#------------------------------------------------------------------------------
#$Date: 2022-04-12 00:55:48 +0300 (Tue, 12 Apr 2022) $
#$Revision: 274451 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/99/7129957.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_7129957
loop_
_publ_author_name
'Evans, Matthew J.'
'Gardiner, Michael'
'Anker, Mathew David'
'Coles, Martyn P.'
_publ_section_title
;
 Extending Chain Growth Beyond C1 → C4 in CO Homologation:
 Aluminyl Promoted Formation of the [C5O5]5-- Ligand
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01554D
_journal_year                    2022
_chemical_formula_moiety
'C128 H200 Al4 K6 N10 O14 Si8, 2(C7 H8), 2.5 (C6 H16 N2)'
_chemical_formula_sum            'C157 H256 Al4 K6 N15 O14 Si8'
_chemical_formula_weight         3144.99
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2021-10-23T15:43:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-03-17 deposited with the CCDC.	2022-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.0291(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.48560(7)
_cell_length_b                   32.8594(2)
_cell_length_c                   36.3809(2)
_cell_measurement_reflns_used    49335
_cell_measurement_temperature    150(3)
_cell_measurement_theta_max      73.152
_cell_measurement_theta_min      4.207
_cell_measurement_wavelength     1.54184
_cell_volume                     18373.19(17)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0856
_diffrn_measured_fraction_theta_full 0.9793
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.004903
_diffrn_orient_matrix_UB_12      0.0250332
_diffrn_orient_matrix_UB_13      0.0360099
_diffrn_orient_matrix_UB_21      -0.0045501
_diffrn_orient_matrix_UB_22      0.0396361
_diffrn_orient_matrix_UB_23      -0.0227731
_diffrn_orient_matrix_UB_31      -0.0999876
_diffrn_orient_matrix_UB_32      -0.0005772
_diffrn_orient_matrix_UB_33      -0.0024098
_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  0.0313
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.99
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            148511
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.99
_diffrn_reflns_theta_full        73.8322
_diffrn_reflns_theta_max         73.3035
_diffrn_reflns_theta_min         3.5269
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.398
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.607
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
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            'dark purple'
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6772
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.159
_exptl_crystal_size_min          0.119
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1613
_refine_ls_number_reflns         36547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0663P)²+10.2785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1292
_reflns_number_gt                31728
_reflns_number_total             36547
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01554d2.cif
_cod_data_source_block           compound-2
_cod_original_cell_volume        18373.18(19)
_cod_database_code               7129957
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.49449(3) 0.41415(2) 0.72385(2) 0.03907(10) Uani 1 d . .
K2 K 0.36867(3) 0.38568(2) 0.91635(2) 0.03539(9) Uani 1 d . .
K3 K 0.48369(3) 0.29048(2) 0.86145(2) 0.03172(9) Uani 1 d . .
K4 K 0.22028(3) 0.31829(2) 0.83396(2) 0.03360(9) Uani 1 d . .
K5 K 0.33403(3) 0.23741(2) 0.79185(2) 0.03990(10) Uani 1 d . .
K6 K 0.20372(3) 0.17664(2) 0.95689(2) 0.03451(9) Uani 1 d . .
Si1 Si 0.77384(3) 0.44488(2) 0.83933(2) 0.03016(11) Uani 1 d . .
Si2 Si 0.67918(4) 0.51879(2) 0.86374(2) 0.03424(12) Uani 1 d . .
Si3 Si 0.14821(4) 0.39664(2) 0.64970(2) 0.04409(15) Uani 1 d . .
Si4 Si 0.07989(4) 0.44115(2) 0.71190(2) 0.04210(14) Uani 1 d . .
Si5 Si 0.08557(4) 0.33812(2) 1.04309(2) 0.04056(14) Uani 1 d . .
Si6 Si -0.03800(3) 0.30391(2) 0.97982(2) 0.03346(11) Uani 1 d . .
Si8 Si 0.61682(4) 0.16634(2) 0.98518(2) 0.05344(19) Uani 1 d . .
Al1 Al 0.57465(3) 0.44217(2) 0.82998(2) 0.02392(10) Uani 1 d . .
Al2 Al 0.24188(3) 0.38613(2) 0.72894(2) 0.02835(11) Uani 1 d . .
Al3 Al 0.15751(3) 0.29553(2) 0.97499(2) 0.02468(10) Uani 1 d . .
Al4 Al 0.44948(3) 0.18097(2) 0.93196(2) 0.02687(11) Uani 1 d . .
O1 O 0.76225(9) 0.49110(5) 0.85509(4) 0.0379(3) Uani 1 d . .
O2 O 0.08116(9) 0.42727(6) 0.66835(4) 0.0495(4) Uani 1 d . .
O3 O -0.00757(9) 0.32441(5) 1.02049(4) 0.0414(3) Uani 1 d . .
O4 O 0.60181(11) 0.11780(6) 0.97537(7) 0.0669(6) Uani 1 d . .
N1 N 0.67892(9) 0.43229(5) 0.81176(4) 0.0281(3) Uani 1 d . .
N2 N 0.58920(10) 0.48712(5) 0.86030(5) 0.0294(3) Uani 1 d . .
N3 N 0.24515(10) 0.39607(6) 0.67884(4) 0.0346(4) Uani 1 d . .
N4 N 0.13349(10) 0.40399(6) 0.73923(4) 0.0335(4) Uani 1 d . .
N5 N 0.16282(10) 0.33333(5) 1.01269(4) 0.0300(3) Uani 1 d . .
N6 N 0.04636(10) 0.27396(5) 0.96897(4) 0.0294(3) Uani 1 d . .
N7 N 0.56465(10) 0.19354(5) 0.94849(5) 0.0343(4) Uani 1 d . .
N8 N 0.43444(11) 0.12651(5) 0.94374(5) 0.0339(4) Uani 1 d . .
N9 N 0.42140(16) 0.17583(8) 0.75277(7) 0.0611(6) Uani 1 d . .
N10 N 0.23106(17) 0.19287(9) 0.73061(8) 0.0648(7) Uani 1 d . .
C1 C 0.67992(11) 0.41754(6) 0.77499(5) 0.0292(4) Uani 1 d . .
C2 C 0.68688(12) 0.44503(7) 0.74542(6) 0.0349(4) Uani 1 d . .
C3 C 0.68884(13) 0.42984(8) 0.70970(6) 0.0422(5) Uani 1 d . .
H3 H 0.6942 0.4483 0.69 0.051 Uiso 1 calc . .
C4 C 0.68312(14) 0.38867(9) 0.70226(6) 0.0453(5) Uani 1 d . .
H4 H 0.6845 0.3789 0.6778 0.054 Uiso 1 calc . .
C5 C 0.67532(13) 0.36175(8) 0.73095(6) 0.0392(5) Uani 1 d . .
H5 H 0.6705 0.3334 0.7258 0.047 Uiso 1 calc . .
C6 C 0.67430(11) 0.37531(7) 0.76729(5) 0.0313(4) Uani 1 d . .
C7 C 0.68797(13) 0.49066(7) 0.75139(7) 0.0404(5) Uani 1 d . .
H7 H 0.7002 0.4957 0.7786 0.048 Uiso 1 calc . .
C8 C 0.59763(15) 0.50867(8) 0.73792(8) 0.0507(6) Uani 1 d . .
H8A H 0.5828 0.503 0.7115 0.076 Uiso 1 calc . .
H8B H 0.5987 0.5382 0.742 0.076 Uiso 1 calc . .
H8C H 0.554 0.4963 0.7518 0.076 Uiso 1 calc . .
C9 C 0.75774(16) 0.51280(9) 0.73263(9) 0.0566(7) Uani 1 d . .
H9A H 0.8146 0.5004 0.7403 0.085 Uiso 1 calc . .
H9B H 0.7593 0.5415 0.7399 0.085 Uiso 1 calc . .
H9C H 0.744 0.5107 0.7057 0.085 Uiso 1 calc . .
C10 C 0.67323(12) 0.34386(6) 0.79803(6) 0.0321(4) Uani 1 d . .
H10 H 0.6609 0.3584 0.821 0.039 Uiso 1 calc . .
C11 C 0.60382(15) 0.31089(7) 0.78936(7) 0.0434(5) Uani 1 d . .
H11A H 0.5459 0.3233 0.7874 0.065 Uiso 1 calc . .
H11B H 0.6094 0.2906 0.8092 0.065 Uiso 1 calc . .
H11C H 0.6118 0.2977 0.7659 0.065 Uiso 1 calc . .
C12 C 0.76374(14) 0.32431(8) 0.80576(7) 0.0429(5) Uani 1 d . .
H12A H 0.7764 0.3091 0.7839 0.064 Uiso 1 calc . .
H12B H 0.7649 0.3057 0.8269 0.064 Uiso 1 calc . .
H12C H 0.8076 0.3456 0.8114 0.064 Uiso 1 calc . .
C13 C 0.79253(15) 0.41061(8) 0.88041(7) 0.0457(5) Uani 1 d . .
H13A H 0.8403 0.4213 0.8979 0.069 Uiso 1 calc . .
H13B H 0.8076 0.3833 0.8724 0.069 Uiso 1 calc . .
H13C H 0.7395 0.4092 0.8925 0.069 Uiso 1 calc . .
C14 C 0.86956(13) 0.44430(8) 0.81337(7) 0.0436(5) Uani 1 d . .
H14A H 0.8613 0.4644 0.7933 0.065 Uiso 1 calc . .
H14B H 0.876 0.4171 0.8029 0.065 Uiso 1 calc . .
H14C H 0.922 0.4511 0.8302 0.065 Uiso 1 calc . .
C15 C 0.70360(19) 0.54220(8) 0.91011(8) 0.0550(6) Uani 1 d . .
H15A H 0.7284 0.5216 0.9278 0.083 Uiso 1 calc . .
H15B H 0.6499 0.553 0.9181 0.083 Uiso 1 calc . .
H15C H 0.7454 0.5644 0.909 0.083 Uiso 1 calc . .
C16 C 0.67102(17) 0.56214(7) 0.83018(8) 0.0525(6) Uani 1 d . .
H16A H 0.7292 0.5732 0.8286 0.079 Uiso 1 calc . .
H16B H 0.6339 0.5834 0.8387 0.079 Uiso 1 calc . .
H16C H 0.6458 0.5525 0.8057 0.079 Uiso 1 calc . .
C17 C 0.51868(13) 0.49458(6) 0.88166(6) 0.0318(4) Uani 1 d . .
C18 C 0.52095(14) 0.47804(6) 0.91769(6) 0.0344(4) Uani 1 d . .
C19 C 0.44902(16) 0.48257(7) 0.93675(7) 0.0426(5) Uani 1 d . .
H19 H 0.4501 0.471 0.9607 0.051 Uiso 1 calc . .
C20 C 0.37581(17) 0.50367(8) 0.92149(8) 0.0503(6) Uani 1 d . .
H20 H 0.3266 0.5059 0.9346 0.06 Uiso 1 calc . .
C21 C 0.37506(16) 0.52143(8) 0.88700(8) 0.0477(5) Uani 1 d . .
H21 H 0.3256 0.5366 0.8769 0.057 Uiso 1 calc . .
C22 C 0.44559(14) 0.51751(7) 0.86670(7) 0.0386(4) Uani 1 d . .
C23 C 0.60104(14) 0.45639(6) 0.93672(6) 0.0355(4) Uani 1 d . .
H23 H 0.6495 0.4607 0.9213 0.043 Uiso 1 calc . .
C24 C 0.58705(16) 0.41047(6) 0.93986(6) 0.0410(5) Uani 1 d . .
H24A H 0.5416 0.4053 0.9558 0.062 Uiso 1 calc . .
H24B H 0.6414 0.3976 0.9506 0.062 Uiso 1 calc . .
H24C H 0.5692 0.3991 0.9152 0.062 Uiso 1 calc . .
C25 C 0.63035(18) 0.47365(8) 0.97551(7) 0.0494(6) Uani 1 d . .
H25A H 0.634 0.5034 0.9741 0.074 Uiso 1 calc . .
H25B H 0.6876 0.4625 0.9848 0.074 Uiso 1 calc . .
H25C H 0.5881 0.466 0.9923 0.074 Uiso 1 calc . .
C26 C 0.44216(16) 0.53958(8) 0.82986(8) 0.0481(6) Uani 1 d . .
H26 H 0.4973 0.5333 0.8193 0.058 Uiso 1 calc . .
C27 C 0.36681(18) 0.52598(10) 0.80159(8) 0.0603(7) Uani 1 d . .
H27A H 0.3711 0.4966 0.7973 0.091 Uiso 1 calc . .
H27B H 0.3693 0.5406 0.7782 0.091 Uiso 1 calc . .
H27C H 0.3116 0.532 0.811 0.091 Uiso 1 calc . .
C28 C 0.4393(2) 0.58586(9) 0.83591(11) 0.0684(8) Uani 1 d . .
