#------------------------------------------------------------------------------
#$Date: 2022-04-08 01:09:25 +0300 (Fri, 08 Apr 2022) $
#$Revision: 274416 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/67/1566762.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_1566762
loop_
_publ_author_name
'Evans, Matthew J.'
'Anker, Mathew D.'
'McMullin, Claire L.'
'Neale, Samuel E.'
'Rajabi, Nasir A.'
'Coles, Martyn P.'
_publ_section_title
;
 Carbon--chalcogen bond formation initiated by [Al(NONDipp)(E)]−
 anions containing Al--E{16} (E{16} = S, Se) multiple bonds
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC01064J
_journal_year                    2022
_chemical_formula_moiety         'C42 H58 Al K N2 O3 S Si2, C7 H8'
_chemical_formula_sum            'C49 H66 Al K N2 O3 S Si2'
_chemical_formula_weight         885.35
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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             2020-05-28T14:42:24-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2021-07-17 deposited with the CCDC.	2022-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.1317(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.78551(10)
_cell_length_b                   13.04163(7)
_cell_length_c                   25.96015(16)
_cell_measurement_reflns_used    36788
_cell_measurement_temperature    119.98(10)
_cell_measurement_theta_max      73.565
_cell_measurement_theta_min      3.816
_cell_measurement_wavelength     1.54184
_cell_volume                     4854.33(5)
_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      119.98(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0856
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.9962
_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      0.0774025
_diffrn_orient_matrix_UB_12      0.0729916
_diffrn_orient_matrix_UB_13      -0.0079843
_diffrn_orient_matrix_UB_21      0.0210364
_diffrn_orient_matrix_UB_22      -0.0728956
_diffrn_orient_matrix_UB_23      -0.042305
_diffrn_orient_matrix_UB_31      -0.0715748
_diffrn_orient_matrix_UB_32      0.0573915
_diffrn_orient_matrix_UB_33      -0.0434998
_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  0.0276
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            66239
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        74.0807
_diffrn_reflns_theta_max         73.4985
_diffrn_reflns_theta_min         3.3889
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.327
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.48
_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            colourless
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.314
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.088
_refine_diff_density_max         1.517
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     514
_refine_ls_number_reflns         9751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0679P)²+6.7370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1311
_refine_ls_wR_factor_ref         0.1337
_reflns_number_gt                8999
_reflns_number_total             9751
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc01064j2.cif
_cod_data_source_block           K[4-S]
_cod_database_code               1566762
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
K K 0.16299(3) 0.98922(4) 0.04342(2) 0.02398(12) Uani 1 d . .
S S 0.04563(3) 0.97325(4) -0.08278(2) 0.01754(12) Uani 1 d . .
Si1 Si 0.34659(4) 0.62534(4) -0.08452(2) 0.01533(13) Uani 1 d . .
Si2 Si 0.26580(4) 0.57251(4) 0.00814(2) 0.01438(12) Uani 1 d . .
Al Al 0.20145(4) 0.77129(4) -0.05379(2) 0.01198(13) Uani 1 d . .
O1 O 0.32191(10) 0.55206(11) -0.03821(6) 0.0187(3) Uani 1 d . .
O2 O 0.07828(10) 0.76939(11) -0.07370(6) 0.0166(3) Uani 1 d . .
O3 O 0.22226(10) 0.90580(11) -0.04303(6) 0.0161(3) Uani 1 d . .
N1 N 0.25515(11) 0.71091(13) -0.10376(7) 0.0145(3) Uani 1 d . .
N2 N 0.24444(11) 0.70243(13) 0.00964(6) 0.0135(3) Uani 1 d . .
C1 C 0.22224(14) 0.73475(15) -0.15930(8) 0.0148(4) Uani 1 d . .
C2 C 0.27054(15) 0.80663(16) -0.18390(8) 0.0194(4) Uani 1 d . .
C3 C 0.24137(19) 0.8232(2) -0.23829(10) 0.0320(6) Uani 1 d . .
H3 H 0.274 0.8713 -0.2545 0.038 Uiso 1 calc . .
C4 C 0.1661(2) 0.7716(2) -0.26944(10) 0.0387(7) Uani 1 d . .
H4 H 0.1485 0.782 -0.3068 0.046 Uiso 1 calc . .
C5 C 0.11680(18) 0.7044(2) -0.24522(9) 0.0288(5) Uani 1 d . .
H5 H 0.0638 0.6705 -0.2664 0.035 Uiso 1 calc . .
C6 C 0.14239(15) 0.68504(16) -0.19090(8) 0.0175(4) Uani 1 d . .
C7 C 0.35506(16) 0.86598(18) -0.15322(9) 0.0248(5) Uani 1 d . .
