#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:44:19 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252774 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/39/7703993.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_7703993
loop_
_publ_author_name
'Wallach, C.'
'Mayer, K.'
'Henneberger, T.'
'Klein, W.'
'Fässler, T F'
_publ_section_title
;
 Intermediates and products of the reaction of Zn(ii) organyls with tetrel
 element Zintl ions: cluster extension versus complexation.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6191
_journal_page_last               6198
_journal_paper_doi               10.1039/d0dt01096k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '3(C18 H36 K N2 O6), C2 H5 Ge9 Zn, 7.4(H3 N)'
_chemical_formula_sum            'C56 H135.22 Ge9 K3 N13.4 O18 Zn'
_chemical_formula_weight         2120.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-02-05 deposited with the CCDC.	2020-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                97.552(3)
_cell_angle_beta                 91.645(3)
_cell_angle_gamma                117.312(3)
_cell_formula_units_Z            2
_cell_length_a                   14.6139(7)
_cell_length_b                   14.9181(6)
_cell_length_c                   23.6002(8)
_cell_measurement_reflns_used    116757
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.84
_cell_measurement_theta_min      2.145
_cell_volume                     4508.7(3)
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_collection       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_molecular_graphics    'DIAMOND 3.2k'
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            93046
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.145
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    3.416
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.852
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'STOE X-AREA 1.76'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Ammonia'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.012
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         17700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0713P)²+5.8522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1374
_reflns_number_gt                12811
_reflns_number_total             17700
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01096k2.cif
_cod_data_source_block           KM-547
_cod_depositor_comments
'Adding full bibliography for 7703988--7703995.cif.'
_cod_original_formula_sum        'C56 H135.22 Ge9 K3 N13.40 O18 Zn'
_cod_database_code               7703993
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.44112(4) 0.25973(4) 0.22815(2) 0.03376(14) Uani 1 1 d . . . . .
Ge2 Ge 0.26510(5) 0.28455(4) 0.23209(2) 0.03222(13) Uani 1 1 d . . . . .
Ge3 Ge 0.14437(4) 0.07993(4) 0.18197(2) 0.03291(13) Uani 1 1 d . . . . .
Ge4 Ge 0.32395(5) 0.05867(4) 0.17824(2) 0.03274(13) Uani 1 1 d . . . . .
Ge5 Ge 0.40276(5) 0.11214(4) 0.28369(2) 0.03396(14) Uani 1 1 d . . . . .
Ge6 Ge 0.36037(4) 0.27392(4) 0.32214(2) 0.03205(13) Uani 1 1 d . . . . .
Ge7 Ge 0.14824(4) 0.14705(4) 0.28800(2) 0.03369(14) Uani 1 1 d . . . . .
Ge8 Ge 0.18904(5) -0.01944(4) 0.24813(2) 0.03380(14) Uani 1 1 d . . . . .
Ge9 Ge 0.25675(5) 0.09182(5) 0.34802(2) 0.03891(15) Uani 1 1 d . . . . .
Zn Zn 0.30514(5) 0.20452(5) 0.13756(2) 0.03902(16) Uani 1 1 d . . . . .
C1 C 0.3211(5) 0.2591(4) 0.0627(2) 0.0392(13) Uani 1 1 d . . . . .
H1A H 0.3689 0.2409 0.0411 0.047 Uiso 1 1 calc R U . . .
H1B H 0.2530 0.2253 0.0396 0.047 Uiso 1 1 calc R U . . .
C2 C 0.3620(5) 0.3738(4) 0.0702(2) 0.0537(17) Uani 1 1 d . . . . .
H2A H 0.3693 0.3955 0.0324 0.081 Uiso 1 1 calc R U . . .
H2B H 0.4296 0.4080 0.0930 0.081 Uiso 1 1 calc R U . . .
H2C H 0.3135 0.3922 0.0900 0.081 Uiso 1 1 calc R U . . .
K1 K 0.63467(9) 0.76811(8) 0.25239(4) 0.0309(2) Uani 1 1 d . . . . .
N1 N 0.4277(3) 0.7028(3) 0.19031(17) 0.0328(10) Uani 1 1 d . . . . .
N2 N 0.8390(4) 0.8313(3) 0.31535(19) 0.0382(10) Uani 1 1 d . . . . .
O1 O 0.4591(3) 0.6082(3) 0.28533(14) 0.0353(8) Uani 1 1 d . . . . .
O2 O 0.6439(3) 0.6891(3) 0.35806(15) 0.0368(8) Uani 1 1 d . . . . .
O3 O 0.5483(3) 0.9046(2) 0.26191(15) 0.0349(8) Uani 1 1 d . . . . .
O4 O 0.7594(3) 0.9752(2) 0.29970(14) 0.0339(8) Uani 1 1 d . . . . .
O5 O 0.6135(3) 0.7360(3) 0.12952(14) 0.0376(8) Uani 1 1 d . . . . .
O6 O 0.7912(3) 0.7500(3) 0.19140(15) 0.0417(9) Uani 1 1 d . . . . .
C3 C 0.3584(5) 0.5986(4) 0.2007(2) 0.0419(13) Uani 1 1 d . . . . .
H3A H 0.3790 0.5508 0.1786 0.050 Uiso 1 1 calc R U . . .
H3B H 0.2871 0.5799 0.1853 0.050 Uiso 1 1 calc R U . . .
C4 C 0.3568(4) 0.5831(4) 0.2620(2) 0.0379(12) Uani 1 1 d . . . . .
H4A H 0.3321 0.6271 0.2845 0.045 Uiso 1 1 calc R U . . .
H4B H 0.3086 0.5110 0.2645 0.045 Uiso 1 1 calc R U . . .
C5 C 0.4600(4) 0.5866(4) 0.3427(2) 0.0407(13) Uani 1 1 d . . . . .
H5A H 0.4022 0.5183 0.3448 0.049 Uiso 1 1 calc R U . . .
H5B H 0.4510 0.6381 0.3696 0.049 Uiso 1 1 calc R U . . .
C6 C 0.5593(4) 0.5891(4) 0.3588(2) 0.0387(13) Uani 1 1 d . . . . .
H6A H 0.5593 0.5712 0.3977 0.046 Uiso 1 1 calc R U . . .
H6B H 0.5682 0.5380 0.3315 0.046 Uiso 1 1 calc R U . . .
C7 C 0.7407(5) 0.6932(5) 0.3731(3) 0.0472(15) Uani 1 1 d . . . . .
H7A H 0.7511 0.6437 0.3453 0.057 Uiso 1 1 calc R U . . .
H7B H 0.7420 0.6750 0.4118 0.057 Uiso 1 1 calc R U . . .
C8 C 0.8261(5) 0.8007(5) 0.3723(2) 0.0464(14) Uani 1 1 d . . . . .
H8A H 0.8113 0.8494 0.3981 0.056 Uiso 1 1 calc R U . . .
H8B H 0.8922 0.8061 0.3881 0.056 Uiso 1 1 calc R U . . .
C9 C 0.3877(4) 0.7733(4) 0.2139(2) 0.0364(12) Uani 1 1 d . . . . .
H9A H 0.3648 0.7581 0.2522 0.044 Uiso 1 1 calc R U . . .
H9B H 0.3263 0.7605 0.1885 0.044 Uiso 1 1 calc R U . . .
C10 C 0.4653(4) 0.8841(4) 0.2197(2) 0.0373(12) Uani 1 1 d . . . . .
H10A H 0.4926 0.8997 0.1823 0.045 Uiso 1 1 calc R U . . .
H10B H 0.4323 0.9274 0.2318 0.045 Uiso 1 1 calc R U . . .
C11 C 0.6239(4) 1.0103(4) 0.2685(2) 0.0401(13) Uani 1 1 d . . . . .
H11A H 0.5904 1.0541 0.2783 0.048 Uiso 1 1 calc R U . . .
H11B H 0.6553 1.0255 0.2321 0.048 Uiso 1 1 calc R U . . .