H28A H 0.3838 0.5933 0.8445 0.103 Uiso 1 calc . .
H28B H 0.4448 0.5999 0.8125 0.103 Uiso 1 calc . .
H28C H 0.4874 0.5939 0.8545 0.103 Uiso 1 calc . .
C29 C 0.32626(12) 0.40010(8) 0.66448(5) 0.0392(5) Uani 1 d . .
C30 C 0.35794(14) 0.43865(9) 0.65592(6) 0.0476(6) Uani 1 d . .
C31 C 0.43849(16) 0.44180(11) 0.64227(7) 0.0589(8) Uani 1 d . .
H31 H 0.4594 0.4679 0.6365 0.071 Uiso 1 calc . .
C32 C 0.48803(15) 0.40792(12) 0.63706(7) 0.0627(9) Uani 1 d . .
H32 H 0.5424 0.4106 0.6277 0.075 Uiso 1 calc . .
C33 C 0.45759(15) 0.37023(11) 0.64561(6) 0.0574(7) Uani 1 d . .
H33 H 0.4918 0.3469 0.6422 0.069 Uiso 1 calc . .
C34 C 0.37734(14) 0.36534(9) 0.65930(6) 0.0441(5) Uani 1 d . .
C35 C 0.30958(17) 0.47730(10) 0.66265(8) 0.0589(7) Uani 1 d . .
H35 H 0.2496 0.4696 0.6676 0.071 Uiso 1 calc . .
C36 C 0.35392(19) 0.49919(10) 0.69708(11) 0.0702(9) Uani 1 d . .
H36A H 0.3556 0.4811 0.7186 0.105 Uiso 1 calc . .
H36B H 0.3211 0.5238 0.7015 0.105 Uiso 1 calc . .
H36C H 0.4134 0.5066 0.6932 0.105 Uiso 1 calc . .
C37 C 0.3006(2) 0.50608(14) 0.62900(13) 0.1003(16) Uani 1 d . .
H37A H 0.3577 0.5176 0.6259 0.151 Uiso 1 calc . .
H37B H 0.2602 0.5281 0.633 0.151 Uiso 1 calc . .
H37C H 0.2783 0.4908 0.6067 0.151 Uiso 1 calc . .
C38 C 0.34772(16) 0.32278(9) 0.66738(6) 0.0499(6) Uani 1 d . .
H38 H 0.2917 0.3252 0.6783 0.06 Uiso 1 calc . .
C39 C 0.4133(2) 0.30070(12) 0.69583(8) 0.0666(8) Uani 1 d . .
H39A H 0.4687 0.2975 0.6857 0.1 Uiso 1 calc . .
H39B H 0.3904 0.2738 0.7012 0.1 Uiso 1 calc . .
H39C H 0.4225 0.3167 0.7187 0.1 Uiso 1 calc . .
C40 C 0.3297(2) 0.29828(11) 0.63157(8) 0.0690(8) Uani 1 d . .
H40A H 0.2869 0.3127 0.6142 0.104 Uiso 1 calc . .
H40B H 0.3067 0.2715 0.6371 0.104 Uiso 1 calc . .
H40C H 0.3838 0.2949 0.6205 0.104 Uiso 1 calc . .
C41 C 0.16026(17) 0.41492(12) 0.60224(7) 0.0647(9) Uani 1 d . .
H41A H 0.1058 0.4104 0.586 0.097 Uiso 1 calc . .
H41B H 0.2075 0.4 0.5926 0.097 Uiso 1 calc . .
H41C H 0.1739 0.4441 0.6031 0.097 Uiso 1 calc . .
C42 C 0.10070(16) 0.34481(11) 0.64458(7) 0.0598(8) Uani 1 d . .
H42A H 0.105 0.3316 0.6689 0.09 Uiso 1 calc . .
H42B H 0.1326 0.3287 0.628 0.09 Uiso 1 calc . .
H42C H 0.0394 0.3467 0.6341 0.09 Uiso 1 calc . .
C43 C 0.13462(19) 0.49155(9) 0.71949(8) 0.0597(7) Uani 1 d . .
H43A H 0.1978 0.4876 0.724 0.09 Uiso 1 calc . .
H43B H 0.1145 0.5049 0.741 0.09 Uiso 1 calc . .
H43C H 0.1204 0.5086 0.6975 0.09 Uiso 1 calc . .
C44 C -0.03519(16) 0.44774(11) 0.72060(8) 0.0615(8) Uani 1 d . .
H44A H -0.0603 0.4714 0.7068 0.092 Uiso 1 calc . .
H44B H -0.0374 0.4519 0.7471 0.092 Uiso 1 calc . .
H44C H -0.0686 0.4234 0.7124 0.092 Uiso 1 calc . .
C45 C 0.09742(12) 0.38863(7) 0.77094(5) 0.0328(4) Uani 1 d . .
C46 C 0.12296(12) 0.40503(7) 0.80648(6) 0.0339(4) Uani 1 d . .
C47 C 0.08704(13) 0.38965(7) 0.83702(6) 0.0367(4) Uani 1 d . .
H47 H 0.1037 0.4013 0.8607 0.044 Uiso 1 calc . .
C48 C 0.02821(13) 0.35808(8) 0.83373(6) 0.0394(5) Uani 1 d . .
H48 H 0.0053 0.3477 0.8549 0.047 Uiso 1 calc . .
C49 C 0.00314(13) 0.34174(8) 0.79898(6) 0.0402(5) Uani 1 d . .
H49 H -0.0369 0.3197 0.7966 0.048 Uiso 1 calc . .
C50 C 0.03527(12) 0.35681(8) 0.76740(6) 0.0371(4) Uani 1 d . .
C51 C 0.18590(13) 0.44032(7) 0.81294(6) 0.0381(4) Uani 1 d . .
H51 H 0.2112 0.4456 0.7894 0.046 Uiso 1 calc . .
C52 C 0.26073(14) 0.43098(8) 0.84338(6) 0.0421(5) Uani 1 d . .
H52A H 0.2377 0.4279 0.8671 0.063 Uiso 1 calc . .
H52B H 0.3028 0.4534 0.8451 0.063 Uiso 1 calc . .
H52C H 0.2895 0.4057 0.8374 0.063 Uiso 1 calc . .
C53 C 0.13733(18) 0.47861(9) 0.82270(9) 0.0567(6) Uani 1 d . .
H53A H 0.0891 0.484 0.8032 0.085 Uiso 1 calc . .
H53B H 0.1774 0.5018 0.8247 0.085 Uiso 1 calc . .
H53C H 0.1144 0.4746 0.8464 0.085 Uiso 1 calc . .
C54 C 0.00097(14) 0.33812(9) 0.73011(6) 0.0480(6) Uani 1 d . .
H54 H 0.0232 0.3547 0.7102 0.058 Uiso 1 calc . .
C55 C 0.03378(17) 0.29484(10) 0.72710(8) 0.0605(7) Uani 1 d . .
H55A H 0.0975 0.2948 0.7302 0.091 Uiso 1 calc . .
H55B H 0.012 0.2837 0.7027 0.091 Uiso 1 calc . .
H55C H 0.0129 0.278 0.7464 0.091 Uiso 1 calc . .
C56 C -0.10004(16) 0.33850(12) 0.72336(8) 0.0634(8) Uani 1 d . .
H56A H -0.123 0.3177 0.7388 0.095 Uiso 1 calc . .
H56B H -0.1193 0.3327 0.6972 0.095 Uiso 1 calc . .
H56C H -0.1215 0.3653 0.7298 0.095 Uiso 1 calc . .
C57 C 0.23918(12) 0.35858(6) 1.01567(5) 0.0290(4) Uani 1 d . .
C58 C 0.31757(12) 0.34537(6) 1.03660(5) 0.0314(4) Uani 1 d . .
C59 C 0.39304(13) 0.36869(7) 1.03560(6) 0.0350(4) Uani 1 d . .
H59 H 0.4458 0.3599 1.0494 0.042 Uiso 1 calc . .
C60 C 0.39283(14) 0.40400(7) 1.01523(6) 0.0375(4) Uani 1 d . .
H60 H 0.4453 0.4187 1.0142 0.045 Uiso 1 calc . .
C61 C 0.31545(14) 0.41782(6) 0.99630(6) 0.0351(4) Uani 1 d . .
H61 H 0.3151 0.4425 0.9827 0.042 Uiso 1 calc . .
C62 C 0.23778(13) 0.39628(6) 0.99678(5) 0.0314(4) Uani 1 d . .
C63 C 0.32181(13) 0.30809(7) 1.06125(6) 0.0369(4) Uani 1 d . .
H63 H 0.2623 0.2958 1.0587 0.044 Uiso 1 calc . .
C64 C 0.34461(18) 0.32097(9) 1.10184(7) 0.0529(6) Uani 1 d . .
H64A H 0.4029 0.333 1.1053 0.079 Uiso 1 calc . .
H64B H 0.3434 0.2971 1.1179 0.079 Uiso 1 calc . .
H64C H 0.3021 0.341 1.1083 0.079 Uiso 1 calc . .
C65 C 0.38396(16) 0.27582(8) 1.05048(7) 0.0455(5) Uani 1 d . .
H65A H 0.3674 0.268 1.0246 0.068 Uiso 1 calc . .
H65B H 0.3813 0.2519 1.0664 0.068 Uiso 1 calc . .
H65C H 0.4433 0.2867 1.0534 0.068 Uiso 1 calc . .
C66 C 0.15436(14) 0.41446(7) 0.97742(6) 0.0369(4) Uani 1 d . .
H66 H 0.1049 0.3976 0.9842 0.044 Uiso 1 calc . .
C67 C 0.14002(18) 0.45828(8) 0.99005(7) 0.0516(6) Uani 1 d . .
H67A H 0.1431 0.459 1.0171 0.077 Uiso 1 calc . .
H67B H 0.0827 0.4678 0.979 0.077 Uiso 1 calc . .
H67C H 0.1852 0.476 0.9821 0.077 Uiso 1 calc . .
C68 C 0.15151(17) 0.41327(8) 0.93524(6) 0.0465(5) Uani 1 d . .
H68A H 0.1969 0.4311 0.9277 0.07 Uiso 1 calc . .
H68B H 0.0944 0.4226 0.9238 0.07 Uiso 1 calc . .
H68C H 0.1614 0.3853 0.9273 0.07 Uiso 1 calc . .
C69 C 0.07526(19) 0.39102(11) 1.05998(9) 0.0680(9) Uani 1 d . .
H69A H 0.046 0.4079 1.04 0.102 Uiso 1 calc . .
H69B H 0.1333 0.4021 1.068 0.102 Uiso 1 calc . .
H69C H 0.041 0.391 1.0809 0.102 Uiso 1 calc . .
C70 C 0.10411(18) 0.30490(13) 1.08496(7) 0.0703(10) Uani 1 d . .
H70A H 0.0523 0.3052 1.0979 0.105 Uiso 1 calc . .
H70B H 0.1542 0.315 1.1015 0.105 Uiso 1 calc . .
H70C H 0.1156 0.277 1.0774 0.105 Uiso 1 calc . .
C71 C -0.06049(16) 0.34635(8) 0.94619(8) 0.0503(6) Uani 1 d . .
H71A H -0.0982 0.3665 0.9562 0.075 Uiso 1 calc . .
H71B H -0.0896 0.3357 0.9227 0.075 Uiso 1 calc . .
H71C H -0.0056 0.3593 0.9419 0.075 Uiso 1 calc . .
C72 C -0.13898(13) 0.27406(8) 0.98244(7) 0.0458(5) Uani 1 d . .
H72A H -0.128 0.2532 1.0017 0.069 Uiso 1 calc . .
H72B H -0.1569 0.261 0.9585 0.069 Uiso 1 calc . .
H72C H -0.1853 0.2923 0.9885 0.069 Uiso 1 calc . .
C73 C 0.03225(11) 0.23265(6) 0.95774(5) 0.0296(4) Uani 1 d . .
C74 C 0.02580(12) 0.20169(7) 0.98447(6) 0.0364(4) Uani 1 d . .
C75 C 0.01121(14) 0.16150(8) 0.97289(7) 0.0460(6) Uani 1 d . .
H75 H 0.0064 0.1409 0.9909 0.055 Uiso 1 calc . .
C76 C 0.00364(14) 0.15093(7) 0.93591(8) 0.0484(6) Uani 1 d . .
H76 H -0.0068 0.1235 0.9285 0.058 Uiso 1 calc . .
C77 C 0.01140(13) 0.18082(7) 0.90969(7) 0.0416(5) Uani 1 d . .
H77 H 0.0074 0.1735 0.8843 0.05 Uiso 1 calc . .
C78 C 0.02493(12) 0.22161(7) 0.91981(6) 0.0327(4) Uani 1 d . .
C79 C 0.03849(14) 0.21102(9) 1.02568(6) 0.0447(5) Uani 1 d . .
