ?
C19 C24 C28 122.59(14) . . ?
C28 C24 K1 115.00(11) . 7_566 ?
C23 C24 K1 78.77(10) . 7_566 ?
C23 C24 C19 119.46(17) . . ?
C23 C24 C28 117.94(16) . . ?
K1 C5 H21 105.5 . . ?
C6 C5 K1 95.74(11) . . ?
C6 C5 H21 119.0 . . ?
C4 C5 K1 68.94(11) . . ?
C4 C5 C6 122.06(17) . . ?
C4 C5 H21 119.0 . . ?
C19 C20 K1 78.52(10) . 7_566 ?
C19 C20 C25 121.79(15) . . ?
C25 C20 K1 113.46(11) . 7_566 ?
C21 C20 K1 78.38(11) . 7_566 ?
C21 C20 C19 119.46(17) . . ?
C21 C20 C25 118.75(17) . . ?
C24 C28 H37 107.8 . . ?
C24 C28 C30 111.59(17) . . ?
C24 C28 C29 112.69(16) . . ?
C30 C28 H37 107.8 . . ?
C29 C28 H37 107.8 . . ?
C29 C28 C30 108.92(18) . . ?
C1 C2 C7 122.39(16) . . ?
C3 C2 C1 119.92(17) . . ?
C3 C2 C7 117.64(17) . . ?
K1 C23 H41 116.4 7_566 . ?
C24 C23 K1 76.37(10) . 7_566 ?
C24 C23 H41 119.1 . . ?
C22 C23 K1 78.61(12) . 7_566 ?
C22 C23 C24 121.79(18) . . ?
C22 C23 H41 119.1 . . ?
K1 C4 H34 98.7 . . ?
C5 C4 K1 86.02(11) . . ?
C5 C4 H34 120.5 . . ?
C3 C4 K1 85.15(13) . . ?
C3 C4 C5 118.99(16) . . ?
C3 C4 H34 120.5 . . ?
O1 C31 C35 116.27(17) . . ?
C32 C31 O1 121.26(19) . . ?
C32 C31 C35 122.45(19) . . ?
C6 C10 H43 107.6 . . ?
C6 C10 C12 112.37(17) . . ?
C6 C10 C11 112.94(17) . . ?
C12 C10 H43 107.6 . . ?
C11 C10 H43 107.6 . . ?
C11 C10 C12 108.60(17) . . ?
C20 C25 H9 107.4 . . ?
C20 C25 C26 112.37(17) . . ?
C20 C25 C27 111.33(17) . . ?
C26 C25 H9 107.4 . . ?
C26 C25 C27 110.60(18) . . ?
C27 C25 H9 107.4 . . ?
K1 C3 H59 105.4 . . ?
C2 C3 K1 94.93(12) . . ?
C2 C3 H59 119.4 . . ?
C4 C3 K1 69.71(11) . . ?
C4 C3 C2 121.27(18) . . ?
C4 C3 H59 119.4 . . ?
Si2 C17 H4 109.5 . . ?
Si2 C17 H16 109.5 . . ?
Si2 C17 H10 109.5 . . ?
H4 C17 H16 109.5 . . ?
H4 C17 H10 109.5 . . ?
H16 C17 H10 109.5 . . ?
K1 C21 H20 114.7 7_566 . ?
C20 C21 K1 76.35(11) . 7_566 ?
C20 C21 H20 119.2 . . ?
C22 C21 K1 80.09(13) . 7_566 ?
C22 C21 C20 121.56(18) . . ?
C22 C21 H20 119.2 . . ?
Si2 C18 H33 109.5 . . ?
Si2 C18 H47 109.5 . . ?
Si2 C18 H62 109.5 . . ?
H33 C18 H47 109.5 . . ?
H33 C18 H62 109.5 . . ?
H47 C18 H62 109.5 . . ?
K1 C22 H48 118.0 7_566 . ?
C23 C22 K1 77.05(12) . 7_566 ?
C23 C22 H48 120.4 . . ?
C21 C22 K1 75.48(12) . 7_566 ?
C21 C22 C23 119.22(17) . . ?