C12 C 0.7058(5) 1.0319(4) 0.3154(2) 0.0411(13) Uani 1 1 d . . . . .
H12A H 0.7551 1.1058 0.3225 0.049 Uiso 1 1 calc R U . . .
H12B H 0.6736 1.0132 0.3513 0.049 Uiso 1 1 calc R U . . .
C13 C 0.8443(4) 1.0008(4) 0.3419(2) 0.0404(13) Uani 1 1 d . . . . .
H13A H 0.8177 0.9825 0.3790 0.048 Uiso 1 1 calc R U . . .
H13B H 0.8912 1.0753 0.3476 0.048 Uiso 1 1 calc R U . . .
C14 C 0.9033(4) 0.9438(4) 0.3222(2) 0.0429(13) Uani 1 1 d . . . . .
H14A H 0.9296 0.9624 0.2850 0.051 Uiso 1 1 calc R U . . .
H14B H 0.9638 0.9652 0.3505 0.051 Uiso 1 1 calc R U . . .
C15 C 0.4360(5) 0.7033(4) 0.1288(2) 0.0394(13) Uani 1 1 d . . . . .
H15A H 0.4588 0.7738 0.1212 0.047 Uiso 1 1 calc R U . . .
H15B H 0.3665 0.6594 0.1079 0.047 Uiso 1 1 calc R U . . .
C16 C 0.5103(5) 0.6664(4) 0.1054(2) 0.0424(13) Uani 1 1 d . . . . .
H16A H 0.4910 0.5977 0.1149 0.051 Uiso 1 1 calc R U . . .
H16B H 0.5060 0.6611 0.0630 0.051 Uiso 1 1 calc R U . . .
C17 C 0.6854(5) 0.7077(5) 0.1038(2) 0.0442(14) Uani 1 1 d . . . . .
H17A H 0.6865 0.7164 0.0629 0.053 Uiso 1 1 calc R U . . .
H17B H 0.6639 0.6349 0.1055 0.053 Uiso 1 1 calc R U . . .
C18 C 0.7899(5) 0.7720(5) 0.1342(2) 0.0451(14) Uani 1 1 d . . . . .
H18A H 0.8411 0.7582 0.1134 0.054 Uiso 1 1 calc R U . . .
H18B H 0.8089 0.8452 0.1356 0.054 Uiso 1 1 calc R U . . .
C19 C 0.8944(4) 0.7944(5) 0.2192(2) 0.0453(14) Uani 1 1 d . . . . .
H19A H 0.9313 0.8682 0.2165 0.054 Uiso 1 1 calc R U . . .
H19B H 0.9327 0.7611 0.1997 0.054 Uiso 1 1 calc R U . . .
C20 C 0.8905(5) 0.7808(4) 0.2807(2) 0.0449(14) Uani 1 1 d . . . . .
H20A H 0.8538 0.7067 0.2824 0.054 Uiso 1 1 calc R U . . .
H20B H 0.9622 0.8077 0.2985 0.054 Uiso 1 1 calc R U . . .
N7 N 0.5798(5) 0.5322(4) 0.2015(2) 0.0682(17) Uani 1 1 d . . . . .
H7C H 0.5875 0.5266 0.1633 0.102 Uiso 1 1 calc R U . . .
H7D H 0.5133 0.4895 0.2070 0.102 Uiso 1 1 calc R U . . .
H7E H 0.6234 0.5151 0.2201 0.102 Uiso 1 1 calc R U . . .
K2 K 0.83368(8) 0.26846(8) 0.04831(4) 0.0284(2) Uani 1 1 d . . . . .
N3 N 0.7485(3) 0.4206(3) 0.07938(16) 0.0299(9) Uani 1 1 d . . . . .
N4 N 0.9147(3) 0.1192(3) 0.01611(16) 0.0314(9) Uani 1 1 d . . . . .
O7 O 0.8118(3) 0.3821(3) -0.03541(14) 0.0335(8) Uani 1 1 d . . . . .
O8 O 0.9241(3) 0.2692(3) -0.05837(13) 0.0321(8) Uani 1 1 d . . . . .
O9 O 0.9368(3) 0.4368(3) 0.13887(13) 0.0316(8) Uani 1 1 d . . . . .
O10 O 0.9928(3) 0.2768(2) 0.12003(13) 0.0310(8) Uani 1 1 d . . . . .
O11 O 0.6415(3) 0.2030(3) 0.09283(15) 0.0364(8) Uani 1 1 d . . . . .
O12 O 0.7031(3) 0.0568(3) 0.04803(14) 0.0375(9) Uani 1 1 d . . . . .
C21 C 0.7226(4) 0.4492(4) 0.0261(2) 0.0369(12) Uani 1 1 d . . . . .
H21A H 0.7118 0.5100 0.0362 0.044 Uiso 1 1 calc R U . . .
H21B H 0.6565 0.3926 0.0067 0.044 Uiso 1 1 calc R U . . .
C22 C 0.8043(4) 0.4728(4) -0.0155(2) 0.0346(12) Uani 1 1 d . . . . .
H22A H 0.7855 0.4980 -0.0484 0.041 Uiso 1 1 calc R U . . .
H22B H 0.8719 0.5268 0.0038 0.041 Uiso 1 1 calc R U . . .
C23 C 0.8823(4) 0.3999(4) -0.0783(2) 0.0377(13) Uani 1 1 d . . . . .
H23A H 0.9527 0.4515 -0.0613 0.045 Uiso 1 1 calc R U . . .
H23B H 0.8612 0.4270 -0.1095 0.045 Uiso 1 1 calc R U . . .
C24 C 0.8835(4) 0.3015(4) -0.1026(2) 0.0354(12) Uani 1 1 d . . . . .
H24A H 0.8123 0.2482 -0.1172 0.042 Uiso 1 1 calc R U . . .
H24B H 0.9270 0.3125 -0.1350 0.042 Uiso 1 1 calc R U . . .
C25 C 0.9203(4) 0.1724(4) -0.0799(2) 0.0355(12) Uani 1 1 d . . . . .
H25A H 0.9561 0.1778 -0.1153 0.043 Uiso 1 1 calc R U . . .
H25B H 0.8474 0.1192 -0.0897 0.043 Uiso 1 1 calc R U . . .
C26 C 0.9716(5) 0.1433(4) -0.0353(2) 0.0378(12) Uani 1 1 d . . . . .
H26A H 0.9787 0.0830 -0.0526 0.045 Uiso 1 1 calc R U . . .
H26B H 1.0420 0.2003 -0.0233 0.045 Uiso 1 1 calc R U . . .
C27 C 0.8278(4) 0.5116(4) 0.1178(2) 0.0343(12) Uani 1 1 d . . . . .
H27A H 0.7948 0.5516 0.1359 0.041 Uiso 1 1 calc R U . . .
H27B H 0.8808 0.5552 0.0946 0.041 Uiso 1 1 calc R U . . .
C28 C 0.8802(4) 0.4856(4) 0.1643(2) 0.0366(12) Uani 1 1 d . . . . .
H28A H 0.9279 0.5487 0.1907 0.044 Uiso 1 1 calc R U . . .
H28B H 0.8277 0.4395 0.1868 0.044 Uiso 1 1 calc R U . . .
C29 C 0.9924(4) 0.4169(4) 0.1818(2) 0.0349(12) Uani 1 1 d . . . . .
H29A H 0.9428 0.3686 0.2047 0.042 Uiso 1 1 calc R U . . .
H29B H 1.0373 0.4813 0.2081 0.042 Uiso 1 1 calc R U . . .
C30 C 1.0574(4) 0.3724(4) 0.1555(2) 0.0335(12) Uani 1 1 d . . . . .
H30A H 1.1066 0.4200 0.1322 0.040 Uiso 1 1 calc R U . . .
H30B H 1.0979 0.3624 0.1862 0.040 Uiso 1 1 calc R U . . .