H79 H 0.0294 0.2409 1.0288 0.054 Uiso 1 calc . .
C80 C -0.02488(17) 0.18844(12) 1.04754(8) 0.0653(9) Uani 1 d . .
H80A H -0.0844 0.1921 1.0353 0.098 Uiso 1 calc . .
H80B H -0.0205 0.1994 1.0728 0.098 Uiso 1 calc . .
H80C H -0.0104 0.1594 1.0485 0.098 Uiso 1 calc . .
C81 C 0.13282(15) 0.20087(10) 1.04178(7) 0.0533(7) Uani 1 d . .
H81A H 0.1434 0.1717 1.0389 0.08 Uiso 1 calc . .
H81B H 0.1418 0.208 1.0681 0.08 Uiso 1 calc . .
H81C H 0.1733 0.2164 1.0285 0.08 Uiso 1 calc . .
C82 C 0.02454(12) 0.25319(7) 0.88938(5) 0.0338(4) Uani 1 d . .
H82 H 0.0458 0.2794 0.9011 0.041 Uiso 1 calc . .
C83 C -0.06902(14) 0.25981(8) 0.87122(6) 0.0442(5) Uani 1 d . .
H83A H -0.091 0.2346 0.859 0.066 Uiso 1 calc . .
H83B H -0.07 0.2816 0.8528 0.066 Uiso 1 calc . .
H83C H -0.1058 0.2674 0.8902 0.066 Uiso 1 calc . .
C84 C 0.08347(15) 0.24232(9) 0.86005(7) 0.0461(5) Uani 1 d . .
H84A H 0.1442 0.2419 0.8714 0.069 Uiso 1 calc . .
H84B H 0.0765 0.2627 0.8402 0.069 Uiso 1 calc . .
H84C H 0.0675 0.2154 0.8497 0.069 Uiso 1 calc . .
C85 C 0.34923(13) 0.11044(6) 0.94489(6) 0.0316(4) Uani 1 d . .
C86 C 0.32015(14) 0.10030(6) 0.97923(6) 0.0344(4) Uani 1 d . .
C87 C 0.23638(15) 0.08506(7) 0.97961(7) 0.0413(5) Uani 1 d . .
H87 H 0.2176 0.0778 1.0026 0.05 Uiso 1 calc . .
C88 C 0.17975(15) 0.08018(7) 0.94756(7) 0.0455(5) Uani 1 d . .
H88 H 0.1226 0.0701 0.9485 0.055 Uiso 1 calc . .
C89 C 0.20768(16) 0.09030(7) 0.91406(7) 0.0460(5) Uani 1 d . .
H89 H 0.1689 0.087 0.8919 0.055 Uiso 1 calc . .
C90 C 0.29126(15) 0.10516(6) 0.91194(6) 0.0375(4) Uani 1 d . .
C91 C 0.37617(16) 0.10704(7) 1.01606(6) 0.0429(5) Uani 1 d . .
H91 H 0.4376 0.1111 1.011 0.051 Uiso 1 calc . .
C92 C 0.34717(18) 0.14549(9) 1.03461(7) 0.0543(6) Uani 1 d . .
H92A H 0.3523 0.1689 1.0183 0.081 Uiso 1 calc . .
H92B H 0.3841 0.1498 1.0581 0.081 Uiso 1 calc . .
H92C H 0.2865 0.1425 1.0393 0.081 Uiso 1 calc . .
C93 C 0.3741(2) 0.07028(10) 1.04225(8) 0.0664(8) Uani 1 d . .
H93A H 0.3176 0.0692 1.0518 0.1 Uiso 1 calc . .
H93B H 0.4205 0.0731 1.063 0.1 Uiso 1 calc . .
H93C H 0.3829 0.0452 1.0287 0.1 Uiso 1 calc . .
C94 C 0.31740(19) 0.11356(8) 0.87377(7) 0.0493(6) Uani 1 d . .
H94 H 0.3762 0.1266 0.8771 0.059 Uiso 1 calc . .
C95 C 0.3249(3) 0.07320(10) 0.85319(9) 0.0784(11) Uani 1 d . .
H95A H 0.371 0.0566 0.8666 0.118 Uiso 1 calc . .
H95B H 0.3391 0.0787 0.8281 0.118 Uiso 1 calc . .
H95C H 0.2695 0.0586 0.8517 0.118 Uiso 1 calc . .
C96 C 0.2547(2) 0.14255(10) 0.85100(8) 0.0642(8) Uani 1 d . .
H96A H 0.196 0.1309 0.8481 0.096 Uiso 1 calc . .
H96B H 0.2738 0.1466 0.8265 0.096 Uiso 1 calc . .
H96C H 0.2541 0.1688 0.8638 0.096 Uiso 1 calc . .
C99 C 0.73553(18) 0.17632(12) 0.99346(13) 0.0886(14) Uani 1 d . .
H99A H 0.7604 0.1623 1.0161 0.133 Uiso 1 calc . .
H99B H 0.7456 0.2057 0.9963 0.133 Uiso 1 calc . .
H99C H 0.7632 0.1663 0.9724 0.133 Uiso 1 calc . .
C100 C 0.5689(2) 0.17789(11) 1.02870(9) 0.0701(9) Uani 1 d . .
H10A H 0.506 0.182 1.0229 0.105 Uiso 1 calc . .
H10B H 0.5955 0.2027 1.04 0.105 Uiso 1 calc . .
H10C H 0.5799 0.1551 1.046 0.105 Uiso 1 calc . .
C101 C 0.60717(11) 0.22609(6) 0.93168(6) 0.0315(4) Uani 1 d . .
C102 C 0.59717(12) 0.26659(6) 0.94340(6) 0.0316(4) Uani 1 d . .
C103 C 0.63880(12) 0.29809(6) 0.92655(6) 0.0341(4) Uani 1 d . .
H103 H 0.6326 0.3252 0.9349 0.041 Uiso 1 calc . .
C104 C 0.68838(13) 0.29099(7) 0.89832(6) 0.0375(4) Uani 1 d . .
H104 H 0.7155 0.3128 0.887 0.045 Uiso 1 calc . .
C105 C 0.69788(13) 0.25127(7) 0.88672(7) 0.0389(5) Uani 1 d . .
H105 H 0.7314 0.2461 0.867 0.047 Uiso 1 calc . .
C106 C 0.65955(12) 0.21866(6) 0.90313(7) 0.0374(4) Uani 1 d . .
C107 C 0.54521(13) 0.27748(6) 0.97481(6) 0.0352(4) Uani 1 d . .
H107 H 0.5144 0.2525 0.9819 0.042 Uiso 1 calc . .
C108 C 0.60659(17) 0.29162(11) 1.00838(7) 0.0574(7) Uani 1 d . .
H10D H 0.6501 0.2704 1.0154 0.086 Uiso 1 calc . .
H10E H 0.5732 0.2968 1.0291 0.086 Uiso 1 calc . .
H10F H 0.636 0.3167 1.0022 0.086 Uiso 1 calc . .
C109 C 0.47691(13) 0.31009(6) 0.96289(7) 0.0380(4) Uani 1 d . .
H10G H 0.4416 0.315 0.983 0.057 Uiso 1 calc . .
H10H H 0.4393 0.3008 0.9409 0.057 Uiso 1 calc . .
H10I H 0.5061 0.3354 0.9572 0.057 Uiso 1 calc . .
C110 C 0.67667(16) 0.17603(8) 0.88986(9) 0.0541(7) Uani 1 d . .
H110 H 0.6492 0.1562 0.9058 0.065 Uiso 1 calc . .
C111 C 0.7761(2) 0.16677(11) 0.89305(13) 0.0826(11) Uani 1 d . .
H11D H 0.8019 0.1818 0.8738 0.124 Uiso 1 calc . .
H11E H 0.7849 0.1375 0.8898 0.124 Uiso 1 calc . .
H11F H 0.804 0.1752 0.9175 0.124 Uiso 1 calc . .
C112 C 0.6368(2) 0.16989(11) 0.84986(11) 0.0717(9) Uani 1 d . .
H11G H 0.5745 0.176 0.8476 0.108 Uiso 1 calc . .
H11H H 0.6451 0.1416 0.8426 0.108 Uiso 1 calc . .
H11I H 0.6652 0.1881 0.8337 0.108 Uiso 1 calc . .
C113 C 0.3727(2) 0.16600(12) 0.71703(10) 0.0777(10) Uani 1 d . .
H11J H 0.3993 0.1419 0.7065 0.093 Uiso 1 calc . .
H11K H 0.3769 0.1891 0.6999 0.093 Uiso 1 calc . .
C114 C 0.2777(2) 0.15720(12) 0.71968(13) 0.0847(12) Uani 1 d . .
H11L H 0.2497 0.1474 0.6954 0.102 Uiso 1 calc . .
H11M H 0.2734 0.1352 0.738 0.102 Uiso 1 calc . .
C115 C 0.4361(3) 0.14057(12) 0.77657(11) 0.0839(10) Uani 1 d . .
H11N H 0.4686 0.12 0.7644 0.126 Uiso 1 calc . .
H11O H 0.3801 0.1292 0.7814 0.126 Uiso 1 calc . .
H11P H 0.4697 0.1486 0.8 0.126 Uiso 1 calc . .
C116 C 0.5050(2) 0.19401(13) 0.74774(13) 0.0872(11) Uani 1 d . .
H11Q H 0.5348 0.2026 0.7718 0.131 Uiso 1 calc . .
H11R H 0.4956 0.2177 0.7314 0.131 Uiso 1 calc . .
H11S H 0.5409 0.174 0.7367 0.131 Uiso 1 calc . .
C117 C 0.1499(3) 0.18132(19) 0.74456(17) 0.1168(18) Uani 1 d . .
H11T H 0.1209 0.2057 0.7525 0.175 Uiso 1 calc . .
H11U H 0.1626 0.1628 0.7656 0.175 Uiso 1 calc . .
H11V H 0.1117 0.1677 0.7249 0.175 Uiso 1 calc . .
C118 C 0.2118(3) 0.22090(13) 0.69970(10) 0.0817(10) Uani 1 d . .
H11W H 0.2657 0.2279 0.6896 0.123 Uiso 1 calc . .
H11X H 0.1853 0.2457 0.7083 0.123 Uiso 1 calc . .
H11Y H 0.1713 0.208 0.6804 0.123 Uiso 1 calc . .
Si7 Si 0.5279(6) 0.0951(2) 0.9553(4) 0.0351(14) Uani 0.38(4) d A 1
C97 C 0.5686(12) 0.0808(6) 0.9119(6) 0.056(3) Uani 0.38(4) d A 1
H97A H 0.5564 0.1027 0.8938 0.084 Uiso 0.38(4) calc A 1
H97B H 0.5396 0.0558 0.9023 0.084 Uiso 0.38(4) calc A 1
H97C H 0.6315 0.0761 0.9165 0.084 Uiso 0.38(4) calc A 1
C98 C 0.5055(14) 0.0457(5) 0.9778(7) 0.057(4) Uani 0.38(4) d A 1
H98A H 0.55 0.0257 0.9732 0.086 Uiso 0.38(4) calc A 1
H98B H 0.448 0.0356 0.9676 0.086 Uiso 0.38(4) calc A 1
H98C H 0.5069 0.0498 1.0046 0.086 Uiso 0.38(4) calc A 1
Si7A Si 0.5209(3) 0.09467(15) 0.9432(5) 0.0486(14) Uani 0.62(4) d A 2
C97A C 0.5550(8) 0.0874(3) 0.8961(6) 0.067(3) Uani 0.62(4) d A 2
H97D H 0.5263 0.0633 0.8845 0.1 Uiso 0.62(4) calc A 2
H97E H 0.6183 0.0839 0.8983 0.1 Uiso 0.62(4) calc A 2
H97F H 0.5384 0.1114 0.8808 0.1 Uiso 0.62(4) calc A 2
C98A C 0.5018(9) 0.0430(4) 0.9610(7) 0.079(4) Uani 0.62(4) d A 2
H98D H 0.5062 0.0438 0.9881 0.119 Uiso 0.62(4) calc A 2
H98E H 0.5454 0.0242 0.9534 0.119 Uiso 0.62(4) calc A 2
H98F H 0.4435 0.0337 0.9509 0.119 Uiso 0.62(4) calc A 2
O1A O 0.46804(9) 0.37144(4) 0.86377(4) 0.0292(3) Uani 1 d . .
O2A O 0.48726(8) 0.43961(4) 0.79173(4) 0.0276(3) Uani 1 d . .
O3A O 0.34186(8) 0.40823(4) 0.75103(4) 0.0296(3) Uani 1 d . .
O4A O 0.38622(9) 0.31808(4) 0.80647(4) 0.0317(3) Uani 1 d . .
O5A O 0.23957(9) 0.29967(5) 0.75928(4) 0.0352(3) Uani 1 d . .
O6A O 0.25175(9) 0.32752(4) 0.90771(4) 0.0312(3) Uani 1 d . .