C21 C22 H48 120.4 . . ?
C31 C32 C34 121.38(19) . . ?
C31 C32 C33 124.5(3) . . ?
C34 C32 C33 114.1(2) . . ?
Si1 C15 H63 108.0 . . ?
Si1 C15 H57 108.0 . . ?
H63 C15 H57 107.3 . . ?
C16 C15 Si1 117.16(14) . . ?
C16 C15 H63 108.0 . . ?
C16 C15 H57 108.0 . . ?
Si2 C16 H64 107.8 . . ?
Si2 C16 H49 107.8 . . ?
C15 C16 Si2 118.22(14) . . ?
C15 C16 H64 107.8 . . ?
C15 C16 H49 107.8 . . ?
H64 C16 H49 107.1 . . ?
Si1 C13 H45 109.5 . . ?
Si1 C13 H56 109.5 . . ?
Si1 C13 H58 109.5 . . ?
H45 C13 H56 109.5 . . ?
H45 C13 H58 109.5 . . ?
H56 C13 H58 109.5 . . ?
Si1 C14 H30 114.2(16) . . ?
Si1 C14 H29 104.7(18) . . ?
Si1 C14 H27 108.4(18) . . ?
H30 C14 H29 110(2) . . ?
H30 C14 H27 108(2) . . ?
H29 C14 H27 111(2) . . ?
C2 C7 H7 107.5 . . ?
C2 C7 C9 111.37(19) . . ?
C2 C7 C8 111.9(2) . . ?
C9 C7 H7 107.5 . . ?
C8 C7 H7 107.5 . . ?
C8 C7 C9 110.7(2) . . ?
C25 C26 H67 109.5 . . ?
C25 C26 H68 109.5 . . ?
C25 C26 H70 109.5 . . ?
H67 C26 H68 109.5 . . ?
H67 C26 H70 109.5 . . ?
H68 C26 H70 109.5 . . ?
C25 C27 H19 109.5 . . ?
C25 C27 H28 109.5 . . ?
C25 C27 H24 109.5 . . ?
H19 C27 H28 109.5 . . ?
H19 C27 H24 109.5 . . ?
H28 C27 H24 109.5 . . ?
C10 C12 H2 109.5 . . ?
C10 C12 H36 109.5 . . ?
C10 C12 H22 109.5 . . ?
H2 C12 H36 109.5 . . ?
H2 C12 H22 109.5 . . ?
H36 C12 H22 109.5 . . ?
C31 C35 H6 107.0 . . ?
C36 C35 C31 112.97(18) . . ?
C36 C35 H6 107.0 . . ?
C37 C35 C31 113.32(18) . . ?
C37 C35 H6 107.0 . . ?
C37 C35 C36 109.1(3) . . ?
C28 C30 H25 109.5 . . ?
C28 C30 H53 109.5 . . ?
C28 C30 H18 109.5 . . ?
H25 C30 H53 109.5 . . ?
H25 C30 H18 109.5 . . ?
H53 C30 H18 109.5 . . ?
C28 C29 H51 109.5 . . ?
C28 C29 H12 109.5 . . ?
C28 C29 H42 109.5 . . ?
H51 C29 H12 109.5 . . ?
H51 C29 H42 109.5 . . ?
H12 C29 H42 109.5 . . ?
C32 C34 H5 109.5 . . ?
C32 C34 H23 109.5 . . ?
C32 C34 H61 109.5 . . ?
H5 C34 H23 109.5 . . ?
H5 C34 H61 109.5 . . ?
H23 C34 H61 109.5 . . ?
C10 C11 H54 109.5 . . ?
C10 C11 H44 109.5 . . ?
C10 C11 H50 109.5 . . ?
H54 C11 H44 109.5 . . ?
H54 C11 H50 109.5 . . ?
H44 C11 H50 109.5 . . ?
C7 C9 H3 109.5 . . ?
C7 C9 H40 109.5 . . ?
C7 C9 H32 109.5 . . ?
H3 C9 H40 109.5 . . ?
H3 C9 H32 109.5 . . ?
H40 C9 H32 109.5 . . ?
C35 C36 H52 109.5 . . ?