H7 H 0.363 0.8522 -0.1145 0.03 Uiso 1 calc . .
C8 C 0.44373(18) 0.8314(2) -0.16877(12) 0.0386(6) Uani 1 d . .
H8A H 0.4495 0.7567 -0.1656 0.058 Uiso 1 calc . .
H8B H 0.4982 0.8637 -0.1451 0.058 Uiso 1 calc . .
H8C H 0.4403 0.8517 -0.2055 0.058 Uiso 1 calc . .
C9 C 0.3438(2) 0.98150(19) -0.16239(11) 0.0339(6) Uani 1 d . .
H9A H 0.3437 0.9973 -0.1993 0.051 Uiso 1 calc . .
H9B H 0.3956 1.0174 -0.1385 0.051 Uiso 1 calc . .
H9C H 0.2847 1.0039 -0.1553 0.051 Uiso 1 calc . .
C10 C 0.08386(15) 0.60956(16) -0.16772(8) 0.0181(4) Uani 1 d . .
H10 H 0.0947 0.6251 -0.129 0.022 Uiso 1 calc . .
C11 C -0.02090(16) 0.61940(19) -0.19222(11) 0.0291(5) Uani 1 d . .
H11A H -0.0393 0.6916 -0.1923 0.044 Uiso 1 calc . .
H11B H -0.0552 0.5793 -0.1713 0.044 Uiso 1 calc . .
H11C H -0.0354 0.5936 -0.2288 0.044 Uiso 1 calc . .
C12 C 0.11347(19) 0.49901(18) -0.17269(13) 0.0346(6) Uani 1 d . .
H12A H 0.1068 0.4824 -0.2102 0.052 Uiso 1 calc . .
H12B H 0.0739 0.4531 -0.1578 0.052 Uiso 1 calc . .
H12C H 0.1787 0.4903 -0.1533 0.052 Uiso 1 calc . .
C13 C 0.46379(15) 0.68334(18) -0.05405(9) 0.0233(4) Uani 1 d . .
H13A H 0.4553 0.7507 -0.0391 0.035 Uiso 1 calc . .
H13B H 0.4988 0.6912 -0.0814 0.035 Uiso 1 calc . .
H13C H 0.4983 0.6384 -0.0258 0.035 Uiso 1 calc . .
C14 C 0.36324(17) 0.54294(19) -0.14032(9) 0.0253(5) Uani 1 d . .
H14A H 0.4298 0.5287 -0.1357 0.038 Uiso 1 calc . .
H14B H 0.3392 0.5786 -0.1741 0.038 Uiso 1 calc . .
H14C H 0.3295 0.4782 -0.1404 0.038 Uiso 1 calc . .
C15 C 0.33917(17) 0.52531(17) 0.07242(9) 0.0240(5) Uani 1 d . .
H15A H 0.3502 0.4516 0.0698 0.036 Uiso 1 calc . .
H15B H 0.307 0.5377 0.1007 0.036 Uiso 1 calc . .
H15C H 0.399 0.5617 0.0807 0.036 Uiso 1 calc . .
C16 C 0.15609(16) 0.49605(16) -0.01308(9) 0.0223(4) Uani 1 d . .
H16A H 0.1141 0.5295 -0.0435 0.033 Uiso 1 calc . .
H16B H 0.1255 0.4917 0.0164 0.033 Uiso 1 calc . .
H16C H 0.1711 0.4269 -0.0232 0.033 Uiso 1 calc . .
C17 C 0.25017(14) 0.75647(15) 0.05835(8) 0.0146(4) Uani 1 d . .
C18 C 0.17370(15) 0.75918(16) 0.08238(8) 0.0183(4) Uani 1 d . .
C19 C 0.18059(17) 0.81688(18) 0.12871(9) 0.0241(5) Uani 1 d . .
H19 H 0.1294 0.8181 0.1448 0.029 Uiso 1 calc . .
C20 C 0.26015(17) 0.87219(18) 0.15159(9) 0.0251(5) Uani 1 d . .
H20 H 0.2631 0.912 0.1826 0.03 Uiso 1 calc . .
C21 C 0.33560(16) 0.86869(17) 0.12852(9) 0.0221(4) Uani 1 d . .
H21 H 0.3902 0.9068 0.144 0.027 Uiso 1 calc . .
C22 C 0.33274(14) 0.81031(16) 0.08312(8) 0.0170(4) Uani 1 d . .
C23 C 0.08524(15) 0.69773(17) 0.06097(9) 0.0209(4) Uani 1 d . .
H23 H 0.088 0.6686 0.0257 0.025 Uiso 1 calc . .
C24 C -0.00198(17) 0.7645(2) 0.05284(11) 0.0319(6) Uani 1 d . .
