#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:08:14 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178936 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/65/4116558.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_4116558
loop_
_publ_author_name
'Li Xu'
'Slavi C. Sevov'
_publ_section_title
;
 Oxidative Coupling of Deltahedral [Ge9]4- Zintl Ions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9245
_journal_page_last               9246
_journal_paper_doi               10.1021/ja992269s
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C24 H60 Cs2 Ge9 K N8 O6'
_chemical_formula_weight         1515.03
_chemical_name_systematic
;
 Cs4(K-crypt)2[(Ge9)-(Ge9)](en)6
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.804(9)
_cell_angle_beta                 100.032(7)
_cell_angle_gamma                98.682(8)
_cell_formula_units_Z            2
_cell_length_a                   11.0058(8)
_cell_length_b                   12.6150(10)
_cell_length_c                   18.518(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      15
_cell_volume                     2431.3(4)
_computing_cell_refinement       'CAD4-ARGUS, (Enraf-Nonius, 1994)'
_computing_data_collection       'CAD4-ARGUS, (Enraf-Nonius, 1994)'
_computing_data_reduction        'xcad4 (Harms, 1996)'
_computing_molecular_graphics    'SHELXTL-V5.1 (Siemens, 1994)'
_computing_publication_material  'SHELXTL-V5.1 (Siemens, 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8978
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.082
_exptl_absorpt_correction_T_max  0.422
_exptl_absorpt_correction_T_min  0.309
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             1450
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.509
_refine_diff_density_min         -2.272
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8494
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0882P)²+11.9099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1722
_reflns_number_gt                6113
_reflns_number_total             8494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja992269s.cif
_cod_data_source_block           KcrGe18
_cod_database_code               4116558
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ge1 Ge 0.37277(12) 0.43272(11) 0.73605(7) 0.0701(3) Uani 1 1 d .
Ge2 Ge 0.29957(10) 0.41346(9) 0.59297(6) 0.0593(3) Uani 1 1 d .
Ge3 Ge 0.55489(10) 0.46351(9) 0.66824(6) 0.0550(3) Uani 1 1 d .
Ge4 Ge 0.50560(10) 0.63098(10) 0.77712(5) 0.0575(3) Uani 1 1 d .
Ge5 Ge 0.24843(9) 0.57901(10) 0.70102(6) 0.0593(3) Uani 1 1 d .
Ge6 Ge 0.46971(9) 0.54809(8) 0.55788(5) 0.0477(2) Uani 1 1 d .
Ge7 Ge 0.61318(9) 0.67916(9) 0.67312(6) 0.0554(3) Uani 1 1 d .
Ge8 Ge 0.40438(10) 0.74907(8) 0.69299(6) 0.0574(3) Uani 1 1 d .
Ge9 Ge 0.26534(10) 0.61049(10) 0.57043(6) 0.0629(3) Uani 1 1 d .
Cs1 Cs 0.11409(8) 0.44031(7) 0.38211(5) 0.0842(3) Uani 1 1 d .
Cs2 Cs 0.51666(11) 0.81551(9) 0.50673(6) 0.1082(3) Uani 1 1 d .
K K 0.13178(18) 0.76895(17) 1.05705(11) 0.0505(5) Uani 1 1 d .
O1 O -0.0721(9) 0.7527(7) 0.9383(5) 0.085(2) Uani 1 1 d .
O2 O 0.0880(7) 0.9476(6) 1.1599(4) 0.0636(18) Uani 1 1 d .
O3 O 0.2516(10) 0.5920(8) 1.0770(7) 0.118(4) Uani 1 1 d .
O4 O 0.0392(14) 0.6175(7) 1.1355(5) 0.111(4) Uani 1 1 d .
O5 O 0.3357(7) 0.9298(6) 1.1486(5) 0.080(2) Uani 1 1 d .
O6 O 0.1682(13) 0.8068(10) 0.9156(6) 0.131(5) Uani 1 1 d .
N1 N -0.1230(9) 0.7627(8) 1.0904(6) 0.077(3) Uani 1 1 d .
N2 N 0.3822(11) 0.7742(13) 1.0204(12) 0.156(8) Uani 1 1 d .
C1 C 0.097(3) 0.5249(17) 1.1337(13) 0.180(14) Uani 1 1 d .
H1A H 0.0751 0.4883 1.1723 0.216 Uiso 1 1 calc R
H1B H 0.0654 0.4731 1.0851 0.216 Uiso 1 1 calc R
C2 C 0.070(3) 0.7659(16) 0.8577(10) 0.140(8) Uani 1 1 d .
H2A H 0.0588 0.6860 0.8442 0.169 Uiso 1 1 calc R
H2B H 0.0866 0.7931 0.8143 0.169 Uiso 1 1 calc R
C3 C -0.046(2) 0.7987(14) 0.8781(9) 0.133(8) Uani 1 1 d .
H3A H -0.0348 0.8785 0.8930 0.159 Uiso 1 1 calc R
H3B H -0.1163 0.7720 0.8349 0.159 Uiso 1 1 calc R
C4 C -0.093(3) 0.5898(13) 1.1241(11) 0.168(12) Uani 1 1 d .
H4A H -0.1157 0.5446 1.1580 0.202 Uiso 1 1 calc R
H4B H -0.1278 0.5471 1.0727 0.202 Uiso 1 1 calc R
C5 C -0.1484(17) 0.6896(13) 1.1375(10) 0.126(7) Uani 1 1 d .
