#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:44:19 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252774 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/39/7703990.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_7703990
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
'C24 H24 N2 Zn2, 2(C12 H30 K N2 O6), 4 (H3 N)'
_chemical_formula_sum            'C48 H96 K2 N10 O12 Zn2'
_chemical_formula_weight         1214.28
_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                107.43(4)
_cell_angle_beta                 106.66(4)
_cell_angle_gamma                104.16(3)
_cell_formula_units_Z            1
_cell_length_a                   11.963(5)
_cell_length_b                   12.328(5)
_cell_length_c                   12.683(6)
_cell_measurement_reflns_used    10446
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.939
_cell_measurement_theta_min      2.752
_cell_volume                     1594.0(15)
_computing_cell_refinement
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_collection
; 
 CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_data_reduction
; 
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
;
_computing_molecular_graphics    'DIAMOND 3.2k'
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.0238
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Xcalibur 3'
_diffrn_measurement_method       'ω and π scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.1765
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16857
_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         25.998
_diffrn_reflns_theta_min         2.752
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d 
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Ammonia'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.913
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.768
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.768
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0476P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                3177
_reflns_number_total             6272
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01096k2.cif
_cod_data_source_block           TH223
_cod_depositor_comments
'Adding full bibliography for 7703988--7703995.cif.'
_cod_original_cell_volume        1594.0(12)
_cod_database_code               7703990
_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
K K 0.01071(9) 0.20026(9) 0.79208(9) 0.0454(3) Uani 1 1 d . . . . .
O1 O 0.2051(2) 0.4008(2) 0.8191(3) 0.0335(7) Uani 1 1 d . . . . .
O2 O 0.0096(2) 0.2545(3) 0.5899(3) 0.0386(8) Uani 1 1 d . . . . .
O3 O -0.1521(3) 0.0328(3) 0.5646(3) 0.0467(9) Uani 1 1 d . . . . .
O4 O -0.1945(3) 0.0154(3) 0.7665(3) 0.0491(9) Uani 1 1 d . . . . .
O5 O -0.0088(3) 0.1666(3) 0.9979(3) 0.0663(11) Uani 1 1 d . . . . .
O6 O 0.1596(2) 0.3827(3) 1.0210(3) 0.0413(8) Uani 1 1 d . . . . .
C1 C 0.1822(4) 0.4371(4) 0.7218(4) 0.0387(12) Uani 1 1 d . . . . .
H1A H 0.2612 0.4939 0.7291 0.046 Uiso 1 1 calc R U . . .
H1B H 0.1225 0.4803 0.7231 0.046 Uiso 1 1 calc R U . . .
C2 C 0.1294(4) 0.3284(4) 0.6065(4) 0.0421(12) Uani 1 1 d . . . . .
H2A H 0.1227 0.3547 0.5392 0.050 Uiso 1 1 calc R U . . .
H2B H 0.1855 0.2811 0.6078 0.050 Uiso 1 1 calc R U . . .
C3 C -0.0439(4) 0.1487(5) 0.4822(4) 0.0620(16) Uani 1 1 d . . . . .
H3A H 0.0109 0.1002 0.4831 0.074 Uiso 1 1 calc R U . . .
H3B H -0.0533 0.1719 0.4127 0.074 Uiso 1 1 calc R U . . .
C4 C -0.1687(4) 0.0755(5) 0.4721(5) 0.0658(17) Uani 1 1 d . . . . .
H4A H -0.2208 0.1266 0.4785 0.079 Uiso 1 1 calc R U . . .
H4B H -0.2122 0.0057 0.3931 0.079 Uiso 1 1 calc R U . . .
C5 C -0.2661(4) -0.0452(4) 0.5565(5) 0.0542(15) Uani 1 1 d . . . . .
H5A H -0.3059 -0.1163 0.4785 0.065 Uiso 1 1 calc R U . . .
H5B H -0.3243 -0.0008 0.5617 0.065 Uiso 1 1 calc R U . . .
C6 C -0.2394(5) -0.0868(4) 0.6563(6) 0.0631(17) Uani 1 1 d . . . . .
H6A H -0.3165 -0.1481 0.6471 0.076 Uiso 1 1 calc R U . . .