H24A H -0.004 0.7971 0.0865 0.048 Uiso 1 calc . .
H24B H -0.0576 0.7218 0.0405 0.048 Uiso 1 calc . .
H24C H -0.0003 0.8174 0.0263 0.048 Uiso 1 calc . .
C25 C 0.08026(19) 0.6084(2) 0.09846(10) 0.0328(6) Uani 1 d . .
H25A H 0.136 0.5655 0.1026 0.049 Uiso 1 calc . .
H25B H 0.0246 0.5672 0.0836 0.049 Uiso 1 calc . .
H25C H 0.077 0.6353 0.1332 0.049 Uiso 1 calc . .
C26 C 0.42062(14) 0.80210(17) 0.06295(8) 0.0189(4) Uani 1 d . .
H26 H 0.4093 0.7489 0.0343 0.023 Uiso 1 calc . .
C27 C 0.44430(16) 0.90252(19) 0.03876(9) 0.0255(5) Uani 1 d . .
H27A H 0.3961 0.9177 0.0064 0.038 Uiso 1 calc . .
H27B H 0.5049 0.8959 0.03 0.038 Uiso 1 calc . .
H27C H 0.4471 0.9583 0.0644 0.038 Uiso 1 calc . .
C28 C 0.50309(16) 0.76596(19) 0.10733(9) 0.0251(5) Uani 1 d . .
H28A H 0.5191 0.8193 0.1347 0.038 Uiso 1 calc . .
H28B H 0.5569 0.7526 0.0925 0.038 Uiso 1 calc . .
H28C H 0.4859 0.7029 0.1232 0.038 Uiso 1 calc . .
C29 C 0.02217(14) 0.83844(15) -0.10647(8) 0.0160(4) Uani 1 d . .
H29 H 0.034 0.8328 -0.1427 0.019 Uiso 1 calc . .
C30 C -0.08089(14) 0.81976(16) -0.11100(8) 0.0172(4) Uani 1 d . .
C31 C -0.10904(16) 0.74439(19) -0.08064(10) 0.0264(5) Uani 1 d . .
H31 H -0.0636 0.7038 -0.0572 0.032 Uiso 1 calc . .
C32 C -0.20331(18) 0.7278(2) -0.08433(12) 0.0355(6) Uani 1 d . .
H32 H -0.2219 0.677 -0.0628 0.043 Uiso 1 calc . .
C33 C -0.27025(16) 0.7850(2) -0.11922(11) 0.0332(6) Uani 1 d . .
H33 H -0.3346 0.7735 -0.1217 0.04 Uiso 1 calc . .
C34 C -0.24273(16) 0.85894(19) -0.15048(10) 0.0281(5) Uani 1 d . .
H34 H -0.2885 0.8977 -0.1748 0.034 Uiso 1 calc . .
C35 C -0.14840(15) 0.87697(17) -0.14650(9) 0.0216(4) Uani 1 d . .
H35 H -0.13 0.9281 -0.1679 0.026 Uiso 1 calc . .
C36 C 0.17250(14) 0.97101(15) -0.08222(8) 0.0163(4) Uani 1 d . .
H36 H 0.1786 0.9449 -0.1174 0.02 Uiso 1 calc . .
C37 C 0.20749(15) 1.08073(16) -0.07616(9) 0.0197(4) Uani 1 d . .
C38 C 0.17452(17) 1.15002(18) -0.11727(11) 0.0286(5) Uani 1 d . .
H38 H 0.1297 1.1284 -0.1482 0.034 Uiso 1 calc . .
C39 C 0.2067(2) 1.25030(19) -0.11346(13) 0.0381(7) Uani 1 d . .
H39 H 0.1843 1.2968 -0.1419 0.046 Uiso 1 calc . .
C40 C 0.2711(2) 1.28266(18) -0.06853(14) 0.0395(7) Uani 1 d . .
H40 H 0.2923 1.3517 -0.0658 0.047 Uiso 1 calc . .
C41 C 0.30464(19) 1.2147(2) -0.02746(13) 0.0356(6) Uani 1 d . .
H41 H 0.3489 1.237 0.0035 0.043 Uiso 1 calc . .
C42 C 0.27347(16) 1.11291(17) -0.03146(10) 0.0245(5) Uani 1 d . .
H42 H 0.2976 1.0659 -0.0035 0.029 Uiso 1 calc . .