C31 C 1.0555(4) 0.2357(4) 0.0933(2) 0.0389(13) Uani 1 1 d . . . . .
H31A H 1.1059 0.2365 0.1225 0.047 Uiso 1 1 calc R U . . .
H31B H 1.0943 0.2778 0.0646 0.047 Uiso 1 1 calc R U . . .
C32 C 0.9857(5) 0.1277(4) 0.0643(2) 0.0401(13) Uani 1 1 d . . . . .
H32A H 1.0291 0.0963 0.0499 0.048 Uiso 1 1 calc R U . . .
H32B H 0.9444 0.0880 0.0931 0.048 Uiso 1 1 calc R U . . .
C33 C 0.6530(4) 0.3698(4) 0.1079(2) 0.0351(12) Uani 1 1 d . . . . .
H33A H 0.6119 0.4067 0.1051 0.042 Uiso 1 1 calc R U . . .
H33B H 0.6724 0.3747 0.1491 0.042 Uiso 1 1 calc R U . . .
C34 C 0.5870(4) 0.2596(4) 0.0827(2) 0.0378(12) Uani 1 1 d . . . . .
H34A H 0.5211 0.2319 0.1006 0.045 Uiso 1 1 calc R U . . .
H34B H 0.5706 0.2530 0.0409 0.045 Uiso 1 1 calc R U . . .
C35 C 0.5718(4) 0.0951(4) 0.0838(2) 0.0436(14) Uani 1 1 d . . . . .
H35A H 0.5352 0.0732 0.0447 0.052 Uiso 1 1 calc R U . . .
H35B H 0.5196 0.0797 0.1119 0.052 Uiso 1 1 calc R U . . .
C36 C 0.6327(5) 0.0390(4) 0.0913(2) 0.0430(14) Uani 1 1 d . . . . .
H36A H 0.6717 0.0632 0.1299 0.052 Uiso 1 1 calc R U . . .
H36B H 0.5853 -0.0351 0.0879 0.052 Uiso 1 1 calc R U . . .
C37 C 0.7505(5) -0.0078(4) 0.0476(2) 0.0456(14) Uani 1 1 d . . . . .
H37A H 0.6970 -0.0803 0.0386 0.055 Uiso 1 1 calc R U . . .
H37B H 0.7866 0.0033 0.0860 0.055 Uiso 1 1 calc R U . . .
C38 C 0.8269(4) 0.0154(4) 0.0033(2) 0.0370(12) Uani 1 1 d . . . . .
H38A H 0.8539 -0.0348 0.0007 0.044 Uiso 1 1 calc R U . . .
H38B H 0.7905 0.0069 -0.0346 0.044 Uiso 1 1 calc R U . . .
N8 N 0.6310(4) 0.1296(3) -0.0619(2) 0.0453(12) Uani 1 1 d . . . . .
H8C H 0.6468 0.1048 -0.0319 0.068 Uiso 1 1 d R U . . .
H8D H 0.6756 0.1974 -0.0589 0.068 Uiso 1 1 d R U . . .
H8E H 0.6366 0.0957 -0.0955 0.068 Uiso 1 1 d R U . . .
K3 K 0.24054(9) 0.65845(8) 0.44593(4) 0.0320(2) Uani 1 1 d . . . . .
N5 N 0.0698(3) 0.6207(3) 0.35713(17) 0.0340(10) Uani 1 1 d . . . . .
N6 N 0.4070(4) 0.6956(4) 0.53453(18) 0.0439(11) Uani 1 1 d . . . . .
O13 O 0.0688(3) 0.6871(3) 0.47864(14) 0.0385(9) Uani 1 1 d . . . . .
O14 O 0.2064(3) 0.6804(3) 0.56417(14) 0.0411(9) Uani 1 1 d . . . . .
O15 O 0.1233(3) 0.4604(3) 0.38200(13) 0.0330(8) Uani 1 1 d . . . . .
O16 O 0.3077(3) 0.5089(3) 0.44903(14) 0.0354(8) Uani 1 1 d . . . . .
O17 O 0.2869(3) 0.7781(3) 0.35631(15) 0.0415(9) Uani 1 1 d . . . . .
O18 O 0.4324(3) 0.8367(3) 0.45327(17) 0.0541(11) Uani 1 1 d . . . . .
C39 C 0.0043(5) 0.6645(5) 0.3813(2) 0.0404(13) Uani 1 1 d . . . . .
H39A H -0.0603 0.6368 0.3553 0.048 Uiso 1 1 calc R U . . .
H39B H 0.0410 0.7395 0.3823 0.048 Uiso 1 1 calc R U . . .
C40 C -0.0235(5) 0.6433(5) 0.4406(2) 0.0420(13) Uani 1 1 d . . . . .
H40A H -0.0689 0.6733 0.4536 0.050 Uiso 1 1 calc R U . . .
H40B H -0.0614 0.5686 0.4404 0.050 Uiso 1 1 calc R U . . .
C41 C 0.0457(5) 0.6742(5) 0.5360(2) 0.0462(14) Uani 1 1 d . . . . .
H41A H 0.0109 0.6005 0.5387 0.055 Uiso 1 1 calc R U . . .
H41B H -0.0019 0.7024 0.5471 0.055 Uiso 1 1 calc R U . . .
C42 C 0.1425(5) 0.7275(5) 0.5759(2) 0.0449(14) Uani 1 1 d . . . . .
H42A H 0.1799 0.8002 0.5713 0.054 Uiso 1 1 calc R U . . .
H42B H 0.1251 0.7245 0.6161 0.054 Uiso 1 1 calc R U . . .
C43 C 0.2955(5) 0.7255(5) 0.6046(2) 0.0536(17) Uani 1 1 d . . . . .
H43A H 0.2744 0.7158 0.6437 0.064 Uiso 1 1 calc R U . . .
H43B H 0.3341 0.7998 0.6038 0.064 Uiso 1 1 calc R U . . .
C44 C 0.3638(5) 0.6765(5) 0.5900(2) 0.0517(16) Uani 1 1 d . . . . .
H44A H 0.4215 0.7028 0.6208 0.062 Uiso 1 1 calc R U . . .
H44B H 0.3231 0.6018 0.5889 0.062 Uiso 1 1 calc R U . . .
C45 C 0.0064(4) 0.5102(4) 0.3388(2) 0.0378(12) Uani 1 1 d . . . . .
H45A H -0.0366 0.4985 0.3028 0.045 Uiso 1 1 calc R U . . .
H45B H -0.0410 0.4824 0.3684 0.045 Uiso 1 1 calc R U . . .
C46 C 0.0670(4) 0.4515(4) 0.3291(2) 0.0383(12) Uani 1 1 d . . . . .
H46A H 0.0192 0.3787 0.3144 0.046 Uiso 1 1 calc R U . . .
H46B H 0.1158 0.4791 0.3000 0.046 Uiso 1 1 calc R U . . .
C47 C 0.1722(4) 0.3967(4) 0.3744(2) 0.0327(11) Uani 1 1 d . . . . .
H47A H 0.2203 0.4175 0.3444 0.039 Uiso 1 1 calc R U . . .
H47B H 0.1193 0.3248 0.3617 0.039 Uiso 1 1 calc R U . . .
C48 C 0.2306(4) 0.4053(4) 0.4295(2) 0.0368(12) Uani 1 1 d . . . . .
H48A H 0.1819 0.3815 0.4590 0.044 Uiso 1 1 calc R U . . .
H48B H 0.2643 0.3608 0.4238 0.044 Uiso 1 1 calc R U . . .
C49 C 0.3700(5) 0.5163(5) 0.4984(2) 0.0456(14) Uani 1 1 d . . . . .
H49A H 0.4042 0.4729 0.4894 0.055 Uiso 1 1 calc R U . . .
H49B H 0.3259 0.4913 0.5298 0.055 Uiso 1 1 calc R U . . .
C50 C 0.4496(5) 0.6238(5) 0.5176(2) 0.0493(15) Uani 1 1 d . . . . .