O7A O 0.23471(8) 0.25375(4) 0.97520(3) 0.0265(2) Uani 1 d . .
O8A O 0.36109(8) 0.20692(4) 0.95008(4) 0.0267(2) Uani 1 d . .
O9A O 0.31048(9) 0.26130(4) 0.86409(4) 0.0321(3) Uani 1 d . .
O10A O 0.43952(9) 0.20812(4) 0.85133(4) 0.0348(3) Uani 1 d . .
C1A C 0.49287(11) 0.39574(5) 0.84064(5) 0.0251(3) Uani 1 d . .
C2A C 0.44954(11) 0.40383(6) 0.80304(5) 0.0247(3) Uani 1 d . .
C3A C 0.38064(11) 0.38609(6) 0.78041(5) 0.0257(3) Uani 1 d . .
C4A C 0.35004(11) 0.34457(6) 0.78380(5) 0.0260(3) Uani 1 d . .
C5A C 0.27284(11) 0.33480(6) 0.75729(5) 0.0277(4) Uani 1 d . .
C6A C 0.22871(11) 0.30372(6) 0.93159(5) 0.0261(3) Uani 1 d . .
C7A C 0.26577(11) 0.26352(6) 0.94202(5) 0.0246(3) Uani 1 d . .
C8A C 0.32481(11) 0.23765(5) 0.92780(5) 0.0249(3) Uani 1 d . .
C9A C 0.34660(11) 0.23829(6) 0.88984(5) 0.0263(3) Uani 1 d . .
C10A C 0.41473(12) 0.20872(5) 0.88331(5) 0.0274(4) Uani 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 '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'
Al Al 0.213 0.2455 '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'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -20 8 0.0646
-8 5 16 0.0793
0 -7 -22 0.0723
10 1 2 0.1209
1 7 22 0.0872
-1 7 22 0.0856
-6 16 11 0.0665
1 18 11 0.075
1 -19 -12 0.0704
-1 -18 -11 0.0868
0 21 2 0.0533
7 16 1 0.1062
-10 2 2 0.1247
0 14 -18 0.0608
10 -1 0 0.1185
9 6 -8 0.1337
1 -14 17 0.0844
-1 -14 18 0.0764
-6 -11 15 0.0947
2 0 22 0.088
0 0 24 0.0836
-7 0 18 0.082
0 0 -23 0.0704
0 21 -5 0.0494
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
O2A K1 O3A 62.24(4) . . ?
O2A K1 C3A 50.10(5) . . ?
O3A K1 C3A 27.03(4) . . ?
O2A K1 C2A 27.03(4) . . ?
O3A K1 C2A 48.13(4) . . ?
C3A K1 C2A 26.49(5) . . ?
O2A K1 C31 139.73(8) . . ?
O3A K1 C31 102.54(5) . . ?
C3A K1 C31 128.34(6) . . ?
C2A K1 C31 148.97(6) . . ?
O2A K1 C32 164.52(8) . . ?
O3A K1 C32 116.34(5) . . ?
C3A K1 C32 135.59(6) . . ?
C2A K1 C32 162.02(6) . . ?
C31 K1 C32 25.36(9) . . ?
O2A K1 C30 123.68(6) . . ?
O3A K1 C30 76.74(5) . . ?
C3A K1 C30 102.77(5) . . ?
C2A K1 C30 123.87(5) . . ?
C31 K1 C30 25.80(6) . . ?
C32 K1 C30 45.25(7) . . ?
O2A K1 C2 79.10(5) . . ?
O3A K1 C2 141.32(5) . . ?
C3A K1 C2 122.83(5) . . ?
C2A K1 C2 96.77(5) . . ?
C31 K1 C2 106.67(6) . . ?
C32 K1 C2 100.57(6) . . ?
C30 K1 C2 129.43(6) . . ?
O2A K1 C3 104.64(5) . . ?
O3A K1 C3 166.88(6) . . ?
C3A K1 C3 144.13(5) . . ?
C2A K1 C3 120.14(5) . . ?
C31 K1 C3 87.53(6) . . ?
C32 K1 C3 76.20(6) . . ?
C30 K1 C3 113.06(6) . . ?
C2 K1 C3 25.56(6) . . ?
O2A K1 C33 164.54(6) . . ?
O3A K1 C33 103.15(6) . . ?
C3A K1 C33 114.60(7) . . ?
C2A K1 C33 139.00(7) . . ?
C31 K1 C33 44.19(9) . . ?
C32 K1 C33 25.06(9) . . ?
C30 K1 C33 52.03(8) . . ?
C2 K1 C33 115.44(6) . . ?
C3 K1 C33 89.92(6) . . ?
O2A K1 C29 123.72(5) . . ?
O3A K1 C29 63.74(5) . . ?
C3A K1 C29 85.47(5) . . ?
C2A K1 C29 110.97(5) . . ?
C31 K1 C29 45.08(6) . . ?
C32 K1 C29 52.61(6) . . ?
C30 K1 C29 25.54(7) . . ?
C2 K1 C29 151.46(5) . . ?
C3 K1 C29 128.73(6) . . ?
C33 K1 C29 44.75(6) . . ?
O2A K1 C34 139.61(5) . . ?
O3A K1 C34 77.82(5) . . ?
C3A K1 C34 91.22(5) . . ?
C2A K1 C34 117.31(5) . . ?
C31 K1 C34 52.03(8) . . ?
C32 K1 C34 44.79(7) . . ?
C30 K1 C34 44.82(7) . . ?
C2 K1 C34 140.68(6) . . ?
C3 K1 C34 115.24(6) . . ?
C33 K1 C34 25.35(6) . . ?
C29 K1 C34 25.46(6) . . ?
O6A K2 O1A 103.82(4) . . ?
O6A K2 C61 95.50(5) . . ?
O1A K2 C61 158.16(5) . . ?
O6A K2 C19 156.76(5) . . ?
O1A K2 C19 95.29(5) . . ?
C61 K2 C19 68.80(5) . . ?
O6A K2 K4 38.56(3) . . ?
O1A K2 K4 72.82(3) . . ?
C61 K2 K4 128.91(4) . . ?
C19 K2 K4 142.33(5) . . ?
O6A K2 K3 74.25(3) . . ?
O1A K2 K3 37.67(3) . . ?
C61 K2 K3 145.23(4) . . ?
C19 K2 K3 128.38(4) . . ?
K4 K2 K3 59.669(10) . . ?
O4A K3 O1A 67.64(4) . . ?
O4A K3 O10A 97.48(5) . . ?
O1A K3 O10A 160.51(4) . . ?
O4A K3 O9A 71.01(4) . . ?
O1A K3 O9A 104.09(4) . . ?
O10A K3 O9A 57.76(4) . . ?
O4A K3 C9A 95.64(5) . . ?
O1A K3 C9A 119.07(5) . . ?
O10A K3 C9A 47.47(4) . . ?
O9A K3 C9A 24.99(5) . . ?
O4A K3 C10A 109.31(5) . . ?
O1A K3 C10A 146.82(5) . . ?
O10A K3 C10A 24.72(5) . . ?
O9A K3 C10A 48.14(4) . . ?
C9A K3 C10A 28.26(5) . . ?
O4A K3 C103 152.78(5) . . ?
O1A K3 C103 87.77(5) . . ?
O10A K3 C103 108.94(5) . . ?
O9A K3 C103 128.98(5) . . ?
C9A K3 C103 106.88(5) . . ?
C10A K3 C103 97.64(5) . . ?
O4A K3 C104 140.84(5) . . ?
O1A K3 C104 93.93(5) . . ?
O10A K3 C104 105.43(5) . . ?
O9A K3 C104 148.11(5) . . ?
C9A K3 C104 123.26(5) . . ?
C10A K3 C104 104.50(5) . . ?
C103 K3 C104 24.51(6) . . ?
O4A K3 C102 169.71(5) . . ?
O1A K3 C102 104.11(5) . . ?
O10A K3 C102 89.07(5) . . ?
O9A K3 C102 106.39(4) . . ?
C9A K3 C102 82.92(5) . . ?
C10A K3 C102 73.94(5) . . ?
C103 K3 C102 24.52(5) . . ?
C104 K3 C102 42.80(5) . . ?
O4A K3 K5 49.89(3) . . ?
O1A K3 K5 116.35(3) . . ?
O10A K3 K5 47.59(3) . . ?
O9A K3 K5 49.20(3) . . ?
C9A K3 K5 63.39(4) . . ?
C10A K3 K5 62.98(4) . . ?
C103 K3 K5 155.86(4) . . ?
C104 K3 K5 141.47(4) . . ?
C102 K3 K5 136.07(4) . . ?
O4A K3 K4 42.27(3) . . ?
O1A K3 K4 72.57(3) . . ?
O10A K3 K4 87.96(3) . . ?
O9A K3 K4 35.90(3) . . ?
C9A K3 K4 59.86(4) . . ?
C10A K3 K4 83.79(4) . . ?
C103 K3 K4 142.13(4) . . ?
C104 K3 K4 163.82(4) . . ?
C102 K3 K4 130.68(4) . . ?
K5 K3 K4 54.672(11) . . ?
O4A K3 K2 82.10(4) . . ?
O1A K3 K2 37.11(3) . . ?
O10A K3 K2 131.83(3) . . ?
O9A K3 K2 77.34(3) . . ?
C9A K3 K2 84.47(4) . . ?
C10A K3 K2 110.48(4) . . ?
C103 K3 K2 85.01(4) . . ?
C104 K3 K2 104.17(4) . . ?
C102 K3 K2 87.62(4) . . ?
K5 K3 K2 114.358(14) . . ?
K4 K3 K2 59.690(10) . . ?
O9A K4 O6A 67.92(4) . . ?
O9A K4 O5A 98.01(5) . . ?
O6A K4 O5A 162.59(4) . . ?
O9A K4 O4A 71.08(4) . . ?
O6A K4 O4A 106.72(4) . . ?
O5A K4 O4A 57.44(4) . . ?
O9A K4 C4A 95.86(5) . . ?
O6A K4 C4A 121.46(5) . . ?
O5A K4 C4A 47.39(4) . . ?
O4A K4 C4A 25.06(4) . . ?
O9A K4 C5A 109.64(5) . . ?
O6A K4 C5A 149.11(5) . . ?
O5A K4 C5A 24.58(5) . . ?
O4A K4 C5A 47.99(4) . . ?
C4A K4 C5A 28.24(5) . . ?
O9A K4 C47 151.32(5) . . ?
O6A K4 C47 85.40(5) . . ?
O5A K4 C47 110.02(5) . . ?
O4A K4 C47 129.47(5) . . ?
C4A K4 C47 107.39(5) . . ?
C5A K4 C47 98.63(5) . . ?
O9A K4 C48 139.71(5) . . ?
O6A K4 C48 90.65(5) . . ?
O5A K4 C48 106.75(5) . . ?
O4A K4 C48 149.21(5) . . ?
C4A K4 C48 124.30(5) . . ?
C5A K4 C48 105.84(5) . . ?
C47 K4 C48 24.82(6) . . ?
O9A K4 C46 168.79(5) . . ?
O6A K4 C46 102.95(5) . . ?
O5A K4 C46 89.65(5) . . ?
O4A K4 C46 106.86(5) . . ?
C4A K4 C46 83.28(5) . . ?
C5A K4 C46 74.57(5) . . ?
C47 K4 C46 24.77(5) . . ?
C48 K4 C46 43.28(5) . . ?
O9A K4 C49 140.85(5) . . ?
O6A K4 C49 112.57(5) . . ?
O5A K4 C49 84.79(5) . . ?
O4A K4 C49 136.79(5) . . ?
C4A K4 C49 113.38(5) . . ?
C5A K4 C49 88.89(5) . . ?
C47 K4 C49 41.21(6) . . ?
C48 K4 C49 23.08(6) . . ?
C46 K4 C49 47.71(5) . . ?
O9A K4 K5 50.54(3) . . ?
O6A K4 K5 117.80(3) . . ?
O5A K4 K5 47.48(3) . . ?
O4A K4 K5 49.42(3) . . ?
C4A K4 K5 63.80(4) . . ?
C5A K4 K5 63.02(4) . . ?
C47 K4 K5 156.69(4) . . ?
C48 K4 K5 141.74(5) . . ?
C46 K4 K5 136.66(4) . . ?
C49 K4 K5 119.84(4) . . ?
O9A K4 K3 42.01(3) . . ?
O6A K4 K3 74.52(3) . . ?
O5A K4 K3 88.16(3) . . ?
O4A K4 K3 36.25(3) . . ?
C4A K4 K3 60.14(3) . . ?
C5A K4 K3 84.02(3) . . ?
C47 K4 K3 141.48(5) . . ?
C48 K4 K3 162.75(5) . . ?
C46 K4 K3 130.79(4) . . ?
C49 K4 K3 172.77(4) . . ?
K5 K4 K3 55.331(11) . . ?