C1A C 0.6236(3) 0.4620(3) -0.2253(2) 0.0380(16) Uiso 0.465(7) d A 1
C2A C 0.5324(3) 0.4982(4) -0.2398(2) 0.048(2) Uiso 0.465(7) d A 1
H2A H 0.4817 0.4517 -0.2436 0.058 Uiso 0.465(7) calc A 1
C3A C 0.5155(3) 0.6023(5) -0.2488(3) 0.084(3) Uiso 0.465(7) d A 1
H3A H 0.4532 0.627 -0.2587 0.101 Uiso 0.465(7) calc A 1
C4A C 0.5897(5) 0.6702(3) -0.2432(3) 0.075(3) Uiso 0.465(7) d A 1
H4A H 0.5782 0.7414 -0.2493 0.09 Uiso 0.465(7) calc A 1
C5A C 0.6808(4) 0.6340(4) -0.2287(3) 0.088(3) Uiso 0.465(7) d A 1
H5A H 0.7316 0.6804 -0.2249 0.106 Uiso 0.465(7) calc A 1
C6A C 0.6978(3) 0.5299(5) -0.2198(3) 0.056(2) Uiso 0.465(7) d A 1
H6A H 0.76 0.5052 -0.2099 0.067 Uiso 0.465(7) calc A 1
C7A C 0.6736(9) 0.3724(9) -0.2118(5) 0.082(3) Uiso 0.465(7) d A 1
H7A1 H 0.7405 0.3874 -0.2045 0.124 Uiso 0.233(4) calc A 1
H7A2 H 0.659 0.3427 -0.1801 0.124 Uiso 0.233(4) calc A 1
H7A3 H 0.6568 0.3236 -0.2413 0.124 Uiso 0.233(4) calc A 1
H7A4 H 0.6304 0.3151 -0.2128 0.124 Uiso 0.233(4) calc A 1
H7A5 H 0.7118 0.3598 -0.2372 0.124 Uiso 0.233(4) calc A 1
H7A6 H 0.7141 0.3789 -0.176 0.124 Uiso 0.233(4) calc A 1
C1B C 0.5889(4) 0.5965(4) -0.2424(3) 0.067(2) Uiso 0.535(7) d A 2
C2B C 0.6821(3) 0.5679(5) -0.2263(2) 0.0467(16) Uiso 0.535(7) d A 2
H2B H 0.7297 0.6179 -0.2235 0.056 Uiso 0.535(7) calc A 2
C3B C 0.7056(4) 0.4660(5) -0.2141(3) 0.107(4) Uiso 0.535(7) d A 2
H3B H 0.7693 0.4464 -0.2031 0.129 Uiso 0.535(7) calc A 2
C4B C 0.6360(5) 0.3928(4) -0.2181(3) 0.122(5) Uiso 0.535(7) d A 2
H4B H 0.652 0.3232 -0.2097 0.147 Uiso 0.535(7) calc A 2
C5B C 0.5428(5) 0.4214(5) -0.2342(3) 0.081(3) Uiso 0.535(7) d A 2
H5B H 0.4951 0.3714 -0.2369 0.097 Uiso 0.535(7) calc A 2
C6B C 0.5192(3) 0.5233(5) -0.2464(3) 0.117(5) Uiso 0.535(7) d A 2
H6B H 0.4555 0.5429 -0.2574 0.141 Uiso 0.535(7) calc A 2
C7B C 0.5381(11) 0.6781(12) -0.2576(6) 0.138(5) Uiso 0.535(7) d A 2
H7B1 H 0.4719 0.6597 -0.2653 0.207 Uiso 0.267(4) calc A 2
H7B2 H 0.5517 0.7296 -0.2293 0.207 Uiso 0.267(4) calc A 2
H7B3 H 0.5526 0.7063 -0.2897 0.207 Uiso 0.267(4) calc A 2
H7B4 H 0.5789 0.7374 -0.2575 0.207 Uiso 0.267(4) calc A 2
H7B5 H 0.4991 0.6675 -0.2936 0.207 Uiso 0.267(4) calc A 2
H7B6 H 0.4982 0.6908 -0.2332 0.207 Uiso 0.267(4) calc A 2
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'
S S 0.3331 0.5567 '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
-1 8 -6 0.1371
-6 0 -9 0.0629
-3 -8 1 0.1389
6 -1 9 0.0484
7 -6 -3 0.125
-1 1 16 0.0597
-1 0 -16 0.0484
0 -1 -16 0.0511
1 0 16 0.0377
0 5 -13 0.1154
8 3 -9 0.0969
9 0 0 0.0497
-7 3 -6 0.089
-6 -5 12 0.0999
9 0 -7 0.0494
7 2 -13 0.0787
-4 -3 15 0.0785
-9 1 7 0.0731
6 0 -15 0.0567
0 3 16 0.0727
-5 7 8 0.1515
-3 -6 -9 0.1185
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
O3 K C19 107.37(5) . . ?
O3 K C18 83.53(5) . . ?