H50A H 0.4938 0.6475 0.4861 0.059 Uiso 1 1 calc R U . . .
H50B H 0.4944 0.6263 0.5507 0.059 Uiso 1 1 calc R U . . .
C51 C 0.1181(4) 0.6702(4) 0.3081(2) 0.0384(13) Uani 1 1 d . . . . .
H51A H 0.0638 0.6697 0.2818 0.046 Uiso 1 1 calc R U . . .
H51B H 0.1474 0.6293 0.2867 0.046 Uiso 1 1 calc R U . . .
C52 C 0.2021(5) 0.7782(5) 0.3246(2) 0.0472(15) Uani 1 1 d . . . . .
H52A H 0.2254 0.8091 0.2897 0.057 Uiso 1 1 calc R U . . .
H52B H 0.1756 0.8193 0.3483 0.057 Uiso 1 1 calc R U . . .
C53 C 0.3684(5) 0.8802(4) 0.3734(3) 0.0493(15) Uani 1 1 d . . . . .
H53A H 0.3441 0.9195 0.4004 0.059 Uiso 1 1 calc R U . . .
H53B H 0.3884 0.9146 0.3393 0.059 Uiso 1 1 calc R U . . .
C54 C 0.4587(5) 0.8782(5) 0.4014(3) 0.0559(17) Uani 1 1 d . . . . .
H54A H 0.4808 0.8359 0.3752 0.067 Uiso 1 1 calc R U . . .
H54B H 0.5171 0.9484 0.4101 0.067 Uiso 1 1 calc R U . . .
C55 C 0.5204(5) 0.8371(5) 0.4832(3) 0.0640(19) Uani 1 1 d . . . . .
H55A H 0.5795 0.9070 0.4896 0.077 Uiso 1 1 calc R U . . .
H55B H 0.5416 0.7910 0.4598 0.077 Uiso 1 1 calc R U . . .
C56 C 0.4908(6) 0.8019(5) 0.5397(3) 0.0609(18) Uani 1 1 d . . . . .
H56A H 0.5527 0.8075 0.5615 0.073 Uiso 1 1 calc R U . . .
H56B H 0.4687 0.8481 0.5622 0.073 Uiso 1 1 calc R U . . .
N9 N 0.7307(4) 0.4637(4) 0.2904(2) 0.0612(15) Uani 1 1 d . . . . .
H9C H 0.6985 0.4441 0.3224 0.092 Uiso 1 1 d R U . . .
H9D H 0.7943 0.5183 0.3008 0.092 Uiso 1 1 d R U . . .
H9E H 0.7378 0.4109 0.2706 0.092 Uiso 1 1 d R U . . .
N10 N 0.7292(4) 0.2594(4) 0.2301(2) 0.0563(14) Uani 1 1 d . . . . .
H10C H 0.7842 0.2546 0.2457 0.084 Uiso 1 1 d R U . . .
H10D H 0.7337 0.2606 0.1918 0.084 Uiso 1 1 d R U . . .
H10E H 0.6694 0.2045 0.2355 0.084 Uiso 1 1 d R U . . .
N11 N 0.9029(4) 0.1652(4) 0.2328(2) 0.0562(14) Uani 1 1 d . . . . .
H11C H 0.9470 0.1950 0.2655 0.084 Uiso 1 1 d R U . . .
H11D H 0.9396 0.1792 0.2017 0.084 Uiso 1 1 d R U . . .
H11E H 0.8684 0.0963 0.2318 0.084 Uiso 1 1 d R U . . .
N12 N 0.0735(7) 0.1502(6) 0.4612(3) 0.120(3) Uani 1 1 d . . . . .
H12C H 0.0173 0.1270 0.4815 0.181 Uiso 1 1 d R U . . .
H12D H 0.1252 0.1429 0.4792 0.181 Uiso 1 1 d R U . . .
H12E H 0.0561 0.1134 0.4251 0.181 Uiso 1 1 d R U . . .
N13 N 0.2710(13) 0.2082(16) 0.5035(6) 0.096(8) Uani 0.388(15) 1 d . . P . .
H13C H 0.2817 0.2042 0.4656 0.143 Uiso 0.388(15) 1 d R U P . .
H13D H 0.2742 0.1557 0.5176 0.143 Uiso 0.388(15) 1 d R U P . .
H13E H 0.3206 0.2688 0.5233 0.143 Uiso 0.388(15) 1 d R U P . .
N14 N 0.1665(7) 0.9501(6) 0.4844(3) 0.130(4) Uani 1 1 d . . . . .
H14C H 0.1404 0.8809 0.4781 0.195 Uiso 1 1 d R U . . .
H14D H 0.2254 0.9787 0.5090 0.195 Uiso 1 1 d R U . . .
H14E H 0.1812 0.9738 0.4505 0.195 Uiso 1 1 d R U . . .
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'
Zn Zn 0.2839 1.4301 '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'
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
Ge5 Ge1 Ge6 66.24(2) . . ?
Ge5 Ge1 Zn 111.97(3) . . ?
Ge6 Ge1 Zn 111.31(3) . . ?
Ge5 Ge1 Ge4 57.88(2) . . ?
Ge6 Ge1 Ge4 103.98(2) . . ?
Zn Ge1 Ge4 57.86(2) . . ?
Ge5 Ge1 Ge2 103.84(2) . . ?
Ge6 Ge1 Ge2 57.43(2) . . ?
Zn Ge1 Ge2 57.42(2) . . ?
Ge4 Ge1 Ge2 90.40(2) . . ?
Ge7 Ge2 Ge6 66.70(2) . . ?
Ge7 Ge2 Zn 111.29(3) . . ?
Ge6 Ge2 Zn 112.83(3) . . ?
Ge7 Ge2 Ge1 103.87(2) . . ?
Ge6 Ge2 Ge1 57.52(2) . . ?
Zn Ge2 Ge1 58.96(2) . . ?
Ge7 Ge2 Ge3 57.00(2) . . ?
Ge6 Ge2 Ge3 103.54(2) . . ?
Zn Ge2 Ge3 57.28(2) . . ?
Ge1 Ge2 Ge3 90.06(2) . . ?
Ge8 Ge3 Ge7 68.12(2) . . ?
Ge8 Ge3 Zn 112.11(3) . . ?
Ge7 Ge3 Zn 111.18(3) . . ?
Ge8 Ge3 Ge4 57.10(2) . . ?
Ge7 Ge3 Ge4 103.45(2) . . ?
Zn Ge3 Ge4 57.93(2) . . ?
Ge8 Ge3 Ge2 104.11(2) . . ?
Ge7 Ge3 Ge2 56.61(2) . . ?
Zn Ge3 Ge2 57.55(2) . . ?
Ge4 Ge3 Ge2 88.98(2) . . ?
Ge8 Ge4 Ge5 67.36(2) . . ?
Ge8 Ge4 Zn 111.19(3) . . ?
Ge5 Ge4 Zn 112.57(3) . . ?
Ge8 Ge4 Ge1 104.69(2) . . ?
Ge5 Ge4 Ge1 57.35(2) . . ?
Zn Ge4 Ge1 59.04(2) . . ?
Ge8 Ge4 Ge3 56.77(2) . . ?
Ge5 Ge4 Ge3 103.59(2) . . ?
Zn Ge4 Ge3 57.29(2) . . ?
Ge1 Ge4 Ge3 90.56(2) . . ?
Ge1 Ge5 Ge4 64.77(2) . . ?
Ge1 Ge5 Ge9 109.61(3) . . ?
Ge4 Ge5 Ge9 108.08(3) . . ?
Ge1 Ge5 Ge6 57.095(19) . . ?
Ge4 Ge5 Ge6 102.41(2) . . ?
Ge9 Ge5 Ge6 57.57(2) . . ?
Ge1 Ge5 Ge8 101.98(2) . . ?
Ge4 Ge5 Ge8 56.07(2) . . ?
Ge9 Ge5 Ge8 56.35(2) . . ?