H6B H -0.1758 -0.1252 0.6552 0.076 Uiso 1 1 calc R U . . .
C7 C -0.1798(6) -0.0168(6) 0.8664(6) 0.107(3) Uani 1 1 d . . . . .
H7A H -0.1202 -0.0601 0.8726 0.129 Uiso 1 1 calc R U . . .
H7B H -0.2612 -0.0720 0.8564 0.129 Uiso 1 1 calc R U . . .
C8 C -0.1322(5) 0.0957(7) 0.9770(5) 0.112(3) Uani 1 1 d . . . . .
H8A H -0.1873 0.1433 0.9676 0.135 Uiso 1 1 calc R U . . .
H8B H -0.1317 0.0740 1.0462 0.135 Uiso 1 1 calc R U . . .
C9 C 0.0439(5) 0.2745(5) 1.1038(5) 0.0618(16) Uani 1 1 d . . . . .
H9A H 0.0490 0.2537 1.1741 0.074 Uiso 1 1 calc R U . . .
H9B H -0.0093 0.3244 1.0987 0.074 Uiso 1 1 calc R U . . .
C10 C 0.1719(4) 0.3449(5) 1.1175(4) 0.0507(13) Uani 1 1 d . . . . .
H10A H 0.2135 0.4169 1.1949 0.061 Uiso 1 1 calc R U . . .
H10B H 0.2235 0.2931 1.1164 0.061 Uiso 1 1 calc R U . . .
C11 C 0.2762(4) 0.4568(4) 1.0298(4) 0.0452(13) Uani 1 1 d . . . . .
H11A H 0.3314 0.4090 1.0239 0.054 Uiso 1 1 calc R U . . .
H11B H 0.3179 0.5272 1.1083 0.054 Uiso 1 1 calc R U . . .
C12 C 0.2544(4) 0.5004(4) 0.9316(4) 0.0427(12) Uani 1 1 d . . . . .
H12A H 0.1949 0.5436 0.9347 0.051 Uiso 1 1 calc R U . . .
H12B H 0.3341 0.5585 0.9418 0.051 Uiso 1 1 calc R U . . .
N2 N 0.1946(4) 0.0819(4) 0.8349(3) 0.0602(12) Uani 1 1 d . . . . .
H2C H 0.2307 0.1007 0.9148 0.090 Uiso 1 1 calc R U . . .
H2D H 0.2545 0.1086 0.8081 0.090 Uiso 1 1 calc R U . . .
H2E H 0.1555 -0.0004 0.7949 0.090 Uiso 1 1 calc R U . . .
N3 N -0.1029(3) 0.3781(4) 0.8243(4) 0.0717(14) Uani 1 1 d . . . . .
H3C H -0.0685 0.4304 0.9028 0.107 Uiso 1 1 calc R U . . .
H3D H -0.1866 0.3405 0.8021 0.107 Uiso 1 1 calc R U . . .
H3E H -0.0902 0.4203 0.7783 0.107 Uiso 1 1 calc R U . . .
Zn Zn 0.52347(4) 0.38583(4) 0.49345(5) 0.02552(15) Uani 1 1 d . . . . .
N1 N 0.3658(3) 0.4364(3) 0.4515(4) 0.0266(9) Uani 1 1 d . . . . .
H1C H 0.335(3) 0.417(3) 0.492(3) 0.004(11) Uiso 1 1 d . . . . .
H1D H 0.328(3) 0.393(3) 0.379(3) 0.016(11) Uiso 1 1 d . . . . .
C13 C 0.5228(3) 0.2831(3) 0.3331(4) 0.0280(10) Uani 1 1 d . . . . .
C14 C 0.4985(3) 0.3190(4) 0.2367(4) 0.0297(10) Uani 1 1 d . . . . .
H14 H 0.4868 0.3948 0.2503 0.036 Uiso 1 1 calc R U . . .
C15 C 0.4901(4) 0.2535(4) 0.1240(4) 0.0423(12) Uani 1 1 d . . . . .
H15 H 0.4712 0.2828 0.0623 0.051 Uiso 1 1 calc R U . . .
C16 C 0.5093(7) 0.1456(5) 0.1024(5) 0.084(2) Uani 1 1 d . . . . .