O5A K5 O10A 148.87(5) . . ?
O5A K5 O4A 59.70(4) . . ?
O10A K5 O4A 93.01(4) . . ?
O5A K5 O9A 94.21(4) . . ?
O10A K5 O9A 59.28(4) . . ?
O4A K5 O9A 68.01(4) . . ?
O5A K5 N9 124.96(7) . . ?
O10A K5 N9 82.67(6) . . ?
O4A K5 N9 127.71(6) . . ?
O9A K5 N9 140.81(7) . . ?
O5A K5 N10 80.31(7) . . ?
O10A K5 N10 129.67(7) . . ?
O4A K5 N10 136.55(7) . . ?
O9A K5 N10 136.22(6) . . ?
N9 K5 N10 61.80(7) . . ?
O5A K5 C5A 18.03(4) . . ?
O10A K5 C5A 135.51(5) . . ?
O4A K5 C5A 42.94(4) . . ?
O9A K5 C5A 91.14(4) . . ?
N9 K5 C5A 125.42(7) . . ?
N10 K5 C5A 94.81(7) . . ?
O5A K5 C10A 136.41(5) . . ?
O10A K5 C10A 18.06(4) . . ?
O4A K5 C10A 90.74(4) . . ?
O9A K5 C10A 42.74(4) . . ?
N9 K5 C10A 98.21(7) . . ?
N10 K5 C10A 132.19(7) . . ?
C5A K5 C10A 128.77(4) . . ?
O5A K5 K4 50.67(3) . . ?
O10A K5 K4 101.44(3) . . ?
O4A K5 K4 51.02(3) . . ?
O9A K5 K4 43.55(3) . . ?
N9 K5 K4 175.62(6) . . ?
N10 K5 K4 115.77(5) . . ?
C5A K5 K4 50.41(3) . . ?
C10A K5 K4 86.09(3) . . ?
O5A K5 K3 101.87(3) . . ?
O10A K5 K3 49.52(3) . . ?
O4A K5 K3 43.49(3) . . ?
O9A K5 K3 50.44(3) . . ?
N9 K5 K3 112.19(5) . . ?
N10 K5 K3 173.13(5) . . ?
C5A K5 K3 86.22(3) . . ?
C10A K5 K3 49.82(3) . . ?
K4 K5 K3 69.997(12) . . ?
O7A K6 O8A 61.82(4) . . ?
O7A K6 C8A 49.66(4) . . ?
O8A K6 C8A 26.97(4) . . ?
O7A K6 C7A 26.75(4) . . ?
O8A K6 C7A 48.01(4) . . ?
C8A K6 C7A 26.37(5) . . ?
O7A K6 C86 128.23(5) . . ?
O8A K6 C86 79.63(5) . . ?
C8A K6 C86 105.03(5) . . ?
C7A K6 C86 127.19(5) . . ?
O7A K6 C87 146.18(5) . . ?
O8A K6 C87 105.16(5) . . ?
C8A K6 C87 129.77(6) . . ?
C7A K6 C87 152.76(6) . . ?
C86 K6 C87 25.61(6) . . ?
O7A K6 C75 104.56(6) . . ?
O8A K6 C75 166.35(6) . . ?
C8A K6 C75 144.29(6) . . ?
C7A K6 C75 120.13(6) . . ?
C86 K6 C75 110.68(6) . . ?
C87 K6 C75 85.73(6) . . ?
O7A K6 C74 78.98(5) . . ?
O8A K6 C74 140.75(5) . . ?
C8A K6 C74 122.79(5) . . ?
C7A K6 C74 96.74(5) . . ?
C86 K6 C74 128.52(6) . . ?
C87 K6 C74 106.54(6) . . ?
C75 K6 C74 25.60(6) . . ?
O7A K6 C85 125.14(5) . . ?
O8A K6 C85 64.85(4) . . ?
C8A K6 C85 85.74(5) . . ?
C7A K6 C85 111.46(5) . . ?
C86 K6 C85 25.85(5) . . ?
C87 K6 C85 44.95(5) . . ?
C75 K6 C85 128.08(6) . . ?
C74 K6 C85 151.37(5) . . ?
O7A K6 C88 171.08(6) . . ?
O8A K6 C88 116.98(5) . . ?
C8A K6 C88 133.43(6) . . ?
C7A K6 C88 158.82(6) . . ?
C86 K6 C88 44.94(6) . . ?
C87 K6 C88 25.08(6) . . ?
C75 K6 C88 76.30(7) . . ?
C74 K6 C88 101.39(6) . . ?
C85 K6 C88 52.23(6) . . ?
O7A K6 C76 116.82(5) . . ?
O8A K6 C76 160.08(6) . . ?
C8A K6 C76 135.46(6) . . ?
C7A K6 C76 120.96(6) . . ?
C86 K6 C76 111.00(6) . . ?
C87 K6 C76 86.00(6) . . ?
C75 K6 C76 25.06(7) . . ?
C74 K6 C76 44.74(7) . . ?
C85 K6 C76 117.62(6) . . ?
C88 K6 C76 67.59(6) . . ?
O7A K6 C73 64.97(4) . . ?
O8A K6 C73 123.25(5) . . ?
C8A K6 C73 99.85(5) . . ?
C7A K6 C73 75.43(5) . . ?
C86 K6 C73 154.02(5) . . ?
C87 K6 C73 130.37(6) . . ?
C75 K6 C73 44.81(6) . . ?
C74 K6 C73 25.63(5) . . ?
C85 K6 C73 168.75(5) . . ?
C88 K6 C73 118.64(6) . . ?
C76 K6 C73 51.88(6) . . ?
O1 Si1 N1 107.66(8) . . ?
O1 Si1 C14 108.43(10) . . ?
N1 Si1 C14 112.28(10) . . ?
O1 Si1 C13 106.95(11) . . ?
N1 Si1 C13 111.01(10) . . ?
C14 Si1 C13 110.29(11) . . ?
O1 Si2 N2 107.23(8) . . ?
O1 Si2 C15 109.17(12) . . ?
N2 Si2 C15 112.86(10) . . ?
O1 Si2 C16 106.85(10) . . ?
N2 Si2 C16 114.92(11) . . ?
C15 Si2 C16 105.57(13) . . ?
O2 Si3 N3 107.30(9) . . ?
O2 Si3 C42 109.83(11) . . ?
N3 Si3 C42 110.82(12) . . ?
O2 Si3 C41 108.94(13) . . ?
N3 Si3 C41 113.26(10) . . ?
C42 Si3 C41 106.67(15) . . ?
O2 Si4 N4 107.25(9) . . ?
O2 Si4 C44 108.64(12) . . ?
N4 Si4 C44 112.85(10) . . ?
O2 Si4 C43 109.19(12) . . ?
N4 Si4 C43 111.46(11) . . ?
C44 Si4 C43 107.39(15) . . ?
O3 Si5 N5 106.84(8) . . ?
O3 Si5 C69 108.56(12) . . ?
N5 Si5 C69 112.97(11) . . ?
O3 Si5 C70 106.70(12) . . ?
N5 Si5 C70 114.73(12) . . ?
C69 Si5 C70 106.75(17) . . ?
O3 Si6 N6 107.41(8) . . ?
O3 Si6 C72 108.71(10) . . ?
N6 Si6 C72 112.18(11) . . ?
O3 Si6 C71 107.18(12) . . ?
N6 Si6 C71 111.38(10) . . ?
C72 Si6 C71 109.80(12) . . ?
O4 Si8 N7 107.12(11) . . ?
O4 Si8 C99 108.52(15) . . ?
N7 Si8 C99 113.28(12) . . ?
O4 Si8 C100 108.70(14) . . ?
N7 Si8 C100 110.72(12) . . ?
C99 Si8 C100 108.38(18) . . ?
O2A Al1 N2 121.34(7) . . ?
O2A Al1 N1 108.56(7) . . ?
N2 Al1 N1 107.92(8) . . ?
O2A Al1 C1A 72.04(7) . . ?
N2 Al1 C1A 121.12(7) . . ?
N1 Al1 C1A 121.63(8) . . ?
O2A Al1 C2A 35.07(6) . . ?
N2 Al1 C2A 134.01(7) . . ?
N1 Al1 C2A 117.10(7) . . ?
C1A Al1 C2A 37.38(6) . . ?
O2A Al1 K1 30.80(4) . . ?
N2 Al1 K1 139.55(6) . . ?
N1 Al1 K1 78.21(5) . . ?
C1A Al1 K1 83.45(5) . . ?
C2A Al1 K1 49.62(4) . . ?
O3A Al2 N3 103.94(7) . . ?
O3A Al2 N4 121.94(8) . . ?
N3 Al2 N4 106.01(7) . . ?
O3A Al2 C5A 88.35(7) . . ?
N3 Al2 C5A 128.25(9) . . ?
N4 Al2 C5A 109.08(8) . . ?
O7A Al3 N5 122.37(7) . . ?
O7A Al3 N6 108.22(7) . . ?
N5 Al3 N6 107.59(7) . . ?
O7A Al3 C6A 71.79(7) . . ?
N5 Al3 C6A 120.31(8) . . ?
N6 Al3 C6A 122.63(7) . . ?
O7A Al3 C7A 34.82(6) . . ?
N5 Al3 C7A 133.72(7) . . ?
N6 Al3 C7A 117.78(7) . . ?
C6A Al3 C7A 37.32(7) . . ?
O8A Al4 N7 121.18(8) . . ?
O8A Al4 N8 104.38(7) . . ?
N7 Al4 N8 106.34(8) . . ?
O8A Al4 C10A 88.51(7) . . ?
N7 Al4 C10A 109.15(8) . . ?
N8 Al4 C10A 127.80(8) . . ?
Si2 O1 Si1 134.72(9) . . ?
Si3 O2 Si4 130.16(9) . . ?
Si5 O3 Si6 134.84(9) . . ?
Si7 O4 Si8 132.5(4) . . ?
Si8 O4 Si7A 128.84(19) . . ?
C1 N1 Si1 121.40(12) . . ?
C1 N1 Al1 120.46(12) . . ?
Si1 N1 Al1 117.97(9) . . ?
C17 N2 Si2 121.11(13) . . ?
C17 N2 Al1 114.56(12) . . ?
Si2 N2 Al1 124.33(9) . . ?
C29 N3 Si3 120.83(13) . . ?
C29 N3 Al2 120.48(12) . . ?
Si3 N3 Al2 118.52(9) . . ?
C45 N4 Si4 120.43(13) . . ?
C45 N4 Al2 120.08(13) . . ?
Si4 N4 Al2 119.39(9) . . ?
C57 N5 Si5 121.68(13) . . ?
C57 N5 Al3 113.95(12) . . ?
Si5 N5 Al3 124.35(9) . . ?
C73 N6 Si6 121.08(12) . . ?
C73 N6 Al3 120.42(12) . . ?
Si6 N6 Al3 118.40(10) . . ?
C101 N7 Si8 121.46(13) . . ?
C101 N7 Al4 120.07(13) . . ?
Si8 N7 Al4 118.43(9) . . ?
C85 N8 Si7A 120.3(2) . . ?
C85 N8 Si7 120.4(3) . . ?
C85 N8 Al4 120.31(13) . . ?
Si7A N8 Al4 117.9(2) . . ?
Si7 N8 Al4 119.3(2) . . ?
C115 N9 C113 112.5(3) . . ?
C115 N9 C116 109.0(3) . . ?
C113 N9 C116 110.5(3) . . ?
C115 N9 K5 108.3(2) . . ?
C113 N9 K5 111.72(19) . . ?
C116 N9 K5 104.5(2) . . ?
C118 N10 C114 111.1(3) . . ?
C118 N10 C117 109.2(3) . . ?
C114 N10 C117 111.2(4) . . ?
C118 N10 K5 108.0(2) . . ?
C114 N10 K5 111.3(2) . . ?
C117 N10 K5 105.9(3) . . ?
C6 C1 C2 118.86(19) . . ?
C6 C1 N1 120.77(17) . . ?
C2 C1 N1 120.37(19) . . ?
C6 C1 K1 79.83(11) . . ?
C2 C1 K1 74.32(11) . . ?
N1 C1 K1 116.23(10) . . ?
C3 C2 C1 119.4(2) . . ?
C3 C2 C7 119.1(2) . . ?
C1 C2 C7 121.49(19) . . ?
C3 C2 K1 77.33(12) . . ?
C1 C2 K1 80.02(11) . . ?
C7 C2 K1 110.35(12) . . ?
C4 C3 C2 121.7(2) . . ?
C4 C3 K1 80.35(13) . . ?
C2 C3 K1 77.11(11) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
K1 C3 H3 113.6 . . ?
C3 C4 C5 119.2(2) . . ?
C3 C4 K1 74.71(12) . . ?
C5 C4 K1 79.47(12) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
K1 C4 H4 116.2 . . ?
C4 C5 C6 121.4(2) . . ?
C4 C5 K1 75.93(13) . . ?