Ge6 Ge5 Ge8 90.70(2) . . ?
Ge2 Ge6 Ge1 65.06(2) . . ?
Ge2 Ge6 Ge9 108.19(3) . . ?
Ge1 Ge6 Ge9 108.62(3) . . ?
Ge2 Ge6 Ge5 102.49(2) . . ?
Ge1 Ge6 Ge5 56.661(19) . . ?
Ge9 Ge6 Ge5 56.92(2) . . ?
Ge2 Ge6 Ge7 56.29(2) . . ?
Ge1 Ge6 Ge7 101.90(2) . . ?
Ge9 Ge6 Ge7 56.39(2) . . ?
Ge5 Ge6 Ge7 90.47(2) . . ?
Ge2 Ge7 Ge3 66.39(2) . . ?
Ge2 Ge7 Ge9 109.97(3) . . ?
Ge3 Ge7 Ge9 108.39(3) . . ?
Ge2 Ge7 Ge6 57.01(2) . . ?
Ge3 Ge7 Ge6 103.34(2) . . ?
Ge9 Ge7 Ge6 57.61(2) . . ?
Ge2 Ge7 Ge8 102.34(2) . . ?
Ge3 Ge7 Ge8 55.779(19) . . ?
Ge9 Ge7 Ge8 56.31(2) . . ?
Ge6 Ge7 Ge8 90.20(2) . . ?
Ge3 Ge8 Ge4 66.12(2) . . ?
Ge3 Ge8 Ge9 108.42(3) . . ?
Ge4 Ge8 Ge9 108.80(3) . . ?
Ge3 Ge8 Ge5 102.59(2) . . ?
Ge4 Ge8 Ge5 56.58(2) . . ?
Ge9 Ge8 Ge5 56.61(2) . . ?
Ge3 Ge8 Ge7 56.100(19) . . ?
Ge4 Ge8 Ge7 101.42(2) . . ?
Ge9 Ge8 Ge7 56.01(2) . . ?
Ge5 Ge8 Ge7 88.64(2) . . ?
Ge7 Ge9 Ge8 67.68(2) . . ?
Ge7 Ge9 Ge5 101.60(2) . . ?
Ge8 Ge9 Ge5 67.04(2) . . ?
Ge7 Ge9 Ge6 66.00(2) . . ?
Ge8 Ge9 Ge6 101.96(2) . . ?
Ge5 Ge9 Ge6 65.51(2) . . ?
C1 Zn Ge3 132.13(17) . . ?
C1 Zn Ge2 125.19(16) . . ?
Ge3 Zn Ge2 65.17(2) . . ?
C1 Zn Ge4 137.39(16) . . ?
Ge3 Zn Ge4 64.78(2) . . ?
Ge2 Zn Ge4 97.33(2) . . ?
C1 Zn Ge1 129.97(17) . . ?
Ge3 Zn Ge1 97.41(2) . . ?
Ge2 Zn Ge1 63.62(2) . . ?
Ge4 Zn Ge1 63.10(2) . . ?
C2 C1 Zn 113.6(4) . . ?
C2 C1 H1A 108.8 . . ?
Zn C1 H1A 108.8 . . ?
C2 C1 H1B 108.8 . . ?
Zn C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O1 K1 O4 133.87(11) . . ?
O1 K1 O6 126.60(11) . . ?
O4 K1 O6 94.77(11) . . ?
O1 K1 O3 93.76(11) . . ?
O4 K1 O3 60.22(10) . . ?
O6 K1 O3 135.45(11) . . ?
O1 K1 O5 106.56(11) . . ?
O4 K1 O5 112.15(10) . . ?
O6 K1 O5 60.07(11) . . ?
O3 K1 O5 93.80(10) . . ?
O1 K1 O2 58.75(10) . . ?
O4 K1 O2 95.51(10) . . ?
O6 K1 O2 104.01(11) . . ?
O3 K1 O2 113.94(10) . . ?
O5 K1 O2 148.29(11) . . ?
O1 K1 N2 118.45(11) . . ?
O4 K1 N2 60.77(11) . . ?
O6 K1 N2 61.03(12) . . ?
O3 K1 N2 119.54(12) . . ?
O5 K1 N2 119.51(12) . . ?
O2 K1 N2 60.59(11) . . ?
O1 K1 N1 60.78(11) . . ?
O4 K1 N1 119.55(11) . . ?
O6 K1 N1 119.49(11) . . ?
O3 K1 N1 60.61(11) . . ?
O5 K1 N1 61.15(11) . . ?
O2 K1 N1 118.62(11) . . ?
N2 K1 N1 179.21(12) . . ?
O1 K1 N7 61.28(13) . . ?
O4 K1 N7 157.35(14) . . ?
O6 K1 N7 65.98(13) . . ?
O3 K1 N7 142.09(14) . . ?
O5 K1 N7 69.70(12) . . ?
O2 K1 N7 78.80(12) . . ?
N2 K1 N7 98.03(15) . . ?
N1 K1 N7 81.76(14) . . ?
C15 N1 C3 110.1(4) . . ?
C15 N1 C9 110.4(4) . . ?
C3 N1 C9 109.7(4) . . ?
C15 N1 K1 110.3(3) . . ?
C3 N1 K1 107.5(3) . . ?
C9 N1 K1 108.8(3) . . ?
C8 N2 C14 109.0(4) . . ?
C8 N2 C20 110.3(4) . . ?
C14 N2 C20 109.4(4) . . ?
C8 N2 K1 110.5(3) . . ?
C14 N2 K1 110.2(3) . . ?
C20 N2 K1 107.4(3) . . ?
C5 O1 C4 111.7(4) . . ?
C5 O1 K1 119.5(3) . . ?
C4 O1 K1 121.1(3) . . ?
C7 O2 C6 111.5(4) . . ?
C7 O2 K1 114.1(3) . . ?
C6 O2 K1 112.9(3) . . ?
C11 O3 C10 109.7(4) . . ?
C11 O3 K1 113.8(3) . . ?
C10 O3 K1 117.6(3) . . ?
C12 O4 C13 111.4(4) . . ?
C12 O4 K1 115.8(3) . . ?
C13 O4 K1 118.3(3) . . ?
C17 O5 C16 110.7(4) . . ?
C17 O5 K1 114.5(3) . . ?
C16 O5 K1 112.7(3) . . ?
C18 O6 C19 112.0(4) . . ?
C18 O6 K1 112.7(3) . . ?
C19 O6 K1 119.3(3) . . ?
N1 C3 C4 115.8(4) . . ?
N1 C3 H3A 108.3 . . ?
C4 C3 H3A 108.3 . . ?
N1 C3 H3B 108.3 . . ?
C4 C3 H3B 108.3 . . ?
H3A C3 H3B 107.4 . . ?
O1 C4 C3 109.6(4) . . ?
O1 C4 H4A 109.7 . . ?
C3 C4 H4A 109.7 . . ?
O1 C4 H4B 109.7 . . ?
C3 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
O1 C5 C6 109.0(4) . . ?
O1 C5 H5A 109.9 . . ?
C6 C5 H5A 109.9 . . ?
O1 C5 H5B 109.9 . . ?
C6 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
O2 C6 C5 110.5(4) . . ?
O2 C6 H6A 109.5 . . ?
C5 C6 H6A 109.5 . . ?
O2 C6 H6B 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
O2 C7 C8 108.8(4) . . ?
O2 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
O2 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
N2 C8 C7 114.6(5) . . ?
N2 C8 H8A 108.6 . . ?
C7 C8 H8A 108.6 . . ?
N2 C8 H8B 108.6 . . ?
C7 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
N1 C9 C10 113.7(4) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
O3 C10 C9 108.4(4) . . ?
O3 C10 H10A 110.0 . . ?
C9 C10 H10A 110.0 . . ?
O3 C10 H10B 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
O3 C11 C12 109.0(4) . . ?
O3 C11 H11A 109.9 . . ?
C12 C11 H11A 109.9 . . ?