H5A H -0.2388 0.6672 1.1301 0.151 Uiso 1 1 calc R
H5B H -0.1167 0.7295 1.1897 0.151 Uiso 1 1 calc R
C6 C -0.1316(12) 0.8770(11) 1.1249(8) 0.093(4) Uani 1 1 d .
H6A H -0.2087 0.8758 1.1436 0.111 Uiso 1 1 calc R
H6B H -0.1362 0.9189 1.0864 0.111 Uiso 1 1 calc R
C7 C -0.2126(11) 0.7194(15) 1.0184(11) 0.126(7) Uani 1 1 d .
H7A H -0.2958 0.7285 1.0260 0.151 Uiso 1 1 calc R
H7B H -0.2146 0.6410 1.0021 0.151 Uiso 1 1 calc R
C8 C 0.3025(11) 1.0289(9) 1.1837(7) 0.076(3) Uani 1 1 d .
H8A H 0.2823 1.0715 1.1468 0.092 Uiso 1 1 calc R
H8B H 0.3728 1.0728 1.2228 0.092 Uiso 1 1 calc R
C9 C -0.0231(13) 0.9339(10) 1.1882(7) 0.084(4) Uani 1 1 d .
H9A H -0.0377 1.0054 1.2121 0.101 Uiso 1 1 calc R
H9B H -0.0143 0.8905 1.2257 0.101 Uiso 1 1 calc R
C10 C 0.386(3) 0.606(3) 1.072(2) 0.27(3) Uani 1 1 d .
H10A H 0.4385 0.6521 1.1183 0.326 Uiso 1 1 calc R
H10B H 0.4109 0.5345 1.0629 0.326 Uiso 1 1 calc R
C11 C -0.1830(15) 0.7749(15) 0.9556(10) 0.118(6) Uani 1 1 d .
H11A H -0.2503 0.7475 0.9111 0.141 Uiso 1 1 calc R
H11B H -0.1764 0.8540 0.9720 0.141 Uiso 1 1 calc R
C12 C 0.4760(13) 0.8462(15) 1.0824(15) 0.184(12) Uani 1 1 d .
H12A H 0.5530 0.8631 1.0648 0.221 Uiso 1 1 calc R
H12B H 0.4935 0.8068 1.1216 0.221 Uiso 1 1 calc R
C13 C 0.390(2) 0.813(2) 0.9579(16) 0.227(19) Uani 1 1 d .
H13A H 0.4634 0.7934 0.9399 0.273 Uiso 1 1 calc R
H13B H 0.4042 0.8934 0.9723 0.273 Uiso 1 1 calc R
C14 C 0.4411(13) 0.9513(12) 1.1159(11) 0.118(6) Uani 1 1 d .
H14A H 0.5114 0.9969 1.1542 0.142 Uiso 1 1 calc R
H14B H 0.4213 0.9912 1.0772 0.142 Uiso 1 1 calc R
C15 C 0.222(4) 0.554(2) 1.1455(17) 0.23(2) Uani 1 1 d .
H15A H 0.2608 0.4918 1.1520 0.281 Uiso 1 1 calc R
H15B H 0.2531 0.6133 1.1905 0.281 Uiso 1 1 calc R
C16 C 0.1956(12) 1.0029(9) 1.2164(6) 0.075(3) Uani 1 1 d .
H16A H 0.2147 0.9566 1.2510 0.090 Uiso 1 1 calc R
H16B H 0.1783 1.0705 1.2448 0.090 Uiso 1 1 calc R
C17 C 0.277(3) 0.772(3) 0.8937(14) 0.228(16) Uani 1 1 d .
H17A H 0.2928 0.8007 0.8507 0.273 Uiso 1 1 calc R
H17B H 0.2617 0.6923 0.8787 0.273 Uiso 1 1 calc R
C18 C 0.399(2) 0.657(3) 1.009(2) 0.26(3) Uani 1 1 d .
H18A H 0.3383 0.6129 0.9649 0.307 Uiso 1 1 calc R
H18B H 0.4822 0.6532 0.9992 0.307 Uiso 1 1 calc R
N3 N 0.8185(15) 0.8522(13) 0.5652(10) 0.137(5) Uani 1 1 d .
H3C H 0.8200 0.8642 0.6150 0.164 Uiso 1 1 calc R
H3D H 0.8261 0.7812 0.5522 0.164 Uiso 1 1 calc R
N4 N -0.0578(13) 0.1894(11) 0.3483(8) 0.118(4) Uani 1 1 d .
H4C H -0.1402 0.1887 0.3329 0.141 Uiso 1 1 calc R
H4D H -0.0327 0.1407 0.3140 0.141 Uiso 1 1 calc R
C19 C -0.0314(14) 0.1693(14) 0.4193(9) 0.102(4) Uani 1 1 d .
H19A H -0.1073 0.1294 0.4286 0.122 Uiso 1 1 calc R
H19B H -0.0072 0.2394 0.4564 0.122 Uiso 1 1 calc R
C20 C 0.9297(18) 0.8950(14) 0.5697(13) 0.131(7) Uani 1 1 d .
H20A H 0.9508 0.9602 0.6111 0.157 Uiso 1 1 calc R
H20B H 0.9333 0.9204 0.5240 0.157 Uiso 1 1 calc R
N5 N 0.424(3) 1.0176(18) 0.6169(17) 0.29(2) Uani 1 1 d .