H16 H 0.5064 0.0996 0.0261 0.101 Uiso 1 1 calc R U . . .
C17 C 0.5329(7) 0.1048(5) 0.1935(5) 0.093(2) Uani 1 1 d . . . . .
H17 H 0.5444 0.0289 0.1785 0.112 Uiso 1 1 calc R U . . .
C18 C 0.5404(5) 0.1715(4) 0.3058(4) 0.0518(14) Uani 1 1 d . . . . .
H18 H 0.5580 0.1407 0.3665 0.062 Uiso 1 1 calc R U . . .
C19 C 0.5267(3) 0.3196(3) 0.6227(4) 0.0267(10) Uani 1 1 d . . . . .
C20 C 0.5855(4) 0.2386(4) 0.6450(4) 0.0282(10) Uani 1 1 d . . . . .
H20 H 0.6344 0.2177 0.6005 0.034 Uiso 1 1 calc R U . . .
C21 C 0.5778(4) 0.1871(4) 0.7266(4) 0.0372(11) Uani 1 1 d . . . . .
H21 H 0.6203 0.1328 0.7365 0.045 Uiso 1 1 calc R U . . .
C22 C 0.5081(4) 0.2148(4) 0.7940(4) 0.0358(11) Uani 1 1 d . . . . .
H22 H 0.5025 0.1802 0.8508 0.043 Uiso 1 1 calc R U . . .
C23 C 0.4466(4) 0.2939(4) 0.7771(4) 0.0305(10) Uani 1 1 d . . . . .
H23 H 0.3977 0.3137 0.8219 0.037 Uiso 1 1 calc R U . . .
C24 C 0.4569(3) 0.3434(3) 0.6947(4) 0.0266(10) Uani 1 1 d . . . . .
H24 H 0.4140 0.3976 0.6855 0.032 Uiso 1 1 calc R U . . .
N4 N 0.1212(4) 0.5403(4) 0.4299(5) 0.104(2) Uani 1 1 d . . . . .
H4C H 0.1023 0.6045 0.4244 0.156 Uiso 1 1 d R U . . .
H4D H 0.1024 0.5238 0.4881 0.156 Uiso 1 1 d R U . . .
H4E H 0.0772 0.4763 0.3601 0.156 Uiso 1 1 d R U . . .
N5 N 0.1582(6) 0.7456(6) 0.7354(7) 0.149(3) Uani 1 1 d . . . . .
H5C H 0.1825 0.7131 0.7882 0.224 Uiso 1 1 d R U . . .
H5D H 0.2155 0.8186 0.7586 0.224 Uiso 1 1 d R U . . .
H5E H 0.0850 0.7532 0.7320 0.224 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'
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 O4 60.97(11) . . ?
O3 K O6 174.33(10) . . ?
O4 K O6 118.38(11) . . ?
O3 K O1 119.47(11) . . ?
O4 K O1 174.78(9) . . ?
O6 K O1 60.59(10) . . ?
O3 K O5 120.97(11) . . ?
O4 K O5 60.58(11) . . ?
O6 K O5 59.59(10) . . ?
O1 K O5 119.50(11) . . ?
O3 K O2 60.06(10) . . ?
O4 K O2 118.56(11) . . ?
O6 K O2 118.50(10) . . ?
O1 K O2 60.52(10) . . ?
O5 K O2 171.96(11) . . ?
O3 K N3 100.64(11) . . ?
O4 K N3 94.23(12) . . ?
O6 K N3 73.71(11) . . ?
O1 K N3 80.56(11) . . ?
O5 K N3 91.12(13) . . ?
O2 K N3 80.93(12) . . ?
O3 K N2 98.70(11) . . ?
O4 K N2 97.65(11) . . ?
O6 K N2 86.97(11) . . ?
O1 K N2 87.46(11) . . ?
O5 K N2 81.36(12) . . ?
O2 K N2 106.55(10) . . ?
N3 K N2 160.45(12) . . ?
C1 O1 C12 112.7(3) . . ?
C1 O1 K 115.0(2) . . ?
C12 O1 K 114.5(2) . . ?
C3 O2 C2 111.6(3) . . ?