C6 C5 K1 78.36(11) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
K1 C5 H5 117.1 . . ?
C5 C6 C1 119.47(19) . . ?
C5 C6 C10 118.7(2) . . ?
C1 C6 C10 121.68(17) . . ?
C5 C6 K1 77.04(12) . . ?
C1 C6 K1 75.08(10) . . ?
C10 C6 K1 122.11(11) . . ?
C2 C7 C9 113.7(2) . . ?
C2 C7 C8 109.91(19) . . ?
C9 C7 C8 109.77(19) . . ?
C2 C7 H7 107.7 . . ?
C9 C7 H7 107.7 . . ?
C8 C7 H7 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C11 113.50(18) . . ?
C6 C10 C12 109.04(16) . . ?
C11 C10 C12 110.08(18) . . ?
C6 C10 H10 108 . . ?
C11 C10 H10 108 . . ?
C12 C10 H10 108 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 119.32(19) . . ?
C22 C17 N2 120.60(19) . . ?
C18 C17 N2 120.06(18) . . ?
C19 C18 C17 119.3(2) . . ?
C19 C18 C23 118.8(2) . . ?
C17 C18 C23 121.84(18) . . ?
C20 C19 C18 121.3(2) . . ?
C20 C19 K2 96.85(15) . . ?
C18 C19 K2 94.80(13) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
K2 C19 H19 78.1 . . ?
C21 C20 C19 119.4(2) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C20 C21 C22 121.4(2) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C21 C22 C17 119.1(2) . . ?
C21 C22 C26 118.5(2) . . ?
C17 C22 C26 122.32(19) . . ?
C18 C23 C24 112.34(18) . . ?
C18 C23 C25 112.21(19) . . ?
C24 C23 C25 108.89(18) . . ?
C18 C23 H23 107.7 . . ?
C24 C23 H23 107.7 . . ?
C25 C23 H23 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 C27 113.3(2) . . ?
C22 C26 C28 110.1(2) . . ?
C27 C26 C28 110.7(2) . . ?
C22 C26 H26 107.5 . . ?
C27 C26 H26 107.5 . . ?
C28 C26 H26 107.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 118.8(2) . . ?
C30 C29 N3 120.8(2) . . ?
C34 C29 N3 120.4(2) . . ?
C30 C29 K1 75.11(12) . . ?
C34 C29 K1 77.56(12) . . ?
N3 C29 K1 116.51(12) . . ?
C31 C30 C29 119.6(3) . . ?
C31 C30 C35 118.4(3) . . ?
C29 C30 C35 121.9(2) . . ?
C31 C30 K1 75.88(13) . . ?
C29 C30 K1 79.35(12) . . ?
C35 C30 K1 112.70(17) . . ?
C32 C31 C30 121.6(3) . . ?
C32 C31 K1 78.53(15) . . ?
C30 C31 K1 78.32(13) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
K1 C31 H31 114.3 . . ?
C33 C32 C31 119.0(2) . . ?
C33 C32 K1 78.57(14) . . ?
C31 C32 K1 76.10(14) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
K1 C32 H32 115.6 . . ?
C32 C33 C34 121.8(3) . . ?
C32 C33 K1 76.38(16) . . ?
C34 C33 K1 78.71(14) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
K1 C33 H33 116.3 . . ?
C33 C34 C29 119.3(3) . . ?
C33 C34 C38 118.5(3) . . ?
C29 C34 C38 122.2(2) . . ?
C33 C34 K1 75.94(14) . . ?
C29 C34 K1 76.98(13) . . ?
C38 C34 K1 118.48(14) . . ?
C30 C35 C36 110.2(2) . . ?
C30 C35 C37 112.7(3) . . ?
C36 C35 C37 110.5(3) . . ?
C30 C35 H35 107.8 . . ?
C36 C35 H35 107.8 . . ?
C37 C35 H35 107.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 C40 110.5(2) . . ?
C34 C38 C39 112.1(2) . . ?
C40 C38 C39 111.2(3) . . ?
C34 C38 H38 107.6 . . ?
C40 C38 H38 107.6 . . ?
C39 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si3 C41 H41A 109.5 . . ?
Si3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si3 C42 H42A 109.5 . . ?
Si3 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si3 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si4 C43 H43A 109.5 . . ?
Si4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si4 C44 H44A 109.5 . . ?
Si4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C50 118.45(18) . . ?
C46 C45 N4 120.62(19) . . ?
C50 C45 N4 120.93(19) . . ?
C47 C46 C45 119.8(2) . . ?
C47 C46 C51 117.70(19) . . ?
C45 C46 C51 122.50(18) . . ?
C47 C46 K4 70.14(12) . . ?
C45 C46 K4 90.80(13) . . ?
C51 C46 K4 110.53(12) . . ?
C48 C47 C46 121.8(2) . . ?
C48 C47 K4 82.22(13) . . ?
C46 C47 K4 85.09(12) . . ?
C48 C47 H47 119.1 . . ?
C46 C47 H47 119.1 . . ?
K4 C47 H47 103.1 . . ?
C47 C48 C49 118.71(19) . . ?
C47 C48 K4 72.96(12) . . ?
C49 C48 K4 90.04(13) . . ?
C47 C48 H48 120.6 . . ?
C49 C48 H48 120.6 . . ?
K4 C48 H48 106.7 . . ?
C48 C49 C50 121.7(2) . . ?
C48 C49 K4 66.88(12) . . ?
C50 C49 K4 87.39(12) . . ?
C48 C49 H49 119.2 . . ?
C50 C49 H49 119.2 . . ?
K4 C49 H49 116.7 . . ?
C49 C50 C45 119.5(2) . . ?
C49 C50 C54 117.9(2) . . ?
C45 C50 C54 122.51(19) . . ?
C46 C51 C53 109.91(19) . . ?
C46 C51 C52 111.97(19) . . ?
C53 C51 C52 110.3(2) . . ?
C46 C51 H51 108.2 . . ?
C53 C51 H51 108.2 . . ?
C52 C51 H51 108.2 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 C50 111.0(2) . . ?
C55 C54 C56 109.6(2) . . ?
C50 C54 C56 111.8(2) . . ?
C55 C54 H54 108.1 . . ?
C50 C54 H54 108.1 . . ?
C56 C54 H54 108.1 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C62 C57 C58 119.29(18) . . ?
C62 C57 N5 120.33(17) . . ?
C58 C57 N5 120.34(18) . . ?
C59 C58 C57 118.67(19) . . ?
C59 C58 C63 118.79(18) . . ?
C57 C58 C63 122.49(17) . . ?
C60 C59 C58 121.9(2) . . ?
C60 C59 H59 119.1 . . ?
C58 C59 H59 119.1 . . ?
C59 C60 C61 119.30(19) . . ?
C59 C60 H60 120.3 . . ?
C61 C60 H60 120.3 . . ?
C60 C61 C62 121.4(2) . . ?
C60 C61 K2 92.24(12) . . ?
C62 C61 K2 99.06(12) . . ?
C60 C61 H61 119.3 . . ?
C62 C61 H61 119.3 . . ?
K2 C61 H61 78.4 . . ?
C61 C62 C57 119.17(19) . . ?
C61 C62 C66 118.69(19) . . ?
C57 C62 C66 122.14(18) . . ?
C58 C63 C65 113.31(18) . . ?
C58 C63 C64 109.56(19) . . ?
C65 C63 C64 111.3(2) . . ?
C58 C63 H63 107.5 . . ?
C65 C63 H63 107.5 . . ?
C64 C63 H63 107.5 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C62 C66 C68 111.98(17) . . ?
C62 C66 C67 112.12(19) . . ?
C68 C66 C67 109.7(2) . . ?
C62 C66 H66 107.6 . . ?
C68 C66 H66 107.6 . . ?
C67 C66 H66 107.6 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Si5 C69 H69A 109.5 . . ?
Si5 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
Si5 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
Si5 C70 H70A 109.5 . . ?
Si5 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
Si5 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
Si6 C71 H71A 109.5 . . ?
Si6 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
Si6 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
Si6 C72 H72A 109.5 . . ?
Si6 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
Si6 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C78 C73 C74 118.66(19) . . ?
C78 C73 N6 120.90(18) . . ?
C74 C73 N6 120.44(18) . . ?
C78 C73 K6 79.23(11) . . ?
C74 C73 K6 74.06(11) . . ?
N6 C73 K6 116.55(11) . . ?
C75 C74 C73 119.6(2) . . ?
C75 C74 C79 119.0(2) . . ?
C73 C74 C79 121.3(2) . . ?
C75 C74 K6 76.86(13) . . ?
C73 C74 K6 80.31(11) . . ?
C79 C74 K6 110.73(12) . . ?
C76 C75 C74 121.5(2) . . ?
C76 C75 K6 80.14(14) . . ?
C74 C75 K6 77.54(12) . . ?
C76 C75 H75 119.2 . . ?
C74 C75 H75 119.2 . . ?
K6 C75 H75 113.3 . . ?
C75 C76 C77 119.3(2) . . ?
C75 C76 K6 74.80(12) . . ?
C77 C76 K6 79.32(12) . . ?
C75 C76 H76 120.4 . . ?
C77 C76 H76 120.4 . . ?
K6 C76 H76 116.3 . . ?
C76 C77 C78 121.4(2) . . ?
C76 C77 K6 75.97(12) . . ?
C78 C77 K6 78.67(11) . . ?
C76 C77 H77 119.3 . . ?
C78 C77 H77 119.3 . . ?
K6 C77 H77 116.7 . . ?
C77 C78 C73 119.5(2) . . ?
C77 C78 C82 118.44(19) . . ?
C73 C78 C82 121.87(19) . . ?
C77 C78 K6 76.60(12) . . ?
C73 C78 K6 75.65(11) . . ?
C82 C78 K6 122.42(12) . . ?
C74 C79 C80 113.7(2) . . ?
C74 C79 C81 109.5(2) . . ?
C80 C79 C81 109.63(19) . . ?
C74 C79 H79 108 . . ?
C80 C79 H79 108 . . ?
C81 C79 H79 108 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C78 C82 C84 113.60(19) . . ?
C78 C82 C83 109.32(16) . . ?
C84 C82 C83 110.22(18) . . ?
C78 C82 H82 107.8 . . ?
C84 C82 H82 107.8 . . ?
C83 C82 H82 107.8 . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C82 C84 H84A 109.5 . . ?
C82 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C82 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C90 C85 C86 118.66(18) . . ?
C90 C85 N8 120.85(19) . . ?
C86 C85 N8 120.48(18) . . ?
C90 C85 K6 79.34(12) . . ?
C86 C85 K6 74.62(11) . . ?
N8 C85 K6 114.95(11) . . ?
C87 C86 C85 119.3(2) . . ?
C87 C86 C91 118.4(2) . . ?
C85 C86 C91 122.25(19) . . ?
C87 C86 K6 77.50(13) . . ?
C85 C86 K6 79.53(11) . . ?
C91 C86 K6 111.08(14) . . ?
C88 C87 C86 122.0(2) . . ?
C88 C87 K6 79.86(14) . . ?
C86 C87 K6 76.90(12) . . ?
C88 C87 H87 119 . . ?
C86 C87 H87 119 . . ?
K6 C87 H87 114.5 . . ?
C87 C88 C89 118.8(2) . . ?
C87 C88 K6 75.06(13) . . ?
C89 C88 K6 79.10(14) . . ?
C87 C88 H88 120.6 . . ?
C89 C88 H88 120.6 . . ?
K6 C88 H88 116 . . ?
C88 C89 C90 121.7(2) . . ?
C88 C89 K6 76.13(14) . . ?
C90 C89 K6 78.01(13) . . ?
C88 C89 H89 119.1 . . ?
C90 C89 H89 119.1 . . ?
K6 C89 H89 117.3 . . ?
C89 C90 C85 119.5(2) . . ?
C89 C90 C94 117.9(2) . . ?
C85 C90 C94 122.6(2) . . ?
C89 C90 K6 77.18(14) . . ?
C85 C90 K6 75.29(12) . . ?
C94 C90 K6 120.19(15) . . ?
C86 C91 C92 110.06(19) . . ?
C86 C91 C93 112.2(2) . . ?
C92 C91 C93 110.3(2) . . ?
C86 C91 H91 108.1 . . ?
C92 C91 H91 108.1 . . ?
C93 C91 H91 108.1 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C90 C94 C96 112.7(2) . . ?
C90 C94 C95 109.5(2) . . ?
C96 C94 C95 110.8(3) . . ?
C90 C94 H94 107.9 . . ?
C96 C94 H94 107.9 . . ?
C95 C94 H94 107.9 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
Si8 C99 H99A 109.5 . . ?
Si8 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
Si8 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
Si8 C100 H10A 109.5 . . ?
Si8 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
Si8 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 C106 118.58(18) . . ?
C102 C101 N7 120.12(18) . . ?
C106 C101 N7 121.30(19) . . ?