H5C H 0.4377 0.9541 0.6286 0.432 Uiso 1 1 calc R
H5D H 0.4423 1.0288 0.5733 0.432 Uiso 1 1 calc R
N6 N 0.768(3) 0.881(2) 0.3264(16) 0.259(15) Uani 1 1 d .
H6C H 0.8316 0.9367 0.3510 0.388 Uiso 1 1 calc R
H6D H 0.7852 0.8126 0.3160 0.388 Uiso 1 1 calc R
C21 C 0.656(4) 0.904(3) 0.2824(18) 0.218(16) Uani 1 1 d .
H21A H 0.6731 0.9758 0.2715 0.261 Uiso 1 1 calc R
H21B H 0.6253 0.8480 0.2354 0.261 Uiso 1 1 calc R
C22 C 0.428(4) 1.100(2) 0.6695(18) 0.236(19) Uani 1 1 d .
H22A H 0.4178 1.1617 0.6467 0.283 Uiso 1 1 calc R
H22B H 0.5118 1.1176 0.7008 0.283 Uiso 1 1 calc R
N7 N 0.265(4) 0.877(3) 0.416(2) 0.33(2) Uani 1 1 d .
H7C H 0.2182 0.9059 0.4471 0.400 Uiso 1 1 calc R
H7D H 0.2839 0.9241 0.3868 0.400 Uiso 1 1 calc R
N8 N 0.0353(15) 0.6550(16) 0.3370(15) 0.194(10) Uani 1 1 d .
H8C H 0.0385 0.6459 0.2879 0.232 Uiso 1 1 calc R
H8D H -0.0467 0.6486 0.3385 0.232 Uiso 1 1 calc R
C23 C 0.212(4) 0.786(2) 0.377(3) 0.28(3) Uani 1 1 d .
H23A H 0.2483 0.7319 0.3999 0.331 Uiso 1 1 calc R
H23B H 0.2326 0.7790 0.3279 0.331 Uiso 1 1 calc R
C24 C 0.084(3) 0.758(2) 0.3670(15) 0.173(10) Uani 1 1 d .
H24A H 0.0609 0.7778 0.4156 0.208 Uiso 1 1 calc R
H24B H 0.0458 0.8018 0.3353 0.208 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Ge3 Ge1 Ge5 100.78(5) . .
Ge3 Ge1 Ge2 66.55(4) . .
Ge5 Ge1 Ge2 65.18(5) . .
Ge3 Ge1 Ge4 65.64(4) . .
Ge5 Ge1 Ge4 66.85(5) . .
Ge2 Ge1 Ge4 100.94(5) . .
Ge1 Ge2 Ge6 105.04(5) . .
Ge1 Ge2 Ge9 108.49(5) . .
Ge6 Ge2 Ge9 57.26(4) . .
Ge1 Ge2 Ge5 57.34(4) . .
Ge6 Ge2 Ge5 93.08(4) . .
Ge9 Ge2 Ge5 56.04(4) . .
Ge1 Ge2 Ge3 56.48(4) . .
Ge6 Ge2 Ge3 56.98(4) . .
Ge9 Ge2 Ge3 101.06(5) . .
Ge5 Ge2 Ge3 90.02(4) . .
Ge1 Ge2 Cs2 104.84(5) . 2_666
Ge6 Ge2 Cs2 82.05(4) . 2_666
Ge9 Ge2 Cs2 132.43(5) . 2_666
Ge5 Ge2 Cs2 159.79(5) . 2_666
Ge3 Ge2 Cs2 70.83(4) . 2_666
Ge1 Ge2 Cs1 163.88(5) . .
Ge6 Ge2 Cs1 78.51(4) . .
Ge9 Ge2 Cs1 59.74(4) . .
Ge5 Ge2 Cs1 107.14(4) . .
Ge3 Ge2 Cs1 133.27(4) . .
Cs2 Ge2 Cs1 91.18(3) 2_666 .
Ge1 Ge3 Ge6 105.51(5) . .
Ge1 Ge3 Ge7 108.39(5) . .
Ge6 Ge3 Ge7 57.22(4) . .
Ge1 Ge3 Ge4 57.56(4) . .
Ge6 Ge3 Ge4 93.10(4) . .
Ge7 Ge3 Ge4 55.66(4) . .
Ge1 Ge3 Ge2 56.97(4) . .
Ge6 Ge3 Ge2 57.03(4) . .
Ge7 Ge3 Ge2 101.00(5) . .
Ge4 Ge3 Ge2 90.42(4) . .
Ge1 Ge3 Cs1 164.55(5) . 2_666
Ge6 Ge3 Cs1 83.20(4) . 2_666
Ge7 Ge3 Cs1 65.20(3) . 2_666
Ge4 Ge3 Cs1 110.04(4) . 2_666
Ge2 Ge3 Cs1 136.59(4) . 2_666
Ge1 Ge3 Cs2 103.88(5) . 2_666
Ge6 Ge3 Cs2 81.10(4) . 2_666
Ge7 Ge3 Cs2 132.37(4) . 2_666
Ge4 Ge3 Cs2 158.51(4) . 2_666
Ge2 Ge3 Cs2 69.02(4) . 2_666
Cs1 Ge3 Cs2 89.92(3) 2_666 2_666
Ge7 Ge4 Ge1 111.53(5) . .
Ge7 Ge4 Ge8 61.64(4) . .
Ge1 Ge4 Ge8 108.34(5) . .
Ge7 Ge4 Ge3 59.87(4) . .
Ge1 Ge4 Ge3 56.80(4) . .