O3 C11 H11B 109.9 . . ?
C12 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
O4 C12 C11 110.2(4) . . ?
O4 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
O4 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
O4 C13 C14 110.0(4) . . ?
O4 C13 H13A 109.7 . . ?
C14 C13 H13A 109.7 . . ?
O4 C13 H13B 109.7 . . ?
C14 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
N2 C14 C13 112.6(5) . . ?
N2 C14 H14A 109.1 . . ?
C13 C14 H14A 109.1 . . ?
N2 C14 H14B 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
N1 C15 C16 114.0(4) . . ?
N1 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
N1 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.6 . . ?
O5 C16 C15 110.0(4) . . ?
O5 C16 H16A 109.7 . . ?
C15 C16 H16A 109.7 . . ?
O5 C16 H16B 109.7 . . ?
C15 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
O5 C17 C18 110.0(5) . . ?
O5 C17 H17A 109.7 . . ?
C18 C17 H17A 109.7 . . ?
O5 C17 H17B 109.7 . . ?
C18 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
O6 C18 C17 109.5(4) . . ?
O6 C18 H18A 109.8 . . ?
C17 C18 H18A 109.8 . . ?
O6 C18 H18B 109.8 . . ?
C17 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
O6 C19 C20 109.6(4) . . ?
O6 C19 H19A 109.8 . . ?
C20 C19 H19A 109.8 . . ?
O6 C19 H19B 109.8 . . ?
C20 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
N2 C20 C19 115.1(5) . . ?
N2 C20 H20A 108.5 . . ?
C19 C20 H20A 108.5 . . ?
N2 C20 H20B 108.5 . . ?
C19 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
K1 N7 H7C 109.5 . . ?
K1 N7 H7D 109.5 . . ?
H7C N7 H7D 109.5 . . ?
K1 N7 H7E 109.5 . . ?
H7C N7 H7E 109.5 . . ?
H7D N7 H7E 109.5 . . ?
O10 K2 O11 115.88(11) . . ?
O10 K2 O12 94.13(11) . . ?
O11 K2 O12 59.85(10) . . ?
O10 K2 O9 60.80(10) . . ?
O11 K2 O9 93.39(10) . . ?
O12 K2 O9 132.26(10) . . ?
O10 K2 O7 137.31(11) . . ?
O11 K2 O7 100.24(11) . . ?
O12 K2 O7 124.66(11) . . ?
O9 K2 O7 96.83(10) . . ?
O10 K2 O8 98.13(10) . . ?
O11 K2 O8 141.68(11) . . ?
O12 K2 O8 102.71(10) . . ?
O9 K2 O8 119.61(10) . . ?
O7 K2 O8 59.70(9) . . ?
O10 K2 N4 61.31(10) . . ?
O11 K2 N4 119.83(11) . . ?
O12 K2 N4 60.56(11) . . ?
O9 K2 N4 121.31(11) . . ?
O7 K2 N4 119.65(10) . . ?
O8 K2 N4 60.98(10) . . ?
O10 K2 N3 119.62(10) . . ?
O11 K2 N3 60.11(11) . . ?
O12 K2 N3 119.22(11) . . ?
O9 K2 N3 59.58(10) . . ?
O7 K2 N3 59.61(10) . . ?
O8 K2 N3 118.41(10) . . ?
N4 K2 N3 179.05(11) . . ?
O10 K2 H8C 137.3 . . ?
O11 K2 H8C 64.3 . . ?
O12 K2 H8C 46.9 . . ?
O9 K2 H8C 155.2 . . ?
O7 K2 H8C 77.8 . . ?
O8 K2 H8C 78.9 . . ?
N4 K2 H8C 81.3 . . ?
N3 K2 H8C 97.9 . . ?
C21 N3 C27 110.6(4) . . ?
C21 N3 C33 108.9(4) . . ?
C27 N3 C33 110.9(4) . . ?
C21 N3 K2 108.7(3) . . ?
C27 N3 K2 109.0(3) . . ?
C33 N3 K2 108.7(3) . . ?
C32 N4 C38 110.8(4) . . ?
C32 N4 C26 109.2(4) . . ?
C38 N4 C26 109.5(4) . . ?
C32 N4 K2 108.6(3) . . ?
C38 N4 K2 108.9(3) . . ?
C26 N4 K2 109.8(3) . . ?
C23 O7 C22 110.3(4) . . ?
C23 O7 K2 114.6(3) . . ?
C22 O7 K2 118.1(3) . . ?
C24 O8 C25 109.6(4) . . ?
C24 O8 K2 114.8(3) . . ?
C25 O8 K2 112.8(3) . . ?
C29 O9 C28 111.0(3) . . ?
C29 O9 K2 112.8(3) . . ?
C28 O9 K2 118.5(3) . . ?
C30 O10 C31 109.8(4) . . ?
C30 O10 K2 116.7(3) . . ?
C31 O10 K2 115.7(3) . . ?
C34 O11 C35 110.7(4) . . ?
C34 O11 K2 115.8(3) . . ?
C35 O11 K2 117.9(3) . . ?
C37 O12 C36 111.0(4) . . ?
C37 O12 K2 117.6(3) . . ?
C36 O12 K2 112.4(3) . . ?
N3 C21 C22 114.0(4) . . ?
N3 C21 H21A 108.8 . . ?
C22 C21 H21A 108.8 . . ?
N3 C21 H21B 108.8 . . ?
C22 C21 H21B 108.8 . . ?
H21A C21 H21B 107.6 . . ?
O7 C22 C21 109.1(4) . . ?
O7 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
O7 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
O7 C23 C24 110.1(4) . . ?
O7 C23 H23A 109.6 . . ?
C24 C23 H23A 109.6 . . ?
O7 C23 H23B 109.6 . . ?
C24 C23 H23B 109.6 . . ?
H23A C23 H23B 108.2 . . ?
O8 C24 C23 108.8(4) . . ?
O8 C24 H24A 109.9 . . ?
C23 C24 H24A 109.9 . . ?
O8 C24 H24B 109.9 . . ?
C23 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
O8 C25 C26 109.5(4) . . ?
O8 C25 H25A 109.8 . . ?
C26 C25 H25A 109.8 . . ?
O8 C25 H25B 109.8 . . ?
C26 C25 H25B 109.8 . . ?
H25A C25 H25B 108.2 . . ?
N4 C26 C25 113.7(4) . . ?
N4 C26 H26A 108.8 . . ?
C25 C26 H26A 108.8 . . ?
N4 C26 H26B 108.8 . . ?
C25 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
N3 C27 C28 113.2(4) . . ?
N3 C27 H27A 108.9 . . ?
C28 C27 H27A 108.9 . . ?
N3 C27 H27B 108.9 . . ?
C28 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
O9 C28 C27 109.6(4) . . ?
O9 C28 H28A 109.7 . . ?
C27 C28 H28A 109.7 . . ?
O9 C28 H28B 109.7 . . ?
C27 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
O9 C29 C30 111.2(4) . . ?
O9 C29 H29A 109.4 . . ?
C30 C29 H29A 109.4 . . ?
O9 C29 H29B 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
O10 C30 C29 109.8(4) . . ?
O10 C30 H30A 109.7 . . ?
C29 C30 H30A 109.7 . . ?
O10 C30 H30B 109.7 . . ?
C29 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
O10 C31 C32 108.6(4) . . ?
O10 C31 H31A 110.0 . . ?
C32 C31 H31A 110.0 . . ?
O10 C31 H31B 110.0 . . ?
C32 C31 H31B 110.0 . . ?
H31A C31 H31B 108.4 . . ?
N4 C32 C31 114.2(4) . . ?
N4 C32 H32A 108.7 . . ?
C31 C32 H32A 108.7 . . ?
N4 C32 H32B 108.7 . . ?
C31 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
N3 C33 C34 113.6(4) . . ?
N3 C33 H33A 108.8 . . ?
C34 C33 H33A 108.8 . . ?