C35 C36 H39 109.5 . . ?
C35 C36 H55 109.5 . . ?
H52 C36 H39 109.5 . . ?
H52 C36 H55 109.5 . . ?
H39 C36 H55 109.5 . . ?
C32 C33 H65 109.5 . . ?
C32 C33 H31 109.5 . . ?
C32 C33 H66 109.5 . . ?
H65 C33 H31 109.5 . . ?
H65 C33 H66 109.5 . . ?
H31 C33 H66 109.5 . . ?
C7 C8 H14 109.5 . . ?
C7 C8 H69 109.5 . . ?
C7 C8 H60 109.5 . . ?
H14 C8 H69 109.5 . . ?
H14 C8 H60 109.5 . . ?
H69 C8 H60 109.5 . . ?
C39 C38 H35 120.0 . . ?
C39 C38 C38A 120.0 . . ?
C38A C38 H35 120.0 . . ?
C38 C39 H8 120.0 . . ?
C38 C39 C40 120.0 . . ?
C40 C39 H8 120.0 . . ?
C39 C40 H11 120.0 . . ?
C40A C40 C39 120.0 . . ?
C40A C40 H11 120.0 . . ?
C40 C40A H13 120.0 . . ?
C40 C40A C39A 120.0 . . ?
C39A C40A H13 120.0 . . ?
C40A C39A H15 120.0 . . ?
C38A C39A C40A 120.0 . . ?
C38A C39A H15 120.0 . . ?
C38 C38A H17 120.0 . . ?
C39A C38A C38 120.0 . . ?
C39A C38A H17 120.0 . . ?
C35 C37 H71 109.5 . . ?
C35 C37 H46 109.5 . . ?
C35 C37 H26 109.5 . . ?
H71 C37 H46 109.5 . . ?
H71 C37 H26 109.5 . . ?
H46 C37 H26 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
K1 Al1 3.8940(6) 7_565 ?
K1 C19 3.2248(15) 7_565 ?
K1 C24 3.2256(16) 7_565 ?
K1 C5 3.2570(18) . ?
K1 C20 3.1927(18) 7_565 ?
K1 C23 3.2556(19) 7_565 ?
K1 C4 3.047(2) . ?
K1 C3 3.237(2) . ?
K1 C21 3.218(2) 7_565 ?
K1 C22 3.275(2) 7_565 ?
K1 H30 2.89(3) . ?
K1 H27 2.86(3) . ?
Al1 K1 3.8940(6) 7_566 ?
Al1 O1 1.7329(13) . ?
Al1 N2 1.8722(13) . ?
Al1 N1 1.8779(14) . ?
Al1 H1 1.739(19) . ?
Si2 N2 1.7265(13) . ?
Si2 C17 1.872(2) . ?
Si2 C18 1.8780(19) . ?
Si2 C16 1.876(2) . ?
Si1 N1 1.7264(14) . ?
Si1 C15 1.869(2) . ?
Si1 C13 1.885(2) . ?
Si1 C14 1.891(2) . ?
O1 C31 1.348(2) . ?
N2 C19 1.4339(19) . ?
N1 C1 1.4344(19) . ?
C19 K1 3.2247(15) 7_566 ?
C19 C24 1.420(2) . ?
C19 C20 1.416(2) . ?
C1 C6 1.416(2) . ?
C1 C2 1.414(2) . ?
C6 C5 1.399(2) . ?
C6 C10 1.522(2) . ?
C24 K1 3.2256(16) 7_566 ?
C24 C28 1.518(3) . ?
C24 C23 1.395(2) . ?
C5 H21 0.9500 . ?
C5 C4 1.382(3) . ?
C20 K1 3.1926(18) 7_566 ?
C20 C25 1.517(3) . ?
C20 C21 1.403(2) . ?
C28 H37 1.0000 . ?
C28 C30 1.524(3) . ?
C28 C29 1.522(3) . ?
C2 C3 1.396(3) . ?
C2 C7 1.519(3) . ?
C23 K1 3.2555(19) 7_566 ?
C23 H41 0.9500 . ?
C23 C22 1.377(3) . ?