C19 K C18 25.78(5) . . ?
O3 K C20 110.68(5) . . ?
C19 K C20 25.20(6) . . ?
C18 K C20 44.89(6) . . ?
O3 K C35 163.72(5) . 3_575 ?
C19 K C35 79.23(6) . 3_575 ?
C18 K C35 104.77(6) . 3_575 ?
C20 K C35 68.90(6) . 3_575 ?
O3 K C42 54.35(5) . . ?
C19 K C42 144.42(6) . . ?
C18 K C42 131.97(6) . . ?
C20 K C42 125.11(6) . . ?
C35 K C42 111.71(6) 3_575 . ?
O3 K C17 63.12(4) . . ?
C19 K C17 44.62(5) . . ?
C18 K C17 25.35(5) . . ?
C20 K C17 51.57(5) . . ?
C35 K C17 120.19(5) 3_575 . ?
C42 K C17 106.79(5) . . ?
O3 K C36 24.63(4) . . ?
C19 K C36 129.17(6) . . ?
C18 K C36 103.70(5) . . ?
C20 K C36 135.29(6) . . ?
C35 K C36 151.53(6) 3_575 . ?
C42 K C36 45.45(5) . . ?
C17 K C36 86.56(5) . . ?
O3 K S 51.62(3) . . ?
C19 K S 126.03(5) . . ?
C18 K S 103.29(4) . . ?
C20 K S 148.01(4) . . ?
C35 K S 136.36(4) 3_575 . ?
C42 K S 70.08(5) . . ?
C17 K S 98.87(4) . . ?
C36 K S 32.83(4) . . ?
O3 K C21 90.52(5) . . ?
C19 K C21 43.32(6) . . ?
C18 K C21 50.90(6) . . ?
C20 K C21 24.43(6) . . ?
C35 K C21 84.34(5) 3_575 . ?
C42 K C21 102.40(6) . . ?
C17 K C21 43.18(5) . . ?
C36 K C21 114.19(5) . . ?
S K C21 139.10(4) . . ?
O3 K C34 140.03(5) . 3_575 ?
C19 K C34 83.49(6) . 3_575 ?
C18 K C34 108.24(6) . 3_575 ?
C20 K C34 64.39(6) . 3_575 ?
C35 K C34 24.16(6) 3_575 3_575 ?
C42 K C34 94.32(6) . 3_575 ?
C17 K C34 113.34(5) . 3_575 ?
C36 K C34 139.67(6) . 3_575 ?
S K C34 147.30(5) . 3_575 ?
C21 K C34 71.01(6) . 3_575 ?
O3 K C22 68.05(5) . . ?
C19 K C22 50.41(6) . . ?
C18 K C22 43.51(5) . . ?
C20 K C22 42.99(5) . . ?
C35 K C22 108.18(5) 3_575 . ?
C42 K C22 94.60(6) . . ?
C17 K C22 24.45(5) . . ?
C36 K C22 92.50(5) . . ?
S K C22 115.21(4) . . ?
C21 K C22 23.90(5) . . ?
C34 K C22 93.98(5) 3_575 . ?
C29 S C36 95.34(9) . . ?
C29 S K 113.25(7) . . ?
C36 S K 73.26(7) . . ?
C29 S K 96.97(6) . 3_575 ?
C36 S K 161.64(7) . 3_575 ?
K S K 89.356(17) . 3_575 ?
O1 Si1 N1 106.77(8) . . ?
O1 Si1 C14 109.11(10) . . ?
N1 Si1 C14 112.89(10) . . ?
O1 Si1 C13 105.81(9) . . ?
N1 Si1 C13 115.93(10) . . ?
C14 Si1 C13 105.99(10) . . ?
O1 Si2 N2 107.71(8) . . ?
O1 Si2 C15 108.40(9) . . ?
N2 Si2 C15 112.00(9) . . ?
O1 Si2 C16 104.77(9) . . ?
N2 Si2 C16 112.34(9) . . ?
C15 Si2 C16 111.23(11) . . ?
O2 Al O3 100.65(7) . . ?
O2 Al N2 111.08(7) . . ?
O3 Al N2 109.18(7) . . ?
O2 Al N1 112.09(7) . . ?
O3 Al N1 116.01(8) . . ?
N2 Al N1 107.72(8) . . ?
O2 Al K 84.13(5) . . ?
O3 Al K 40.40(5) . . ?
N2 Al K 81.46(5) . . ?
N1 Al K 155.46(6) . . ?
Si2 O1 Si1 133.11(9) . . ?
C29 O2 Al 126.63(13) . . ?
C36 O3 Al 116.41(12) . . ?
C36 O3 K 97.73(11) . . ?