Ge8 Ge4 Ge3 101.05(4) . .
Ge7 Ge4 Ge5 101.10(5) . .
Ge1 Ge4 Ge5 56.38(4) . .
Ge8 Ge4 Ge5 56.49(4) . .
Ge3 Ge4 Ge5 89.27(4) . .
Ge9 Ge5 Ge1 112.12(5) . .
Ge9 Ge5 Ge8 61.41(5) . .
Ge1 Ge5 Ge8 109.03(5) . .
Ge9 Ge5 Ge2 59.90(4) . .
Ge1 Ge5 Ge2 57.48(4) . .
Ge8 Ge5 Ge2 101.49(5) . .
Ge9 Ge5 Ge4 101.49(5) . .
Ge1 Ge5 Ge4 56.77(4) . .
Ge8 Ge5 Ge4 56.85(4) . .
Ge2 Ge5 Ge4 90.29(4) . .
Ge9 Ge5 Cs1 81.50(4) . 2_566
Ge1 Ge5 Cs1 131.66(5) . 2_566
Ge8 Ge5 Cs1 117.65(5) . 2_566
Ge2 Ge5 Cs1 99.87(4) . 2_566
Ge4 Ge5 Cs1 169.46(5) . 2_566
Ge6 Ge6 Ge9 128.47(6) 2_666 .
Ge6 Ge6 Ge7 127.32(7) 2_666 .
Ge9 Ge6 Ge7 99.30(5) . .
Ge6 Ge6 Ge3 108.34(6) 2_666 .
Ge9 Ge6 Ge3 112.10(5) . .
Ge7 Ge6 Ge3 63.10(4) . .
Ge6 Ge6 Ge2 109.09(6) 2_666 .
Ge9 Ge6 Ge2 62.95(5) . .
Ge7 Ge6 Ge2 112.13(5) . .
Ge3 Ge6 Ge2 65.99(4) . .
Ge6 Ge6 Cs2 92.61(5) 2_666 .
Ge9 Ge6 Cs2 77.82(4) . .
Ge7 Ge6 Cs2 75.29(4) . .
Ge3 Ge6 Cs2 138.12(5) . .
Ge2 Ge6 Cs2 140.67(5) . .
Ge6 Ge7 Ge4 100.72(5) . .
Ge6 Ge7 Ge8 83.30(4) . .
Ge4 Ge7 Ge8 59.89(4) . .
Ge6 Ge7 Ge3 59.68(4) . .
Ge4 Ge7 Ge3 64.47(4) . .
Ge8 Ge7 Ge3 103.00(5) . .
Ge6 Ge7 Cs1 89.06(4) . 2_666
Ge4 Ge7 Cs1 123.85(5) . 2_666
Ge8 Ge7 Cs1 172.13(5) . 2_666
Ge3 Ge7 Cs1 74.51(4) . 2_666
Ge6 Ge7 Cs2 65.87(4) . .
Ge4 Ge7 Cs2 133.50(5) . .
Ge8 Ge7 Cs2 74.05(4) . .
Ge3 Ge7 Cs2 125.35(4) . .
Cs1 Ge7 Cs2 101.10(3) 2_666 .
Ge5 Ge8 Ge4 66.66(5) . .
Ge5 Ge8 Ge9 58.89(4) . .
Ge4 Ge8 Ge9 106.75(5) . .
Ge5 Ge8 Ge7 106.13(5) . .
Ge4 Ge8 Ge7 58.47(4) . .
Ge9 Ge8 Ge7 93.86(5) . .
Ge5 Ge8 Cs2 127.71(5) . .
Ge4 Ge8 Cs2 125.34(4) . .
Ge9 Ge8 Cs2 69.62(4) . .
Ge7 Ge8 Cs2 67.25(4) . .
Ge6 Ge9 Ge5 100.15(5) . .
Ge6 Ge9 Ge8 83.53(4) . .
Ge5 Ge9 Ge8 59.70(4) . .
Ge6 Ge9 Ge2 59.79(4) . .
Ge5 Ge9 Ge2 64.05(5) . .
Ge8 Ge9 Ge2 103.18(5) . .
Ge6 Ge9 Cs1 90.48(4) . .
Ge5 Ge9 Cs1 130.31(5) . .
Ge8 Ge9 Cs1 169.39(5) . .
Ge2 Ge9 Cs1 81.11(4) . .
Ge6 Ge9 Cs2 64.02(4) . .
Ge5 Ge9 Cs2 131.14(5) . .
Ge8 Ge9 Cs2 72.30(4) . .
Ge2 Ge9 Cs2 123.75(5) . .
Cs1 Ge9 Cs2 97.20(4) . .
N8 Cs1 N4 128.8(4) . .
N8 Cs1 Ge9 88.7(4) . .
N4 Cs1 Ge9 124.5(3) . .
N8 Cs1 Ge7 123.8(4) . 2_666
N4 Cs1 Ge7 90.6(2) . 2_666
Ge9 Cs1 Ge7 100.06(3) . 2_666
N8 Cs1 C19 140.4(4) . .
N4 Cs1 C19 21.0(3) . .
Ge9 Cs1 C19 103.8(2) . .
Ge7 Cs1 C19 91.3(2) 2_666 .