C4 H34 0.9500 . ?
C4 C3 1.380(3) . ?
C31 C32 1.338(3) . ?
C31 C35 1.518(3) . ?
C10 H43 1.0000 . ?
C10 C12 1.526(3) . ?
C10 C11 1.523(3) . ?
C25 H9 1.0000 . ?
C25 C26 1.528(3) . ?
C25 C27 1.532(3) . ?
C3 H59 0.9500 . ?
C17 H4 0.9800 . ?
C17 H16 0.9800 . ?
C17 H10 0.9800 . ?
C21 K1 3.218(2) 7_566 ?
C21 H20 0.9500 . ?
C21 C22 1.375(3) . ?
C18 H33 0.9800 . ?
C18 H47 0.9800 . ?
C18 H62 0.9800 . ?
C22 K1 3.275(2) 7_566 ?
C22 H48 0.9500 . ?
C32 C34 1.504(4) . ?
C32 C33 1.506(3) . ?
C15 H63 0.9900 . ?
C15 H57 0.9900 . ?
C15 C16 1.552(3) . ?
C16 H64 0.9900 . ?
C16 H49 0.9900 . ?
C13 H45 0.9800 . ?
C13 H56 0.9800 . ?
C13 H58 0.9800 . ?
C14 H30 0.979(5) . ?
C14 H29 0.978(5) . ?
C14 H27 0.979(5) . ?
C7 H7 1.0000 . ?
C7 C9 1.542(4) . ?
C7 C8 1.530(4) . ?
C26 H67 0.9800 . ?
C26 H68 0.9800 . ?
C26 H70 0.9800 . ?
C27 H19 0.9800 . ?
C27 H28 0.9800 . ?
C27 H24 0.9800 . ?
C12 H2 0.9800 . ?
C12 H36 0.9800 . ?
C12 H22 0.9800 . ?
C35 H6 1.0000 . ?
C35 C36 1.499(3) . ?
C35 C37 1.489(4) . ?
C30 H25 0.9800 . ?
C30 H53 0.9800 . ?
C30 H18 0.9800 . ?
C29 H51 0.9800 . ?
C29 H12 0.9800 . ?
C29 H42 0.9800 . ?
C34 H5 0.9800 . ?
C34 H23 0.9800 . ?
C34 H61 0.9800 . ?
C11 H54 0.9800 . ?
C11 H44 0.9800 . ?
C11 H50 0.9800 . ?
C9 H3 0.9800 . ?
C9 H40 0.9800 . ?
C9 H32 0.9800 . ?
C36 H52 0.9800 . ?
C36 H39 0.9800 . ?
C36 H55 0.9800 . ?
C33 H65 0.9800 . ?
C33 H31 0.9800 . ?
C33 H66 0.9800 . ?
C8 H14 0.9800 . ?
C8 H69 0.9800 . ?
C8 H60 0.9800 . ?
C38 H35 0.9500 . ?
C38 C39 1.3900 . ?
C38 C38A 1.3900 . ?
C39 H8 0.9500 . ?
C39 C40 1.3900 . ?
C40 H11 0.9500 . ?
C40 C40A 1.3900 . ?
C40A H13 0.9500 . ?
C40A C39A 1.3900 . ?
C39A H15 0.9500 . ?
C39A C38A 1.3900 . ?
C38A H17 0.9500 . ?
C37 H71 0.9800 . ?
C37 H46 0.9800 . ?
C37 H26 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
K1 Al1 O1 C31 21.2(4) 7_566 . . . ?
K1 Al1 N2 Si2 179.64(10) 7_566 . . . ?
K1 Al1 N2 C19 3.27(11) 7_566 . . . ?
K1 Al1 N1 Si1 83.48(11) 7_566 . . . ?
K1 Al1 N1 C1 -85.50(12) 7_566 . . . ?
K1 C19 C24 C28 111.69(15) 7_566 . . . ?
K1 C19 C24 C23 -69.07(15) 7_566 . . . ?
K1 C19 C20 C25 -110.62(16) 7_566 . . . ?
K1 C19 C20 C21 69.46(16) 7_566 . . . ?