C103 C102 C101 119.43(19) . . ?
C103 C102 C107 118.03(19) . . ?
C101 C102 C107 122.50(18) . . ?
C103 C102 K3 69.99(11) . . ?
C101 C102 K3 90.96(12) . . ?
C107 C102 K3 110.15(11) . . ?
C104 C103 C102 122.0(2) . . ?
C104 C103 K3 82.52(13) . . ?
C102 C103 K3 85.49(12) . . ?
C104 C103 H103 119 . . ?
C102 C103 H103 119 . . ?
K3 C103 H103 102.4 . . ?
C103 C104 C105 118.51(19) . . ?
C103 C104 K3 72.97(11) . . ?
C105 C104 K3 90.22(13) . . ?
C103 C104 H104 120.7 . . ?
C105 C104 H104 120.7 . . ?
K3 C104 H104 106.4 . . ?
C104 C105 C106 121.8(2) . . ?
C104 C105 H105 119.1 . . ?
C106 C105 H105 119.1 . . ?
C105 C106 C101 119.6(2) . . ?
C105 C106 C110 118.3(2) . . ?
C101 C106 C110 122.1(2) . . ?
C102 C107 C108 109.78(18) . . ?
C102 C107 C109 111.30(17) . . ?
C108 C107 C109 110.8(2) . . ?
C102 C107 H107 108.3 . . ?
C108 C107 H107 108.3 . . ?
C109 C107 H107 108.3 . . ?
C107 C108 H10D 109.5 . . ?
C107 C108 H10E 109.5 . . ?
H10D C108 H10E 109.5 . . ?
C107 C108 H10F 109.5 . . ?
H10D C108 H10F 109.5 . . ?
H10E C108 H10F 109.5 . . ?
C107 C109 H10G 109.5 . . ?
C107 C109 H10H 109.5 . . ?
H10G C109 H10H 109.5 . . ?
C107 C109 H10I 109.5 . . ?
H10G C109 H10I 109.5 . . ?
H10H C109 H10I 109.5 . . ?
C106 C110 C112 111.1(2) . . ?
C106 C110 C111 111.5(2) . . ?
C112 C110 C111 109.0(3) . . ?
C106 C110 H110 108.4 . . ?
C112 C110 H110 108.4 . . ?
C111 C110 H110 108.4 . . ?
C110 C111 H11D 109.5 . . ?
C110 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C110 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C110 C112 H11G 109.5 . . ?
C110 C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C110 C112 H11I 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
N9 C113 C114 112.7(3) . . ?
N9 C113 H11J 109 . . ?
C114 C113 H11J 109 . . ?
N9 C113 H11K 109 . . ?
C114 C113 H11K 109 . . ?
H11J C113 H11K 107.8 . . ?
N10 C114 C113 112.4(3) . . ?
N10 C114 H11L 109.1 . . ?
C113 C114 H11L 109.1 . . ?
N10 C114 H11M 109.1 . . ?
C113 C114 H11M 109.1 . . ?
H11L C114 H11M 107.9 . . ?
N9 C115 H11N 109.5 . . ?
N9 C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
N9 C115 H11P 109.5 . . ?
H11N C115 H11P 109.5 . . ?
H11O C115 H11P 109.5 . . ?
N9 C116 H11Q 109.5 . . ?
N9 C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
N9 C116 H11S 109.5 . . ?
H11Q C116 H11S 109.5 . . ?
H11R C116 H11S 109.5 . . ?
N10 C117 H11T 109.5 . . ?
N10 C117 H11U 109.5 . . ?
H11T C117 H11U 109.5 . . ?
N10 C117 H11V 109.5 . . ?
H11T C117 H11V 109.5 . . ?
H11U C117 H11V 109.5 . . ?
N10 C118 H11W 109.5 . . ?
N10 C118 H11X 109.5 . . ?
H11W C118 H11X 109.5 . . ?
N10 C118 H11Y 109.5 . . ?
H11W C118 H11Y 109.5 . . ?
H11X C118 H11Y 109.5 . . ?
O4 Si7 N8 112.3(4) . . ?
O4 Si7 C97 103.2(7) . . ?
N8 Si7 C97 107.6(5) . . ?
O4 Si7 C98 113.1(8) . . ?
N8 Si7 C98 114.6(7) . . ?
C97 Si7 C98 104.8(7) . . ?
Si7 C97 H97A 109.5 . . ?
Si7 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
Si7 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
Si7 C98 H98A 109.5 . . ?
Si7 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
Si7 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
N8 Si7A O4 102.8(6) . . ?
N8 Si7A C98A 113.5(5) . . ?
O4 Si7A C98A 106.9(5) . . ?
N8 Si7A C97A 113.6(4) . . ?
O4 Si7A C97A 113.8(6) . . ?
C98A Si7A C97A 106.3(5) . . ?
Si7A C97A H97D 109.5 . . ?
Si7A C97A H97E 109.5 . . ?
H97D C97A H97E 109.5 . . ?
Si7A C97A H97F 109.5 . . ?
H97D C97A H97F 109.5 . . ?
H97E C97A H97F 109.5 . . ?
Si7A C98A H98D 109.5 . . ?
Si7A C98A H98E 109.5 . . ?
H98D C98A H98E 109.5 . . ?
Si7A C98A H98F 109.5 . . ?
H98D C98A H98F 109.5 . . ?
H98E C98A H98F 109.5 . . ?
C1A O1A K2 128.85(12) . . ?
C1A O1A K3 125.16(11) . . ?
K2 O1A K3 105.22(5) . . ?
C2A O2A Al1 96.45(10) . . ?
C2A O2A K1 94.38(10) . . ?
Al1 O2A K1 128.39(6) . . ?
C3A O3A Al2 113.81(12) . . ?
C3A O3A K1 90.25(9) . . ?
Al2 O3A K1 127.70(7) . . ?
C4A O4A K3 158.06(12) . . ?
C4A O4A K5 115.31(11) . . ?
K3 O4A K5 86.63(4) . . ?
C4A O4A K4 83.27(10) . . ?
K3 O4A K4 101.48(5) . . ?
K5 O4A K4 79.56(4) . . ?
C5A O5A K5 120.76(11) . . ?
C5A O5A K4 87.10(11) . . ?
K5 O5A K4 81.85(4) . . ?
C6A O6A K2 128.47(12) . . ?
C6A O6A K4 126.18(12) . . ?
K2 O6A K4 103.90(5) . . ?
C7A O7A Al3 96.83(10) . . ?
C7A O7A K6 94.23(10) . . ?
Al3 O7A K6 128.46(6) . . ?
C8A O8A Al4 113.96(11) . . ?
C8A O8A K6 90.95(9) . . ?
Al4 O8A K6 126.81(6) . . ?
C9A O9A K4 158.87(12) . . ?
C9A O9A K5 115.16(11) . . ?
K4 O9A K5 85.92(4) . . ?
C9A O9A K3 83.97(10) . . ?
K4 O9A K3 102.09(5) . . ?
K5 O9A K3 80.37(4) . . ?
C10A O10A K5 120.24(12) . . ?
C10A O10A K3 87.75(11) . . ?
K5 O10A K3 82.88(4) . . ?
O1A C1A C2A 126.59(16) . . ?
O1A C1A Al1 148.01(14) . . ?
C2A C1A Al1 84.92(11) . . ?
C3A C2A O2A 119.73(16) . . ?
C3A C2A C1A 134.61(16) . . ?
O2A C2A C1A 105.44(14) . . ?
C3A C2A Al1 167.45(13) . . ?
O2A C2A Al1 48.48(8) . . ?
C1A C2A Al1 57.70(9) . . ?
C3A C2A K1 74.72(10) . . ?
O2A C2A K1 58.59(8) . . ?
C1A C2A K1 139.77(11) . . ?
Al1 C2A K1 93.47(5) . . ?
O3A C3A C2A 118.02(16) . . ?
O3A C3A C4A 116.63(16) . . ?
C2A C3A C4A 125.20(16) . . ?
O3A C3A K1 62.73(8) . . ?
C2A C3A K1 78.79(10) . . ?
C4A C3A K1 124.67(12) . . ?
O4A C4A C3A 124.82(16) . . ?
O4A C4A C5A 121.90(17) . . ?
C3A C4A C5A 113.26(16) . . ?
O4A C4A K4 71.67(10) . . ?
C3A C4A K4 124.80(12) . . ?
C5A C4A K4 77.63(10) . . ?
O5A C5A C4A 117.54(17) . . ?
O5A C5A Al2 136.15(14) . . ?
C4A C5A Al2 106.06(13) . . ?
O5A C5A K4 68.32(10) . . ?
C4A C5A K4 74.13(10) . . ?
Al2 C5A K4 123.14(8) . . ?
O5A C5A K5 41.21(9) . . ?
C4A C5A K5 78.68(11) . . ?
Al2 C5A K5 169.84(8) . . ?
K4 C5A K5 66.57(4) . . ?
O6A C6A C7A 127.16(16) . . ?
O6A C6A Al3 147.28(15) . . ?
C7A C6A Al3 85.01(11) . . ?
O7A C7A C8A 119.60(16) . . ?
O7A C7A C6A 105.41(15) . . ?
C8A C7A C6A 134.80(16) . . ?
O7A C7A Al3 48.35(8) . . ?
C8A C7A Al3 167.34(14) . . ?
C6A C7A Al3 57.67(9) . . ?
O7A C7A K6 59.02(8) . . ?
C8A C7A K6 74.51(10) . . ?
C6A C7A K6 139.20(11) . . ?
Al3 C7A K6 93.78(5) . . ?
O8A C8A C7A 118.00(16) . . ?
O8A C8A C9A 116.36(16) . . ?
C7A C8A C9A 125.45(16) . . ?
O8A C8A K6 62.08(8) . . ?
C7A C8A K6 79.12(10) . . ?
C9A C8A K6 124.42(11) . . ?
O9A C9A C8A 124.77(16) . . ?
O9A C9A C10A 121.95(16) . . ?
C8A C9A C10A 113.28(16) . . ?
O9A C9A K3 71.04(10) . . ?
C8A C9A K3 125.94(11) . . ?
C10A C9A K3 76.79(10) . . ?
O10A C10A C9A 117.43(17) . . ?
O10A C10A Al4 136.34(14) . . ?
C9A C10A Al4 106.10(13) . . ?
O10A C10A K3 67.53(10) . . ?
C9A C10A K3 74.96(10) . . ?
Al4 C10A K3 124.70(8) . . ?
O10A C10A K5 41.70(9) . . ?
C9A C10A K5 78.38(10) . . ?
Al4 C10A K5 167.84(8) . . ?
K3 C10A K5 67.19(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
K1 O2A 2.6230(14) . ?
K1 O3A 2.6786(13) . ?
K1 C3A 3.0136(17) . ?
K1 C2A 3.0645(18) . ?
K1 C31 3.123(2) . ?
K1 C32 3.153(2) . ?
K1 C30 3.154(2) . ?
K1 C2 3.154(2) . ?
K1 C3 3.157(2) . ?
K1 C33 3.180(3) . ?
K1 C29 3.207(2) . ?
K1 C34 3.215(2) . ?
K2 O6A 2.6248(15) . ?
K2 O1A 2.6395(14) . ?
K2 C61 3.293(2) . ?
K2 C19 3.465(2) . ?
K2 K4 4.1813(6) . ?
K2 K3 4.2213(6) . ?
K3 O4A 2.5223(14) . ?
K3 O1A 2.6736(14) . ?
K3 O10A 2.8047(15) . ?
K3 O9A 2.8611(14) . ?
K3 C9A 3.0085(18) . ?
K3 C10A 3.0328(18) . ?
K3 C103 3.170(2) . ?
K3 C104 3.287(2) . ?
K3 C102 3.363(2) . ?
K3 K5 3.6589(6) . ?
K3 K4 4.1804(6) . ?
K4 O9A 2.5070(14) . ?
K4 O6A 2.6848(14) . ?
K4 O5A 2.8362(15) . ?
K4 O4A 2.8691(14) . ?
K4 C4A 3.0017(18) . ?
K4 C5A 3.0482(18) . ?
K4 C47 3.134(2) . ?
K4 C48 3.248(2) . ?
K4 C46 3.320(2) . ?
K4 C49 3.532(2) . ?
K4 K5 3.6296(6) . ?
K5 O5A 2.7027(16) . ?
K5 O10A 2.7226(16) . ?
K5 O4A 2.8030(15) . ?
K5 O9A 2.8093(14) . ?
K5 N9 2.901(2) . ?
K5 N10 2.963(3) . ?
K5 C5A 3.525(2) . ?
K5 C10A 3.536(2) . ?
K6 O7A 2.6488(14) . ?
K6 O8A 2.6718(13) . ?
K6 C8A 3.0234(18) . ?
K6 C7A 3.0810(18) . ?
K6 C86 3.138(2) . ?
K6 C87 3.145(2) . ?
K6 C75 3.146(2) . ?