N8 Cs1 Ge5 63.3(3) . 2_566
N4 Cs1 Ge5 66.0(2) . 2_566
Ge9 Cs1 Ge5 120.91(3) . 2_566
Ge7 Cs1 Ge5 139.00(3) 2_666 2_566
C19 Cs1 Ge5 78.3(2) . 2_566
N8 Cs1 Ge3 86.9(3) . 2_666
N4 Cs1 Ge3 129.6(2) . 2_666
Ge9 Cs1 Ge3 83.97(3) . 2_666
Ge7 Cs1 Ge3 40.29(2) 2_666 2_666
C19 Cs1 Ge3 131.1(2) . 2_666
Ge5 Cs1 Ge3 138.51(3) 2_566 2_666
N8 Cs1 Ge2 127.7(5) . .
N4 Cs1 Ge2 91.5(3) . .
Ge9 Cs1 Ge2 39.15(3) . .
Ge7 Cs1 Ge2 80.05(3) 2_666 .
C19 Cs1 Ge2 71.0(2) . .
Ge5 Cs1 Ge2 130.80(3) 2_566 .
Ge3 Cs1 Ge2 89.94(3) 2_666 .
N8 Cs1 Cs1 83.5(5) . 2_566
N4 Cs1 Cs1 87.9(2) . 2_566
Ge9 Cs1 Cs1 53.20(2) . 2_566
Ge7 Cs1 Cs1 143.82(3) 2_666 2_566
C19 Cs1 Cs1 75.2(2) . 2_566
Ge5 Cs1 Cs1 71.75(2) 2_566 2_566
Ge3 Cs1 Cs1 136.14(3) 2_666 2_566
Ge2 Cs1 Cs1 63.87(2) . 2_566
N8 Cs1 Cs2 69.6(3) . .
N4 Cs1 Cs2 161.1(2) . .
Ge9 Cs1 Cs2 43.62(3) . .
Ge7 Cs1 Cs2 79.45(2) 2_666 .
C19 Cs1 Cs2 142.0(2) . .
Ge5 Cs1 Cs2 131.04(3) 2_566 .
Ge3 Cs1 Cs2 46.07(2) 2_666 .
Ge2 Cs1 Cs2 71.15(2) . .
Cs1 Cs1 Cs2 90.79(2) 2_566 .
N3 Cs2 N7 152.3(9) . .
N3 Cs2 N5 87.3(7) . 2_676
N7 Cs2 N5 65.9(9) . 2_676
N3 Cs2 Ge6 91.5(3) . .
N7 Cs2 Ge6 115.4(8) . .
N5 Cs2 Ge6 152.9(4) 2_676 .
N3 Cs2 C23 159.1(8) . .
N7 Cs2 C23 18.9(8) . .
N5 Cs2 C23 74.7(9) 2_676 .
Ge6 Cs2 C23 99.6(5) . .
N3 Cs2 C22 88.8(7) . 2_676
N7 Cs2 C22 68.5(9) . 2_676
N5 Cs2 C22 19.6(5) 2_676 2_676
Ge6 Cs2 C22 133.3(4) . 2_676
C23 Cs2 C22 70.7(9) . 2_676
N3 Cs2 Ge7 66.8(3) . .
N7 Cs2 Ge7 139.0(7) . .
N5 Cs2 Ge7 153.9(6) 2_676 .
Ge6 Cs2 Ge7 38.85(2) . .
C23 Cs2 Ge7 131.4(6) . .
C22 Cs2 Ge7 151.1(5) 2_676 .
N3 Cs2 Ge9 124.4(3) . .
N7 Cs2 Ge9 83.0(8) . .
N5 Cs2 Ge9 147.7(6) 2_676 .
Ge6 Cs2 Ge9 38.16(2) . .
C23 Cs2 Ge9 73.0(6) . .
C22 Cs2 Ge9 138.9(6) 2_676 .
Ge7 Cs2 Ge9 58.39(3) . .
N3 Cs2 Ge8 99.4(3) . .
N7 Cs2 Ge8 102.1(7) . .
N5 Cs2 Ge8 154.2(4) 2_676 .
Ge6 Cs2 Ge8 52.42(2) . .
C23 Cs2 Ge8 101.4(7) . .
C22 Cs2 Ge8 170.2(5) 2_676 .
Ge7 Cs2 Ge8 38.70(2) . .
Ge9 Cs2 Ge8 38.08(2) . .
N3 Cs2 Ge2 62.2(3) . 2_666
N7 Cs2 Ge2 122.5(7) . 2_666
N5 Cs2 Ge2 91.7(4) 2_676 2_666
Ge6 Cs2 Ge2 64.19(3) . 2_666
C23 Cs2 Ge2 107.1(7) . 2_666
C22 Cs2 Ge2 75.1(4) 2_676 2_666
Ge7 Cs2 Ge2 79.71(3) . 2_666
Ge9 Cs2 Ge2 98.10(3) . 2_666
Ge8 Cs2 Ge2 113.50(3) . 2_666
N3 Cs2 Ge3 102.2(3) . 2_666
N7 Cs2 Ge3 85.6(7) . 2_666
N5 Cs2 Ge3 90.4(5) 2_676 2_666
Ge6 Cs2 Ge3 63.33(3) . 2_666
C23 Cs2 Ge3 68.1(6) . 2_666
C22 Cs2 Ge3 71.0(5) 2_676 2_666
Ge7 Cs2 Ge3 98.22(3) . 2_666
Ge9 Cs2 Ge3 78.06(3) . 2_666
Ge8 Cs2 Ge3 112.05(3) . 2_666
Ge2 Cs2 Ge3 40.15(2) 2_666 2_666
N3 Cs2 Cs2 99.0(3) . 2_676
N7 Cs2 Cs2 57.2(8) . 2_676
N5 Cs2 Cs2 44.2(4) 2_676 2_676
Ge6 Cs2 Cs2 161.15(5) . 2_676
C23 Cs2 Cs2 75.5(4) . 2_676
C22 Cs2 Cs2 62.9(4) 2_676 2_676
Ge7 Cs2 Cs2 133.42(5) . 2_676
Ge9 Cs2 Cs2 124.53(4) . 2_676
Ge8 Cs2 Cs2 110.04(4) . 2_676
Ge2 Cs2 Cs2 134.64(4) 2_666 2_676
Ge3 Cs2 Cs2 128.36(4) 2_666 2_676
O2 K O4 92.2(2) . .