Al O3 K 115.29(7) . . ?
C1 N1 Si1 118.55(13) . . ?
C1 N1 Al 120.78(13) . . ?
Si1 N1 Al 120.67(9) . . ?
C17 N2 Si2 122.11(13) . . ?
C17 N2 Al 118.77(13) . . ?
Si2 N2 Al 118.83(9) . . ?
C6 C1 C2 118.68(18) . . ?
C6 C1 N1 120.71(18) . . ?
C2 C1 N1 120.59(18) . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 C7 117.70(19) . . ?
C1 C2 C7 122.66(19) . . ?
C4 C3 C2 121.7(2) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 118.7(2) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 122.1(2) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 119.01(19) . . ?
C5 C6 C10 118.45(19) . . ?
C1 C6 C10 122.53(18) . . ?
C2 C7 C9 112.1(2) . . ?
C2 C7 C8 111.1(2) . . ?
C9 C7 C8 108.5(2) . . ?
C2 C7 H7 108.4 . . ?
C9 C7 H7 108.4 . . ?
C8 C7 H7 108.4 . . ?
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 . . ?
C12 C10 C6 112.01(18) . . ?
C12 C10 C11 109.11(19) . . ?
C6 C10 C11 113.30(18) . . ?
C12 C10 H10 107.4 . . ?
C6 C10 H10 107.4 . . ?
C11 C10 H10 107.4 . . ?
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 . . ?
C18 C17 C22 118.58(18) . . ?
C18 C17 N2 121.25(18) . . ?
C22 C17 N2 120.17(17) . . ?
C18 C17 K 72.36(11) . . ?
C22 C17 K 82.28(12) . . ?
N2 C17 K 114.45(12) . . ?
C19 C18 C17 119.5(2) . . ?
C19 C18 C23 118.23(19) . . ?
C17 C18 C23 122.25(18) . . ?
C19 C18 K 75.65(13) . . ?
C17 C18 K 82.29(12) . . ?
C23 C18 K 114.38(13) . . ?
C20 C19 C18 121.6(2) . . ?
C20 C19 K 81.03(14) . . ?
C18 C19 K 78.57(13) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
K C19 H19 111.3 . . ?
C19 C20 C21 119.0(2) . . ?
C19 C20 K 73.77(14) . . ?
C21 C20 K 82.73(14) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
K C20 H20 113.6 . . ?
C20 C21 C22 121.3(2) . . ?
C20 C21 K 72.84(13) . . ?
C22 C21 K 80.63(13) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
K C21 H21 117.9 . . ?
C21 C22 C17 119.88(19) . . ?
C21 C22 C26 118.54(19) . . ?
C17 C22 C26 121.52(18) . . ?
C21 C22 K 75.47(13) . . ?
C17 C22 K 73.28(11) . . ?
C26 C22 K 125.08(13) . . ?
C18 C23 C24 111.87(18) . . ?
C18 C23 C25 109.86(19) . . ?
C24 C23 C25 110.6(2) . . ?
C18 C23 H23 108.1 . . ?
C24 C23 H23 108.1 . . ?
C25 C23 H23 108.1 . . ?
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 112.46(18) . . ?
C22 C26 C28 110.67(18) . . ?
C27 C26 C28 110.61(18) . . ?
C22 C26 H26 107.6 . . ?
C27 C26 H26 107.6 . . ?
C28 C26 H26 107.6 . . ?
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 . . ?
O2 C29 C30 112.74(17) . . ?
O2 C29 S 112.24(14) . . ?
C30 C29 S 106.18(13) . . ?
O2 C29 H29 108.5 . . ?
C30 C29 H29 108.5 . . ?
S C29 H29 108.5 . . ?
C31 C30 C35 119.2(2) . . ?
C31 C30 C29 120.30(19) . . ?
C35 C30 C29 120.45(19) . . ?
C31 C30 K 91.79(14) . 3_575 ?
C35 C30 K 70.43(12) . 3_575 ?
C29 C30 K 108.48(12) . 3_575 ?
C30 C31 C32 120.4(2) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C33 C32 C31 120.4(2) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 119.5(2) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.4(2) . . ?
C33 C34 K 91.14(16) . 3_575 ?
C35 C34 K 72.45(13) . 3_575 ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
K C34 H34 106.5 3_575 . ?
C34 C35 C30 120.0(2) . . ?
C34 C35 K 83.39(14) . 3_575 ?
C30 C35 K 85.63(13) . 3_575 ?
C34 C35 H35 120 . . ?
C30 C35 H35 120 . . ?
K C35 H35 101 3_575 . ?
O3 C36 C37 113.26(17) . . ?
O3 C36 S 111.43(13) . . ?