K6 C74 3.155(2) . ?
K6 C85 3.200(2) . ?
K6 C88 3.204(2) . ?
K6 C76 3.212(2) . ?
K6 C73 3.2339(19) . ?
Si1 O1 1.6410(16) . ?
Si1 N1 1.7254(16) . ?
Si1 C14 1.852(2) . ?
Si1 C13 1.866(2) . ?
Si2 O1 1.6373(16) . ?
Si2 N2 1.7315(16) . ?
Si2 C15 1.851(3) . ?
Si2 C16 1.870(2) . ?
Si3 O2 1.6504(19) . ?
Si3 N3 1.7287(16) . ?
Si3 C42 1.856(3) . ?
Si3 C41 1.859(3) . ?
Si4 O2 1.6512(18) . ?
Si4 N4 1.7224(17) . ?
Si4 C44 1.860(2) . ?
Si4 C43 1.865(3) . ?
Si5 O3 1.6338(16) . ?
Si5 N5 1.7328(16) . ?
Si5 C69 1.857(3) . ?
Si5 C70 1.867(3) . ?
Si6 O3 1.6417(16) . ?
Si6 N6 1.7196(17) . ?
Si6 C72 1.858(2) . ?
Si6 C71 1.860(3) . ?
Si8 O4 1.645(2) . ?
Si8 N7 1.7233(18) . ?
Si8 C99 1.855(3) . ?
Si8 C100 1.868(4) . ?
Al1 O2A 1.8203(14) . ?
Al1 N2 1.8409(17) . ?
Al1 N1 1.8476(16) . ?
Al1 C1A 2.0499(19) . ?
Al1 C2A 2.4158(18) . ?
Al2 O3A 1.8073(14) . ?
Al2 N3 1.8582(17) . ?
Al2 N4 1.8590(16) . ?
Al2 C5A 2.005(2) . ?
Al3 O7A 1.8199(14) . ?
Al3 N5 1.8447(17) . ?
Al3 N6 1.8496(16) . ?
Al3 C6A 2.0512(19) . ?
Al3 C7A 2.4182(18) . ?
Al4 O8A 1.8046(14) . 6(
Al4 N7 1.8575(17) . ?
Al4 N8 1.8616(17) . ?
Al4 C10A 2.005(2) . ?
O4 Si7 1.483(12) . ?
O4 Si7A 1.778(12) . ?
N1 C1 1.425(2) . ?
N2 C17 1.437(2) . ?
N3 C29 1.424(2) . ?
N4 C45 1.434(2) . ?
N5 C57 1.438(2) . ?
N6 C73 1.427(3) . ?
N7 C101 1.432(2) . ?
N8 C85 1.427(2) . ?
N8 Si7A 1.702(5) . ?
N8 Si7 1.784(11) . ?
N9 C115 1.447(5) . ?
N9 C113 1.458(4) . ?
N9 C116 1.458(4) . ?
N10 C118 1.456(5) . ?
N10 C114 1.457(4) . ?
N10 C117 1.462(5) . ?
C1 C6 1.416(3) . ?
C1 C2 1.419(3) . ?
C2 C3 1.396(3) . ?
C2 C7 1.515(3) . ?
C3 C4 1.380(4) . ?
C3 H3 0.95 . ?
C4 C5 1.385(3) . ?
C4 H4 0.95 . ?
C5 C6 1.397(3) . ?
C5 H5 0.95 . ?
C6 C10 1.524(3) . ?
C7 C9 1.531(3) . ?
C7 C8 1.543(3) . ?
C7 H7 1 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 C11 1.532(3) . ?
C10 C12 1.536(3) . ?
C10 H10 1 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 C22 1.412(3) . ?
C17 C18 1.416(3) . ?
C18 C19 1.390(3) . ?
C18 C23 1.521(3) . ?
C19 C20 1.386(4) . ?
C19 H19 0.95 . ?
C20 C21 1.383(4) . ?
C20 H20 0.95 . ?
C21 C22 1.397(3) . ?
C21 H21 0.95 . ?
C22 C26 1.519(3) . ?
C23 C24 1.531(3) . ?
C23 C25 1.537(3) . ?
C23 H23 1 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 C27 1.525(4) . ?
C26 C28 1.538(4) . ?
C26 H26 1 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 C30 1.407(4) . ?
C29 C34 1.415(4) . ?
C30 C31 1.402(3) . ?
C30 C35 1.510(4) . ?
C31 C32 1.378(5) . ?
C31 H31 0.95 . ?
C32 C33 1.374(5) . ?
C32 H32 0.95 . ?
C33 C34 1.403(3) . ?
C33 H33 0.95 . ?
C34 C38 1.512(4) . ?
C35 C36 1.532(5) . ?
C35 C37 1.540(4) . ?
C35 H35 1 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 C40 1.528(4) . ?
C38 C39 1.540(4) . ?
C38 H38 1 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 H41A 0.98 . ?
C41 H41B 0.98 . ?
C41 H41C 0.98 . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 H44A 0.98 . ?
C44 H44B 0.98 . ?
C44 H44C 0.98 . ?
C45 C46 1.412(3) . ?
C45 C50 1.416(3) . ?
C46 C47 1.397(3) . ?
C46 C51 1.515(3) . ?
C47 C48 1.376(3) . ?
C47 H47 0.95 . ?
C48 C49 1.384(3) . ?
C48 H48 0.95 . ?
C49 C50 1.398(3) . ?
C49 H49 0.95 . ?
C50 C54 1.524(3) . ?
C51 C53 1.530(3) . ?
C51 C52 1.533(3) . ?
C51 H51 1 . ?
C52 H52A 0.98 . ?
C52 H52B 0.98 . ?
C52 H52C 0.98 . ?
C53 H53A 0.98 . ?
C53 H53B 0.98 . ?
C53 H53C 0.98 . ?
C54 C55 1.519(4) . ?
C54 C56 1.553(3) . ?
C54 H54 1 . ?
C55 H55A 0.98 . ?
C55 H55B 0.98 . ?
C55 H55C 0.98 . ?
C56 H56A 0.98 . ?
C56 H56B 0.98 . ?
C56 H56C 0.98 . ?
C57 C62 1.415(3) . ?
C57 C58 1.420(3) . ?
C58 C59 1.402(3) . ?
C58 C63 1.515(3) . ?
C59 C60 1.376(3) . ?
C59 H59 0.95 . ?
C60 C61 1.384(3) . ?
C60 H60 0.95 . ?
C61 C62 1.398(3) . ?
C61 H61 0.95 . ?
C62 C66 1.516(3) . ?
C63 C65 1.516(3) . ?
C63 C64 1.535(3) . ?
C63 H63 1 . ?
C64 H64A 0.98 . ?
C64 H64B 0.98 . ?
C64 H64C 0.98 . ?
C65 H65A 0.98 . ?
C65 H65B 0.98 . ?
C65 H65C 0.98 . ?
C66 C68 1.530(3) . ?
C66 C67 1.536(3) . ?
C66 H66 1 . ?
C67 H67A 0.98 . ?
C67 H67B 0.98 . ?
C67 H67C 0.98 . ?
C68 H68A 0.98 . ?
C68 H68B 0.98 . ?
C68 H68C 0.98 . ?
C69 H69A 0.98 . ?
C69 H69B 0.98 . ?
C69 H69C 0.98 . ?
C70 H70A 0.98 . ?
C70 H70B 0.98 . ?
C70 H70C 0.98 . ?
C71 H71A 0.98 . ?
C71 H71B 0.98 . ?
C71 H71C 0.98 . ?
C72 H72A 0.98 . ?
C72 H72B 0.98 . ?
C72 H72C 0.98 . ?
C73 C78 1.418(3) . ?
C73 C74 1.419(3) . ?
C74 C75 1.396(4) . ?
C74 C79 1.519(3) . ?
C75 C76 1.381(4) . ?
C75 H75 0.95 . ?
C76 C77 1.384(4) . ?
C76 H76 0.95 . ?
C77 C78 1.399(3) . ?
C77 H77 0.95 . ?
C78 C82 1.517(3) . ?
C79 C80 1.529(3) . ?
C79 C81 1.542(3) . ?
C79 H79 1 . ?
C80 H80A 0.98 . ?
C80 H80B 0.98 . ?
C80 H80C 0.98 . ?
C81 H81A 0.98 . ?
C81 H81B 0.98 . ?
C81 H81C 0.98 . ?
C82 C84 1.529(3) . ?
C82 C83 1.533(3) . ?
C82 H82 1 . ?
C83 H83A 0.98 . ?
C83 H83B 0.98 . ?
C83 H83C 0.98 . ?
C84 H84A 0.98 . ?
C84 H84B 0.98 . ?
C84 H84C 0.98 . ?
C85 C90 1.418(3) . ?
C85 C86 1.419(3) . ?
C86 C87 1.392(3) . ?
C86 C91 1.521(3) . ?
C87 C88 1.380(3) . ?
C87 H87 0.95 . ?
C88 C89 1.383(4) . ?
C88 H88 0.95 . ?
C89 C90 1.394(3) . ?
C89 H89 0.95 . ?
C90 C94 1.518(3) . ?
C91 C92 1.526(4) . ?
C91 C93 1.541(3) . ?
C91 H91 1 . ?
C92 H92A 0.98 . ?
C92 H92B 0.98 . ?
C92 H92C 0.98 . ?
C93 H93A 0.98 . ?
C93 H93B 0.98 . ?
C93 H93C 0.98 . ?
C94 C96 1.530(4) . ?
C94 C95 1.534(4) . ?
C94 H94 1 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
C96 H96A 0.98 . ?
C96 H96B 0.98 . ?
C96 H96C 0.98 . ?
C99 H99A 0.98 . ?
C99 H99B 0.98 . ?
C99 H99C 0.98 . ?
C100 H10A 0.98 . ?
C100 H10B 0.98 . ?
C100 H10C 0.98 . ?
C101 C102 1.412(3) . ?
C101 C106 1.415(3) . ?
C102 C103 1.400(3) . ?
C102 C107 1.519(3) . ?
C103 C104 1.375(3) . ?
C103 H103 0.95 . ?
C104 C105 1.385(3) . ?
C104 H104 0.95 . ?
C105 C106 1.394(3) . ?
C105 H105 0.95 . ?
C106 C110 1.515(3) . ?
C107 C108 1.525(3) . ?
C107 C109 1.531(3) . ?
C107 H107 1 . ?
C108 H10D 0.98 . ?
C108 H10E 0.98 . ?
C108 H10F 0.98 . ?
C109 H10G 0.98 . ?
C109 H10H 0.98 . ?
C109 H10I 0.98 . ?
C110 C112 1.523(5) . ?
C110 C111 1.560(4) . ?
C110 H110 1 . ?
C111 H11D 0.98 . ?
C111 H11E 0.98 . ?
C111 H11F 0.98 . ?
C112 H11G 0.98 . ?
C112 H11H 0.98 . ?
C112 H11I 0.98 . ?
C113 C114 1.514(5) . ?
C113 H11J 0.99 . ?
C113 H11K 0.99 . ?
C114 H11L 0.99 . ?
C114 H11M 0.99 . ?
C115 H11N 0.98 . ?
C115 H11O 0.98 . ?
C115 H11P 0.98 . ?
C116 H11Q 0.98 . ?
C116 H11R 0.98 . ?
C116 H11S 0.98 . ?
C117 H11T 0.98 . ?
C117 H11U 0.98 . ?
C117 H11V 0.98 . ?
C118 H11W 0.98 . ?
C118 H11X 0.98 . ?
C118 H11Y 0.98 . ?
Si7 C97 1.829(14) . ?
Si7 C98 1.872(17) . ?
C97 H97A 0.98 . ?
C97 H97B 0.98 . ?
C97 H97C 0.98 . ?
C98 H98A 0.98 . ?
C98 H98B 0.98 . ?
C98 H98C 0.98 . ?
Si7A C98A 1.854(13) . ?
Si7A C97A 1.868(10) . ?
C97A H97D 0.98 . ?
C97A H97E 0.98 . ?
C97A H97F 0.98 . ?
C98A H98D 0.98 . ?
C98A H98E 0.98 . ?
C98A H98F 0.98 . ?
O1A C1A 1.254(2) . ?
O2A C2A 1.397(2) . ?
O3A C3A 1.369(2) . ?
O4A C4A 1.280(2) . ?
O5A C5A 1.270(3) . ?
O6A C6A 1.253(2) . ?
O7A C7A 1.391(2) . ?
O8A C8A 1.371(2) . ?
O9A C9A 1.278(2) . ?
O10A C10A 1.269(2) . ?
C1A C2A 1.472(2) . ?
C2A C3A 1.393(3) . ?
C3A C4A 1.454(3) . ?
C4A C5A 1.477(2) . ?
C6A C7A 1.471(3) . ?
C7A C8A 1.394(3) . ?
C8A C9A 1.461(3) . ?
C9A C10A 1.475(2) . ?