O2 K O1 98.6(2) . .
O4 K O1 103.4(4) . .
O2 K O3 132.1(3) . .
O4 K O3 59.3(4) . .
O1 K O3 123.6(3) . .
O2 K O5 60.1(2) . .
O4 K O5 111.9(3) . .
O1 K O5 138.5(3) . .
O3 K O5 93.6(3) . .
O2 K O6 116.4(3) . .
O4 K O6 146.9(3) . .
O1 K O6 58.4(4) . .
O3 K O6 105.4(4) . .
O5 K O6 97.4(3) . .
O2 K N2 119.8(3) . .
O4 K N2 120.7(5) . .
O1 K N2 117.4(5) . .
O3 K N2 62.6(5) . .
O5 K N2 61.0(3) . .
O6 K N2 60.5(6) . .
O2 K N1 61.0(2) . .
O4 K N1 59.9(4) . .
O1 K N1 61.3(3) . .
O3 K N1 117.8(4) . .
O5 K N1 119.9(3) . .
O6 K N1 118.3(4) . .
N2 K N1 178.7(5) . .
C11 O1 C3 110.4(14) . .
C11 O1 K 118.5(8) . .
C3 O1 K 116.9(10) . .
C9 O2 C16 113.2(9) . .
C9 O2 K 118.4(6) . .
C16 O2 K 113.5(6) . .
C10 O3 C15 115(2) . .
C10 O3 K 116.4(16) . .
C15 O3 K 109.6(11) . .
C1 O4 C4 112.8(18) . .
C1 O4 K 115.7(13) . .
C4 O4 K 115.7(10) . .
C14 O5 C8 111.4(10) . .
C14 O5 K 115.8(8) . .
C8 O5 K 114.6(6) . .
C2 O6 C17 108.3(16) . .
C2 O6 K 115.8(10) . .
C17 O6 K 114.1(15) . .
C5 N1 C7 107.1(13) . .
C5 N1 C6 112.0(11) . .
C7 N1 C6 111.4(12) . .
C5 N1 K 112.1(9) . .
C7 N1 K 106.7(7) . .
C6 N1 K 107.4(6) . .
C13 N2 C12 107.4(19) . .
C13 N2 C18 112(2) . .
C12 N2 C18 112(2) . .
C13 N2 K 112.1(16) . .
C12 N2 K 109.5(10) . .
C18 N2 K 104.2(13) . .
C15 C1 O4 111(2) . .
C15 C1 H1A 109.4 . .
O4 C1 H1A 109.4 . .
C15 C1 H1B 109.4 . .
O4 C1 H1B 109.4 . .
H1A C1 H1B 108.0 . .
O6 C2 C3 110.4(15) . .
O6 C2 H2A 109.6 . .
C3 C2 H2A 109.6 . .
O6 C2 H2B 109.6 . .
C3 C2 H2B 109.6 . .
H2A C2 H2B 108.1 . .
O1 C3 C2 108.5(13) . .
O1 C3 H3A 110.0 . .
C2 C3 H3A 110.0 . .
O1 C3 H3B 110.0 . .
C2 C3 H3B 110.0 . .
H3A C3 H3B 108.4 . .
O4 C4 C5 111.1(14) . .
O4 C4 H4A 109.4 . .
C5 C4 H4A 109.4 . .
O4 C4 H4B 109.4 . .
C5 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
N1 C5 C4 114.8(12) . .
N1 C5 H5A 108.6 . .
C4 C5 H5A 108.6 . .
N1 C5 H5B 108.6 . .
C4 C5 H5B 108.6 . .
H5A C5 H5B 107.5 . .
N1 C6 C9 113.2(12) . .
N1 C6 H6A 108.9 . .
C9 C6 H6A 108.9 . .
N1 C6 H6B 108.9 . .
C9 C6 H6B 108.9 . .
H6A C6 H6B 107.8 . .
N1 C7 C11 114.2(12) . .
N1 C7 H7A 108.7 . .
C11 C7 H7A 108.7 . .
N1 C7 H7B 108.7 . .
C11 C7 H7B 108.7 . .
H7A C7 H7B 107.6 . .
O5 C8 C16 109.5(9) . .
O5 C8 H8A 109.8 . .
C16 C8 H8A 109.8 . .
O5 C8 H8B 109.8 . .
C16 C8 H8B 109.8 . .
H8A C8 H8B 108.2 . .
O2 C9 C6 109.5(10) . .
O2 C9 H9A 109.8 . .
C6 C9 H9A 109.8 . .
O2 C9 H9B 109.8 . .
C6 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
C18 C10 O3 108(2) . .
C18 C10 H10A 110.2 . .
O3 C10 H10A 110.2 . .
C18 C10 H10B 110.2 . .
O3 C10 H10B 110.2 . .