N3 C33 H33B 108.8 . . ?
C34 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
O11 C34 C33 109.3(4) . . ?
O11 C34 H34A 109.8 . . ?
C33 C34 H34A 109.8 . . ?
O11 C34 H34B 109.8 . . ?
C33 C34 H34B 109.8 . . ?
H34A C34 H34B 108.3 . . ?
O11 C35 C36 108.8(5) . . ?
O11 C35 H35A 109.9 . . ?
C36 C35 H35A 109.9 . . ?
O11 C35 H35B 109.9 . . ?
C36 C35 H35B 109.9 . . ?
H35A C35 H35B 108.3 . . ?
O12 C36 C35 109.1(4) . . ?
O12 C36 H36A 109.9 . . ?
C35 C36 H36A 109.9 . . ?
O12 C36 H36B 109.9 . . ?
C35 C36 H36B 109.9 . . ?
H36A C36 H36B 108.3 . . ?
O12 C37 C38 109.8(4) . . ?
O12 C37 H37A 109.7 . . ?
C38 C37 H37A 109.7 . . ?
O12 C37 H37B 109.7 . . ?
C38 C37 H37B 109.7 . . ?
H37A C37 H37B 108.2 . . ?
N4 C38 C37 113.5(4) . . ?
N4 C38 H38A 108.9 . . ?
C37 C38 H38A 108.9 . . ?
N4 C38 H38B 108.9 . . ?
C37 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
H8C N8 H8D 109.5 . . ?
H8C N8 H8E 109.5 . . ?
H8D N8 H8E 109.5 . . ?
O18 K3 O15 142.27(12) . . ?
O18 K3 O16 100.69(13) . . ?
O15 K3 O16 59.88(10) . . ?
O18 K3 O17 59.93(12) . . ?
O15 K3 O17 100.51(10) . . ?
O16 K3 O17 121.18(11) . . ?
O18 K3 O13 116.50(13) . . ?
O15 K3 O13 96.29(11) . . ?
O16 K3 O13 137.38(11) . . ?
O17 K3 O13 96.22(11) . . ?
O18 K3 O14 97.57(12) . . ?
O15 K3 O14 115.59(11) . . ?
O16 K3 O14 96.67(10) . . ?
O17 K3 O14 137.69(11) . . ?
O13 K3 O14 60.10(10) . . ?
O18 K3 N6 61.01(13) . . ?
O15 K3 N6 119.36(12) . . ?
O16 K3 N6 60.77(12) . . ?
O17 K3 N6 119.77(13) . . ?
O13 K3 N6 119.69(12) . . ?
O14 K3 N6 60.88(12) . . ?
O18 K3 N5 119.35(12) . . ?
O15 K3 N5 60.81(11) . . ?
O16 K3 N5 119.55(11) . . ?
O17 K3 N5 60.71(12) . . ?
O13 K3 N5 59.62(11) . . ?
O14 K3 N5 118.40(12) . . ?
N6 K3 N5 179.28(13) . . ?
C45 N5 C39 109.4(4) . . ?
C45 N5 C51 110.4(4) . . ?
C39 N5 C51 109.9(4) . . ?
C45 N5 K3 109.1(3) . . ?
C39 N5 K3 110.2(3) . . ?
C51 N5 K3 107.8(3) . . ?
C44 N6 C56 110.3(5) . . ?
C44 N6 C50 108.7(5) . . ?
C56 N6 C50 109.1(5) . . ?
C44 N6 K3 109.4(4) . . ?
C56 N6 K3 110.2(3) . . ?
C50 N6 K3 109.1(3) . . ?
C40 O13 C41 110.8(4) . . ?
C40 O13 K3 119.8(3) . . ?
C41 O13 K3 114.9(3) . . ?
C42 O14 C43 110.6(4) . . ?
C42 O14 K3 113.0(3) . . ?
C43 O14 K3 116.6(3) . . ?
C47 O15 C46 109.8(4) . . ?
C47 O15 K3 117.1(3) . . ?
C46 O15 K3 117.3(3) . . ?
C49 O16 C48 111.3(4) . . ?
C49 O16 K3 118.6(3) . . ?
C48 O16 K3 115.5(3) . . ?
C52 O17 C53 110.6(4) . . ?
C52 O17 K3 117.5(3) . . ?
C53 O17 K3 113.4(3) . . ?
C54 O18 C55 111.3(5) . . ?
C54 O18 K3 115.8(3) . . ?
C55 O18 K3 117.1(3) . . ?
N5 C39 C40 114.3(4) . . ?
N5 C39 H39A 108.7 . . ?
C40 C39 H39A 108.7 . . ?
N5 C39 H39B 108.7 . . ?
C40 C39 H39B 108.7 . . ?
H39A C39 H39B 107.6 . . ?
O13 C40 C39 108.9(5) . . ?
O13 C40 H40A 109.9 . . ?
C39 C40 H40A 109.9 . . ?
O13 C40 H40B 109.9 . . ?
C39 C40 H40B 109.9 . . ?
H40A C40 H40B 108.3 . . ?
O13 C41 C42 110.2(5) . . ?
O13 C41 H41A 109.6 . . ?
C42 C41 H41A 109.6 . . ?
O13 C41 H41B 109.6 . . ?
C42 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
O14 C42 C41 110.0(5) . . ?
O14 C42 H42A 109.7 . . ?
C41 C42 H42A 109.7 . . ?
O14 C42 H42B 109.7 . . ?
C41 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
O14 C43 C44 109.5(5) . . ?
O14 C43 H43A 109.8 . . ?
C44 C43 H43A 109.8 . . ?
O14 C43 H43B 109.8 . . ?
C44 C43 H43B 109.8 . . ?
H43A C43 H43B 108.2 . . ?
N6 C44 C43 113.5(5) . . ?
N6 C44 H44A 108.9 . . ?
C43 C44 H44A 108.9 . . ?
N6 C44 H44B 108.9 . . ?
C43 C44 H44B 108.9 . . ?
H44A C44 H44B 107.7 . . ?
N5 C45 C46 114.7(5) . . ?
N5 C45 H45A 108.6 . . ?
C46 C45 H45A 108.6 . . ?
N5 C45 H45B 108.6 . . ?
C46 C45 H45B 108.6 . . ?
H45A C45 H45B 107.6 . . ?
O15 C46 C45 109.5(4) . . ?
O15 C46 H46A 109.8 . . ?
C45 C46 H46A 109.8 . . ?
O15 C46 H46B 109.8 . . ?
C45 C46 H46B 109.8 . . ?
H46A C46 H46B 108.2 . . ?
O15 C47 C48 110.1(4) . . ?
O15 C47 H47A 109.6 . . ?
C48 C47 H47A 109.6 . . ?
O15 C47 H47B 109.6 . . ?
C48 C47 H47B 109.6 . . ?
H47A C47 H47B 108.2 . . ?
O16 C48 C47 110.9(4) . . ?
O16 C48 H48A 109.5 . . ?
C47 C48 H48A 109.5 . . ?
O16 C48 H48B 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 108.1 . . ?
O16 C49 C50 110.4(5) . . ?
O16 C49 H49A 109.6 . . ?
C50 C49 H49A 109.6 . . ?
O16 C49 H49B 109.6 . . ?
C50 C49 H49B 109.6 . . ?
H49A C49 H49B 108.1 . . ?
C49 C50 N6 114.3(5) . . ?
C49 C50 H50A 108.7 . . ?
N6 C50 H50A 108.7 . . ?
C49 C50 H50B 108.7 . . ?
N6 C50 H50B 108.7 . . ?
H50A C50 H50B 107.6 . . ?
N5 C51 C52 114.2(4) . . ?
N5 C51 H51A 108.7 . . ?
C52 C51 H51A 108.7 . . ?
N5 C51 H51B 108.7 . . ?
C52 C51 H51B 108.7 . . ?
H51A C51 H51B 107.6 . . ?
O17 C52 C51 109.0(4) . . ?