K1 C24 C28 C30 -161.08(14) 7_566 . . . ?
K1 C24 C28 C29 -38.16(18) 7_566 . . . ?
K1 C24 C23 C22 -67.09(19) 7_566 . . . ?
K1 C5 C4 C3 -82.22(18) . . . . ?
K1 C20 C25 C26 150.80(14) 7_566 . . . ?
K1 C20 C25 C27 26.11(18) 7_566 . . . ?
K1 C20 C21 C22 69.08(19) 7_566 . . . ?
K1 C23 C22 C21 -64.95(19) 7_566 . . . ?
K1 C4 C3 C2 -83.26(19) . . . . ?
K1 C21 C22 C23 65.79(19) 7_566 . . . ?
Al1 O1 C31 C32 -141.9(3) . . . . ?
Al1 O1 C31 C35 39.8(4) . . . . ?
Al1 N2 C19 K1 -4.39(15) . . . 7_566 ?
Al1 N2 C19 C24 86.60(16) . . . . ?
Al1 N2 C19 C20 -93.63(16) . . . . ?
Al1 N1 C1 C6 -91.65(15) . . . . ?
Al1 N1 C1 C2 87.69(17) . . . . ?
Si2 N2 C19 K1 178.82(6) . . . 7_566 ?
Si2 N2 C19 C24 -90.19(16) . . . . ?
Si2 N2 C19 C20 89.58(16) . . . . ?
Si1 N1 C1 C6 97.68(15) . . . . ?
Si1 N1 C1 C2 -82.97(17) . . . . ?
Si1 C15 C16 Si2 72.9(2) . . . . ?
O1 Al1 N2 Si2 84.15(11) . . . . ?
O1 Al1 N2 C19 -92.23(13) . . . . ?
O1 Al1 N1 Si1 -147.53(10) . . . . ?
O1 Al1 N1 C1 43.49(12) . . . . ?
O1 C31 C32 C34 -1.3(3) . . . . ?
O1 C31 C32 C33 178.6(2) . . . . ?
O1 C31 C35 C36 -73.5(3) . . . . ?
O1 C31 C35 C37 51.1(3) . . . . ?
N2 Al1 O1 C31 106.2(4) . . . . ?
N2 Al1 N1 Si1 -21.73(12) . . . . ?
N2 Al1 N1 C1 169.28(10) . . . . ?
N2 Si2 C16 C15 -68.7(2) . . . . ?
N2 C19 C24 K1 -114.06(13) . . . 7_566 ?
N2 C19 C24 C28 -2.4(2) . . . . ?
N2 C19 C24 C23 176.87(15) . . . . ?
N2 C19 C20 K1 113.33(13) . . . 7_566 ?
N2 C19 C20 C25 2.7(2) . . . . ?
N2 C19 C20 C21 -177.20(16) . . . . ?
N1 Al1 O1 C31 -129.5(4) . . . . ?
N1 Al1 N2 Si2 -37.63(12) . . . . ?
N1 Al1 N2 C19 145.99(11) . . . . ?
N1 Si1 C15 C16 -74.27(19) . . . . ?
N1 C1 C6 C5 179.09(14) . . . . ?
N1 C1 C6 C10 1.4(2) . . . . ?
N1 C1 C2 C3 -178.45(16) . . . . ?
N1 C1 C2 C7 -0.9(3) . . . . ?
C19 C24 C28 C30 108.4(2) . . . . ?
C19 C24 C28 C29 -128.68(18) . . . . ?
C19 C24 C23 K1 68.25(14) . . . 7_566 ?
C19 C24 C23 C22 1.2(3) . . . . ?
C19 C20 C25 C26 -118.41(19) . . . . ?
C19 C20 C25 C27 116.89(19) . . . . ?
C19 C20 C21 K1 -69.54(15) . . . 7_566 ?
C19 C20 C21 C22 -0.5(3) . . . . ?
C1 C6 C5 K1 67.91(14) . . . . ?
C1 C6 C5 C4 -0.8(3) . . . . ?
C1 C6 C10 C12 137.82(17) . . . . ?
C1 C6 C10 C11 -98.9(2) . . . . ?