C37 C36 S 107.57(14) . . ?
O3 C36 K 57.64(9) . . ?
C37 C36 K 85.73(12) . . ?
S C36 K 73.91(7) . . ?
O3 C36 H36 108.1 . . ?
C37 C36 H36 108.1 . . ?
S C36 H36 108.1 . . ?
K C36 H36 164 . . ?
C42 C37 C38 119.2(2) . . ?
C42 C37 C36 121.7(2) . . ?
C38 C37 C36 119.1(2) . . ?
C42 C37 K 67.10(13) . . ?
C38 C37 K 141.89(15) . . ?
C36 C37 K 68.93(11) . . ?
C39 C38 C37 120.5(3) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.0(2) . . ?
C39 C40 H40 120 . . ?
C41 C40 H40 120 . . ?
C40 C41 C42 120.1(3) . . ?
C40 C41 H41 120 . . ?
C42 C41 H41 120 . . ?
C37 C42 C41 120.0(2) . . ?
C37 C42 K 89.81(13) . . ?
C41 C42 K 129.00(17) . . ?
C37 C42 H42 120 . . ?
C41 C42 H42 120 . . ?
K C42 H42 51.2 . . ?
C7A C1A C2A 141.2(6) . . ?
C7A C1A C6A 98.8(6) . . ?
C2A C1A C6A 120 . . ?
C1A C2A C3A 120 . . ?
C1A C2A H2A 120 . . ?
C3A C2A H2A 120 . . ?
C2A C3A C4A 120 . . ?
C2A C3A H3A 120 . . ?
C4A C3A H3A 120 . . ?
C3A C4A C5A 120 . . ?
C3A C4A H4A 120 . . ?
C5A C4A H4A 120 . . ?
C6A C5A C4A 120 . . ?
C6A C5A H5A 120 . . ?
C4A C5A H5A 120 . . ?
C5A C6A C1A 120 . . ?
C5A C6A H6A 120 . . ?
C1A C6A H6A 120 . . ?
C1A C7A H7A1 109.5 . . ?
C1A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C1A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
C1A C7A H7A4 109.5 . . ?
H7A1 C7A H7A4 141.1 . . ?
H7A2 C7A H7A4 56.3 . . ?
H7A3 C7A H7A4 56.3 . . ?
C1A C7A H7A5 109.5 . . ?
H7A1 C7A H7A5 56.3 . . ?
H7A2 C7A H7A5 141.1 . . ?
H7A3 C7A H7A5 56.3 . . ?
H7A4 C7A H7A5 109.5 . . ?
C1A C7A H7A6 109.5 . . ?
H7A1 C7A H7A6 56.3 . . ?
H7A2 C7A H7A6 56.3 . . ?
H7A3 C7A H7A6 141.1 . . ?
H7A4 C7A H7A6 109.5 . . ?
H7A5 C7A H7A6 109.5 . . ?
C7B C1B C2B 139.8(8) . . ?
C7B C1B C6B 100.2(8) . . ?
C2B C1B C6B 120 . . ?
C1B C2B C3B 120 . . ?
C1B C2B H2B 120 . . ?
C3B C2B H2B 120 . . ?
C4B C3B C2B 120 . . ?
C4B C3B H3B 120 . . ?
C2B C3B H3B 120 . . ?
C3B C4B C5B 120 . . ?
C3B C4B H4B 120 . . ?
C5B C4B H4B 120 . . ?
C6B C5B C4B 120 . . ?
C6B C5B H5B 120 . . ?
C4B C5B H5B 120 . . ?
C5B C6B C1B 120 . . ?
C5B C6B H6B 120 . . ?
C1B C6B H6B 120 . . ?
C1B C7B H7B1 109.5 . . ?
C1B C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
C1B C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?
C1B C7B H7B4 109.5 . . ?
H7B1 C7B H7B4 141.1 . . ?
H7B2 C7B H7B4 56.3 . . ?
H7B3 C7B H7B4 56.3 . . ?
C1B C7B H7B5 109.5 . . ?
H7B1 C7B H7B5 56.3 . . ?
H7B2 C7B H7B5 141.1 . . ?
H7B3 C7B H7B5 56.3 . . ?
H7B4 C7B H7B5 109.5 . . ?
C1B C7B H7B6 109.5 . . ?
H7B1 C7B H7B6 56.3 . . ?
H7B2 C7B H7B6 56.3 . . ?
H7B3 C7B H7B6 141.1 . . ?
H7B4 C7B H7B6 109.5 . . ?
H7B5 C7B H7B6 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
K O3 2.8193(15) . ?
K C19 3.121(2) . ?
K C18 3.158(2) . ?
K C20 3.211(2) . ?
K C35 3.246(2) 3_575 ?