O17 C52 H52A 109.9 . . ?
C51 C52 H52A 109.9 . . ?
O17 C52 H52B 109.9 . . ?
C51 C52 H52B 109.9 . . ?
H52A C52 H52B 108.3 . . ?
O17 C53 C54 109.9(5) . . ?
O17 C53 H53A 109.7 . . ?
C54 C53 H53A 109.7 . . ?
O17 C53 H53B 109.7 . . ?
C54 C53 H53B 109.7 . . ?
H53A C53 H53B 108.2 . . ?
O18 C54 C53 109.7(5) . . ?
O18 C54 H54A 109.7 . . ?
C53 C54 H54A 109.7 . . ?
O18 C54 H54B 109.7 . . ?
C53 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?
O18 C55 C56 108.9(6) . . ?
O18 C55 H55A 109.9 . . ?
C56 C55 H55A 109.9 . . ?
O18 C55 H55B 109.9 . . ?
C56 C55 H55B 109.9 . . ?
H55A C55 H55B 108.3 . . ?
N6 C56 C55 114.0(5) . . ?
N6 C56 H56A 108.7 . . ?
C55 C56 H56A 108.7 . . ?
N6 C56 H56B 108.7 . . ?
C55 C56 H56B 108.7 . . ?
H56A C56 H56B 107.6 . . ?
H9C N9 H9D 109.5 . . ?
H9C N9 H9E 109.5 . . ?
H9D N9 H9E 109.5 . . ?
H10C N10 H10D 109.5 . . ?
H10C N10 H10E 109.5 . . ?
H10D N10 H10E 109.5 . . ?
H11C N11 H11D 109.5 . . ?
H11C N11 H11E 109.5 . . ?
H11D N11 H11E 109.5 . . ?
H12C N12 H12D 109.5 . . ?
H12C N12 H12E 109.5 . . ?
H12D N12 H12E 109.5 . . ?
H13C N13 H13D 109.5 . . ?
H13C N13 H13E 109.5 . . ?
H13D N13 H13E 109.5 . . ?
H14C N14 H14D 109.5 . . ?
H14C N14 H14E 109.5 . . ?
H14D N14 H14E 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
Ge1 Ge5 2.5590(7) . ?
Ge1 Ge6 2.5717(7) . ?
Ge1 Zn 2.6437(9) . ?
Ge1 Ge4 2.7493(8) . ?
Ge1 Ge2 2.7643(8) . ?
Ge2 Ge7 2.5478(7) . ?
Ge2 Ge6 2.5692(7) . ?
Ge2 Zn 2.6001(8) . ?
Ge2 Ge3 2.7962(8) . ?
Ge3 Ge8 2.5494(7) . ?
Ge3 Ge7 2.5591(7) . ?
Ge3 Zn 2.5921(9) . ?
Ge3 Ge4 2.7868(8) . ?
Ge4 Ge8 2.5590(8) . ?
Ge4 Ge5 2.5742(7) . ?
Ge4 Zn 2.6105(8) . ?
Ge5 Ge9 2.5813(8) . ?
Ge5 Ge6 2.8036(8) . ?
Ge5 Ge8 2.8465(8) . ?
Ge6 Ge9 2.6001(8) . ?
Ge6 Ge7 2.8131(8) . ?
Ge7 Ge9 2.5645(8) . ?
Ge7 Ge8 2.8612(8) . ?
Ge8 Ge9 2.5733(8) . ?
Zn C1 2.015(5) . ?
C1 C2 1.515(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
K1 O1 2.804(4) . ?
K1 O4 2.814(3) . ?
K1 O6 2.834(4) . ?
K1 O3 2.836(4) . ?
K1 O5 2.860(3) . ?
K1 O2 2.920(3) . ?
K1 N2 2.967(5) . ?
K1 N1 2.985(5) . ?
K1 N7 3.273(5) . ?
N1 C15 1.460(6) . ?
N1 C3 1.474(6) . ?
N1 C9 1.478(6) . ?
N2 C8 1.466(6) . ?
N2 C14 1.482(7) . ?
N2 C20 1.483(7) . ?
O1 C5 1.433(6) . ?
O1 C4 1.437(6) . ?
O2 C7 1.420(7) . ?
O2 C6 1.439(6) . ?
O3 C11 1.434(6) . ?
O3 C10 1.437(6) . ?
O4 C12 1.417(6) . ?
O4 C13 1.440(6) . ?
O5 C17 1.424(6) . ?
O5 C16 1.427(7) . ?
O6 C18 1.432(6) . ?
O6 C19 1.434(7) . ?
C3 C4 1.494(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.472(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.517(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.500(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.495(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.508(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.514(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.475(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.493(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
N7 H7C 0.9100 . ?
N7 H7D 0.9100 . ?
N7 H7E 0.9100 . ?
K2 O10 2.783(3) . ?
K2 O11 2.805(4) . ?
K2 O12 2.841(4) . ?
K2 O9 2.842(3) . ?
K2 O7 2.867(3) . ?
K2 O8 2.876(3) . ?
K2 N4 2.994(4) . ?
K2 N3 3.073(4) . ?
K2 H8C 3.0614 . ?
N3 C21 1.472(6) . ?
N3 C27 1.476(6) . ?
N3 C33 1.480(6) . ?
N4 C32 1.469(7) . ?
N4 C38 1.472(6) . ?
N4 C26 1.481(6) . ?
O7 C23 1.427(6) . ?
O7 C22 1.428(6) . ?
O8 C24 1.427(6) . ?
O8 C25 1.441(6) . ?
O9 C29 1.425(6) . ?
O9 C28 1.427(6) . ?
O10 C30 1.425(6) . ?
O10 C31 1.435(6) . ?
O11 C34 1.436(6) . ?
O11 C35 1.438(6) . ?
O12 C37 1.422(6) . ?
O12 C36 1.432(6) . ?
C21 C22 1.513(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.513(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.494(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.509(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.494(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.506(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.497(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.496(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.504(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
N8 H8C 0.9100 . ?
N8 H8D 0.9100 . ?
N8 H8E 0.9100 . ?
K3 O18 2.824(4) . ?
K3 O15 2.824(4) . ?
K3 O16 2.828(4) . ?
K3 O17 2.843(3) . ?
K3 O13 2.844(4) . ?
K3 O14 2.852(3) . ?
K3 N6 2.960(5) . ?
K3 N5 3.005(4) . ?
N5 C45 1.467(7) . ?
N5 C39 1.475(6) . ?
N5 C51 1.475(6) . ?
N6 C44 1.474(7) . ?
N6 C56 1.479(8) . ?
N6 C50 1.487(7) . ?
O13 C40 1.421(7) . ?
O13 C41 1.421(6) . ?
O14 C42 1.417(7) . ?
O14 C43 1.418(7) . ?
O15 C47 1.426(6) . ?
O15 C46 1.433(6) . ?
O16 C49 1.419(6) . ?
O16 C48 1.434(6) . ?
O17 C52 1.430(7) . ?
O17 C53 1.431(7) . ?
O18 C54 1.427(7) . ?
O18 C55 1.446(8) . ?
C39 C40 1.503(7) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.487(8) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.507(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.508(7) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.492(7) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.482(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.499(8) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.474(9) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.502(9) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
N9 H9C 0.9100 . ?
N9 H9D 0.9100 . ?
N9 H9E 0.9100 . ?
N10 H10C 0.9100 . ?
N10 H10D 0.9100 . ?
N10 H10E 0.9100 . ?
N11 H11C 0.9100 . ?
N11 H11D 0.9100 . ?
N11 H11E 0.9100 . ?
N12 H12C 0.9100 . ?
N12 H12D 0.9100 . ?
N12 H12E 0.9100 . ?
N13 H13C 0.9100 . ?
N13 H13D 0.9100 . ?
N13 H13E 0.9100 . ?
N14 H14C 0.9100 . ?
N14 H14D 0.9100 . ?
N14 H14E 0.9100 . ?