C1 C2 C3 K1 -69.72(18) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C1 C2 C7 C9 120.4(2) . . . . ?
C1 C2 C7 C8 -115.1(2) . . . . ?
C6 C1 C2 C3 0.9(3) . . . . ?
C6 C1 C2 C7 178.45(18) . . . . ?
C6 C5 C4 K1 83.41(16) . . . . ?
C6 C5 C4 C3 1.2(3) . . . . ?
C24 C19 C20 K1 -66.90(13) . . . 7_566 ?
C24 C19 C20 C25 -177.51(15) . . . . ?
C24 C19 C20 C21 2.6(2) . . . . ?
C24 C23 C22 K1 65.95(18) . . . 7_566 ?
C24 C23 C22 C21 1.0(3) . . . . ?
C5 C6 C10 C12 -39.9(2) . . . . ?
C5 C6 C10 C11 83.4(2) . . . . ?
C5 C4 C3 K1 82.73(17) . . . . ?
C5 C4 C3 C2 -0.5(3) . . . . ?
C20 C19 C24 K1 66.17(13) . . . 7_566 ?
C20 C19 C24 C28 177.86(15) . . . . ?
C20 C19 C24 C23 -2.9(2) . . . . ?
C20 C21 C22 K1 -67.14(18) . . . 7_566 ?
C20 C21 C22 C23 -1.3(3) . . . . ?
C28 C24 C23 K1 -112.48(15) . . . 7_566 ?
C28 C24 C23 C22 -179.58(18) . . . . ?
C2 C1 C6 C5 -0.3(2) . . . . ?
C2 C1 C6 C10 -177.99(16) . . . . ?
C23 C24 C28 C30 -70.9(2) . . . . ?
C23 C24 C28 C29 52.1(2) . . . . ?
C10 C6 C5 K1 -114.29(14) . . . . ?
C10 C6 C5 C4 177.00(17) . . . . ?
C25 C20 C21 K1 110.53(15) . . . 7_566 ?
C25 C20 C21 C22 179.61(19) . . . . ?
C3 C2 C7 C9 -62.0(3) . . . . ?
C3 C2 C7 C8 62.5(3) . . . . ?
C17 Si2 N2 Al1 -54.10(13) . . . . ?
C17 Si2 N2 C19 122.24(13) . . . . ?
C17 Si2 C16 C15 53.95(19) . . . . ?
C21 C20 C25 C26 61.5(2) . . . . ?
C21 C20 C25 C27 -63.2(2) . . . . ?
C18 Si2 N2 Al1 -175.63(11) . . . . ?
C18 Si2 N2 C19 0.71(16) . . . . ?
C18 Si2 C16 C15 169.16(17) . . . . ?
C32 C31 C35 C36 108.2(3) . . . . ?
C32 C31 C35 C37 -127.2(3) . . . . ?
C15 Si1 N1 Al1 61.80(13) . . . . ?
C15 Si1 N1 C1 -129.39(12) . . . . ?
C16 Si2 N2 Al1 65.69(13) . . . . ?
C16 Si2 N2 C19 -117.97(13) . . . . ?
C13 Si1 N1 Al1 -61.74(13) . . . . ?
C13 Si1 N1 C1 107.07(13) . . . . ?
C13 Si1 C15 C16 53.43(19) . . . . ?
C14 Si1 N1 Al1 -179.10(12) . . . . ?
C14 Si1 N1 C1 -10.29(15) . . . . ?
C14 Si1 C15 C16 164.59(17) . . . . ?
C7 C2 C3 K1 112.62(17) . . . . ?
C7 C2 C3 C4 -178.2(2) . . . . ?
C35 C31 C32 C34 176.95(18) . . . . ?
C35 C31 C32 C33 -3.2(3) . . . . ?
C38 C39 C40 C40A 0.0 . . . . ?
C39 C38 C38A C39A 0.0 . . . . ?
C39 C40 C40A C39A 0.0 . . . . ?
C40 C40A C39A C38A 0.0 . . . . ?
C40A C39A C38A C38 0.0 . . . . ?
C38A C38 C39 C40 0.0 . . . . ?