H10A C10 H10B 108.5 . .
O1 C11 C7 109.7(12) . .
O1 C11 H11A 109.7 . .
C7 C11 H11A 109.7 . .
O1 C11 H11B 109.7 . .
C7 C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
N2 C12 C14 115.1(15) . .
N2 C12 H12A 108.5 . .
C14 C12 H12A 108.5 . .
N2 C12 H12B 108.5 . .
C14 C12 H12B 108.5 . .
H12A C12 H12B 107.5 . .
N2 C13 C17 115.1(19) . .
N2 C13 H13A 108.5 . .
C17 C13 H13A 108.5 . .
N2 C13 H13B 108.5 . .
C17 C13 H13B 108.5 . .
H13A C13 H13B 107.5 . .
O5 C14 C12 109.9(13) . .
O5 C14 H14A 109.7 . .
C12 C14 H14A 109.7 . .
O5 C14 H14B 109.7 . .
C12 C14 H14B 109.7 . .
H14A C14 H14B 108.2 . .
C1 C15 O3 107.3(19) . .
C1 C15 H15A 110.2 . .
O3 C15 H15A 110.2 . .
C1 C15 H15B 110.2 . .
O3 C15 H15B 110.2 . .
H15A C15 H15B 108.5 . .
O2 C16 C8 111.2(9) . .
O2 C16 H16A 109.4 . .
C8 C16 H16A 109.4 . .
O2 C16 H16B 109.4 . .
C8 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
O6 C17 C13 110.8(17) . .
O6 C17 H17A 109.5 . .
C13 C17 H17A 109.5 . .
O6 C17 H17B 109.5 . .
C13 C17 H17B 109.5 . .
H17A C17 H17B 108.1 . .
C10 C18 N2 116(3) . .
C10 C18 H18A 108.3 . .
N2 C18 H18A 108.3 . .
C10 C18 H18B 108.3 . .
N2 C18 H18B 108.3 . .
H18A C18 H18B 107.4 . .
C20 N3 Cs2 154.9(15) . .
C20 N3 H3C 97.7 . .
Cs2 N3 H3C 97.7 . .
C20 N3 H3D 97.7 . .
Cs2 N3 H3D 97.7 . .
H3C N3 H3D 103.7 . .
C19 N4 Cs1 99.8(10) . .
C19 N4 H4C 111.8 . .
Cs1 N4 H4C 111.8 . .
C19 N4 H4D 111.8 . .
Cs1 N4 H4D 111.8 . .
H4C N4 H4D 109.5 . .
N4 C19 C20 114.1(15) . 2_666
N4 C19 Cs1 59.2(9) . .
C20 C19 Cs1 107.3(10) 2_666 .
N4 C19 H19A 108.7 . .
C20 C19 H19A 108.7 2_666 .
Cs1 C19 H19A 143.6 . .
N4 C19 H19B 108.7 . .
C20 C19 H19B 108.7 2_666 .
Cs1 C19 H19B 55.1 . .
H19A C19 H19B 107.6 . .
N3 C20 C19 120.5(16) . 2_666
N3 C20 H20A 107.2 . .
C19 C20 H20A 107.2 2_666 .
N3 C20 H20B 107.2 . .
C19 C20 H20B 107.2 2_666 .
H20A C20 H20B 106.8 . .
C22 N5 N6 47(2) . 2_676
C22 N5 Cs2 92.0(16) . 2_676
N6 N5 Cs2 97.8(8) 2_676 2_676
C22 N5 H5C 118.9 . .
N6 N5 H5C 118.9 2_676 .
Cs2 N5 H5C 142.2 2_676 .
C22 N5 H5D 118.9 . .
N6 N5 H5D 118.9 2_676 .
Cs2 N5 H5D 27.3 2_676 .
H5C N5 H5D 116.3 . .
C21 N6 C22 38.1(18) . 2_676
C21 N6 H6C 119.5 . .
C22 N6 H6C 119.5 2_676 .
C21 N6 H6D 119.5 . .
C22 N6 H6D 119.5 2_676 .
H6C N6 H6D 117.2 . .
C22 C21 N6 102(3) 2_676 .
C22 C21 H21A 111.3 2_676 .
N6 C21 H21A 111.3 . .
C22 C21 H21B 111.3 2_676 .
N6 C21 H21B 111.3 . .
H21A C21 H21B 109.2 . .
N5 C22 C21 121(3) . 2_676
N5 C22 N6 108(3) . 2_676
C21 C22 N6 39.8(16) 2_676 2_676
N5 C22 Cs2 68.4(14) . 2_676
C21 C22 Cs2 144(2) 2_676 2_676
N6 C22 Cs2 104.4(14) 2_676 2_676
N5 C22 H22A 107.2 . .
C21 C22 H22A 107.2 2_676 .
N6 C22 H22A 76.5 2_676 .
Cs2 C22 H22A 42.5 2_676 .
N5 C22 H22B 107.2 . .
C21 C22 H22B 107.2 2_676 .
N6 C22 H22B 141.6 2_676 .
Cs2 C22 H22B 102.2 2_676 .
H22A C22 H22B 106.8 . .
C23 N7 Cs2 100(3) . .
C23 N7 H7C 111.8 . .
Cs2 N7 H7C 111.8 . .
C23 N7 H7D 111.8 . .
Cs2 N7 H7D 111.8 . .
H7C N7 H7D 109.5 . .
C24 N8 Cs1 129.5(17) . .
C24 N8 H8C 104.9 . .