K C42 3.256(2) . ?
K C17 3.284(2) . ?
K C36 3.307(2) . ?
K S 3.3183(7) . ?
K C21 3.333(2) . ?
K C34 3.382(3) 3_575 ?
K C22 3.397(2) . ?
S C29 1.867(2) . ?
S C36 1.873(2) . ?
S K 3.5123(7) 3_575 ?
Si1 O1 1.6450(15) . ?
Si1 N1 1.7301(17) . ?
Si1 C14 1.868(2) . ?
Si1 C13 1.879(2) . ?
Si2 O1 1.6414(15) . ?
Si2 N2 1.7257(17) . ?
Si2 C15 1.859(2) . ?
Si2 C16 1.869(2) . ?
Al O2 1.7676(15) . ?
Al O3 1.7911(15) . ?
Al N2 1.8469(17) . ?
Al N1 1.8537(17) . ?
O2 C29 1.371(2) . ?
O3 C36 1.391(2) . ?
N1 C1 1.439(2) . ?
N2 C17 1.432(2) . ?
C1 C6 1.419(3) . ?
C1 C2 1.421(3) . ?
C2 C3 1.389(3) . ?
C2 C7 1.520(3) . ?
C3 C4 1.380(4) . ?
C3 H3 0.95 . ?
C4 C5 1.385(3) . ?
C4 H4 0.95 . ?
C5 C6 1.391(3) . ?
C5 H5 0.95 . ?
C6 C10 1.528(3) . ?
C7 C9 1.528(3) . ?
C7 C8 1.531(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 C12 1.521(3) . ?
C10 C11 1.529(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 C18 1.419(3) . ?
C17 C22 1.419(3) . ?
C18 C19 1.401(3) . ?
C18 C23 1.519(3) . ?
C19 C20 1.384(3) . ?
C19 H19 0.95 . ?
C20 C21 1.390(3) . ?
C20 H20 0.95 . ?
C21 C22 1.395(3) . ?
C21 H21 0.95 . ?
C22 C26 1.519(3) . ?
C23 C24 1.527(3) . ?
C23 C25 1.531(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 1.530(3) . ?
C26 C28 1.533(3) . ?
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 1.519(3) . ?
C29 H29 1 . ?
C30 C31 1.386(3) . ?
C30 C35 1.398(3) . ?
C30 K 3.435(2) 3_575 ?
C31 C32 1.390(3) . ?
C31 H31 0.95 . ?
C32 C33 1.385(4) . ?
C32 H32 0.95 . ?
C33 C34 1.384(4) . ?
C33 H33 0.95 . ?
C34 C35 1.393(3) . ?
C34 K 3.382(3) 3_575 ?
C34 H34 0.95 . ?
C35 K 3.246(2) 3_575 ?
C35 H35 0.95 . ?
C36 C37 1.517(3) . ?
C36 H36 1 . ?
C37 C42 1.386(3) . ?
C37 C38 1.393(3) . ?
C38 C39 1.387(4) . ?
C38 H38 0.95 . ?
C39 C40 1.379(5) . ?
C39 H39 0.95 . ?
C40 C41 1.382(4) . ?
C40 H40 0.95 . ?
C41 C42 1.400(3) . ?
C41 H41 0.95 . ?
C42 H42 0.95 . ?
C1A C7A 1.381(13) . ?
C1A C2A 1.39 . ?
C1A C6A 1.39 . ?
C2A C3A 1.39 . ?
C2A H2A 0.95 . ?
C3A C4A 1.39 . ?
C3A H3A 0.95 . ?
C4A C5A 1.39 . ?
C4A H4A 0.95 . ?
C5A C6A 1.39 . ?
C5A H5A 0.95 . ?
C6A H6A 0.95 . ?
C7A H7A1 0.98 . ?
C7A H7A2 0.98 . ?
C7A H7A3 0.98 . ?
C7A H7A4 0.98 . ?
C7A H7A5 0.98 . ?
C7A H7A6 0.98 . ?
C1B C7B 1.307(16) . ?
C1B C2B 1.39 . ?
C1B C6B 1.39 . ?
C2B C3B 1.39 . ?
C2B H2B 0.95 . ?
C3B C4B 1.39 . ?
C3B H3B 0.95 . ?
C4B C5B 1.39 . ?
C4B H4B 0.95 . ?
C5B C6B 1.39 . ?
C5B H5B 0.95 . ?
C6B H6B 0.95 . ?
C7B H7B1 0.98 . ?
C7B H7B2 0.98 . ?
C7B H7B3 0.98 . ?
C7B H7B4 0.98 . ?
C7B H7B5 0.98 . ?
C7B H7B6 0.98 . ?