Cs1 N8 H8C 104.9 . .
C24 N8 H8D 104.9 . .
Cs1 N8 H8D 104.9 . .
H8C N8 H8D 105.8 . .
N7 C23 C24 118(5) . .
N7 C23 Cs2 61(2) . .
C24 C23 Cs2 146(3) . .
N7 C23 H23A 107.7 . .
C24 C23 H23A 107.7 . .
Cs2 C23 H23A 50.0 . .
N7 C23 H23B 107.7 . .
C24 C23 H23B 107.7 . .
Cs2 C23 H23B 104.4 . .
H23A C23 H23B 107.1 . .
N8 C24 C23 116(3) . .
N8 C24 H24A 108.4 . .
C23 C24 H24A 108.4 . .
N8 C24 H24B 108.4 . .
C23 C24 H24B 108.4 . .
H24A C24 H24B 107.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 Ge3 2.5666(16) .
Ge1 Ge5 2.5773(18) .
Ge1 Ge2 2.5812(16) .
Ge1 Ge4 2.5888(17) .
Ge2 Ge6 2.5939(14) .
Ge2 Ge9 2.6733(17) .
Ge2 Ge5 2.7784(15) .
Ge2 Ge3 2.8244(16) .
Ge2 Cs2 4.0895(16) 2_666
Ge2 Cs1 4.1835(15) .
Ge3 Ge6 2.5923(14) .
Ge3 Ge7 2.6782(16) .
Ge3 Ge4 2.7942(15) .
Ge3 Cs1 3.9906(14) 2_666
Ge3 Cs2 4.1370(17) 2_666
Ge4 Ge7 2.5567(15) .
Ge4 Ge8 2.5950(16) .
Ge4 Ge5 2.8459(15) .
Ge5 Ge9 2.5628(16) .
Ge5 Ge8 2.5843(16) .
Ge5 Cs1 3.9700(14) 2_566
Ge6 Ge6 2.4879(17) 2_666
Ge6 Ge9 2.5248(15) .
Ge6 Ge7 2.5249(14) .
Ge6 Cs2 3.6737(15) .
Ge7 Ge8 2.6396(15) .
Ge7 Cs1 3.7592(14) 2_666
Ge7 Cs2 3.8936(16) .
Ge8 Ge9 2.6283(15) .
Ge8 Cs2 4.0596(16) .
Ge9 Cs1 3.6574(15) .
Ge9 Cs2 3.9946(17) .
Cs1 N8 3.189(17) .
Cs1 N4 3.311(15) .
Cs1 Ge7 3.7593(14) 2_666
Cs1 C19 3.797(17) .
Cs1 Ge5 3.9699(14) 2_566
Cs1 Ge3 3.9907(14) 2_666
Cs1 Cs1 5.4690(18) 2_566
Cs1 Cs2 5.7443(16) .
Cs2 N3 3.240(16) .
Cs2 N7 3.27(3) .
Cs2 N5 3.490(19) 2_676
Cs2 C23 3.68(4) .
Cs2 C22 3.75(2) 2_676
Cs2 Ge2 4.0896(16) 2_666
Cs2 Ge3 4.1371(17) 2_666
Cs2 Cs2 4.777(2) 2_676
K O2 2.798(7) .
K O4 2.804(10) .
K O1 2.806(8) .
K O3 2.813(9) .
K O5 2.814(7) .
K O6 2.841(10) .
K N2 2.946(12) .
K N1 2.967(9) .
O1 C11 1.368(18) .
O1 C3 1.408(19) .
O2 C9 1.412(14) .
O2 C16 1.415(13) .
O3 C10 1.48(4) .
O3 C15 1.51(4) .
O4 C1 1.41(2) .
O4 C4 1.42(3) .
O5 C14 1.415(17) .
O5 C8 1.417(13) .
O6 C2 1.33(3) .
O6 C17 1.43(3) .
N1 C5 1.423(18) .
N1 C7 1.459(19) .
N1 C6 1.477(16) .
N2 C13 1.36(4) .
N2 C12 1.44(2) .
N2 C18 1.50(4) .
C1 C15 1.33(4) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.49(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.47(3) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C9 1.492(18) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C11 1.53(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C16 1.438(17) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C18 1.45(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C14 1.48(2) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C17 1.51(4) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
N3 C20 1.24(2) .
N3 H3C 0.9000 .
N3 H3D 0.9000 .
N4 C19 1.379(19) .
N4 H4C 0.9000 .
N4 H4D 0.9000 .
C19 C20 1.49(2) 2_666
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C19 1.49(2) 2_666
C20 H20A 0.9700 .
C20 H20B 0.9700 .
N5 C22 1.26(3) .
N5 N6 2.86(4) 2_676
N5 Cs2 3.490(19) 2_676
N5 H5C 0.9000 .
N5 H5D 0.9000 .
N6 C21 1.45(4) .
N6 C22 2.21(4) 2_676
N6 H6C 0.9000 .
N6 H6D 0.9000 .
C21 C22 1.39(4) 2_676
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C21 1.39(4) 2_676
C22 N6 2.21(4) 2_676
C22 Cs2 3.75(2) 2_676
C22 H22A 0.9700 .
C22 H22B 0.9700 .
N7 C23 1.21(4) .
N7 H7C 0.9000 .
N7 H7D 0.9000 .
N8 C24 1.29(3) .
N8 H8C 0.9000 .
N8 H8D 0.9000 .
C23 C24 1.38(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