C3 O2 K 112.5(3) . . ?
C2 O2 K 112.5(2) . . ?
C4 O3 C5 112.7(4) . . ?
C4 O3 K 116.7(3) . . ?
C5 O3 K 115.9(3) . . ?
C7 O4 C6 113.0(4) . . ?
C7 O4 K 115.0(3) . . ?
C6 O4 K 112.1(3) . . ?
C9 O5 C8 112.2(5) . . ?
C9 O5 K 115.0(3) . . ?
C8 O5 K 112.8(3) . . ?
C10 O6 C11 112.5(3) . . ?
C10 O6 K 115.8(3) . . ?
C11 O6 K 113.9(3) . . ?
O1 C1 C2 110.0(4) . . ?
O1 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
O1 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
O2 C2 C1 109.4(3) . . ?
O2 C2 H2A 109.8 . . ?
C1 C2 H2A 109.8 . . ?
O2 C2 H2B 109.8 . . ?
C1 C2 H2B 109.8 . . ?
H2A C2 H2B 108.2 . . ?
O2 C3 C4 108.3(4) . . ?
O2 C3 H3A 110.0 . . ?
C4 C3 H3A 110.0 . . ?
O2 C3 H3B 110.0 . . ?
C4 C3 H3B 110.0 . . ?
H3A C3 H3B 108.4 . . ?
O3 C4 C3 109.1(4) . . ?
O3 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
O3 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
O3 C5 C6 109.0(4) . . ?
O3 C5 H5A 109.9 . . ?
C6 C5 H5A 109.9 . . ?
O3 C5 H5B 109.9 . . ?
C6 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
O4 C6 C5 108.7(4) . . ?
O4 C6 H6A 109.9 . . ?
C5 C6 H6A 109.9 . . ?
O4 C6 H6B 109.9 . . ?
C5 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
O4 C7 C8 109.0(5) . . ?
O4 C7 H7A 109.9 . . ?
C8 C7 H7A 109.9 . . ?
O4 C7 H7B 109.9 . . ?
C8 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
O5 C8 C7 109.0(6) . . ?
O5 C8 H8A 109.9 . . ?
C7 C8 H8A 109.9 . . ?
O5 C8 H8B 109.9 . . ?
C7 C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
O5 C9 C10 108.8(4) . . ?
O5 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
O5 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
O6 C10 C9 108.1(4) . . ?
O6 C10 H10A 110.1 . . ?
C9 C10 H10A 110.1 . . ?
O6 C10 H10B 110.1 . . ?
C9 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
O6 C11 C12 109.2(4) . . ?
O6 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
O6 C11 H11B 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
O1 C12 C11 110.2(4) . . ?
O1 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
O1 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
K N2 H2C 109.5 . . ?
K N2 H2D 109.5 . . ?
H2C N2 H2D 109.5 . . ?
K N2 H2E 109.5 . . ?
H2C N2 H2E 109.5 . . ?
H2D N2 H2E 109.5 . . ?
K N3 H3C 109.5 . . ?
K N3 H3D 109.5 . . ?
H3C N3 H3D 109.5 . . ?
K N3 H3E 109.5 . . ?
H3C N3 H3E 109.5 . . ?
H3D N3 H3E 109.5 . . ?
C19 Zn N1 116.97(17) . 2_666 ?
C19 Zn C13 120.96(16) . . ?
N1 Zn C13 109.82(17) 2_666 . ?
C19 Zn N1 108.79(17) . . ?
N1 Zn N1 88.64(15) 2_666 . ?
C13 Zn N1 106.18(17) . . ?
C19 Zn Zn 122.73(11) . 2_666 ?
N1 Zn Zn 45.13(10) 2_666 2_666 ?
C13 Zn Zn 115.53(12) . 2_666 ?
N1 Zn Zn 43.51(11) . 2_666 ?
Zn N1 Zn 91.36(15) 2_666 . ?
Zn N1 H1C 120(3) 2_666 . ?
Zn N1 H1C 101(3) . . ?
Zn N1 H1D 120(3) 2_666 . ?
Zn N1 H1D 101(2) . . ?
H1C N1 H1D 115(4) . . ?
C18 C13 C14 113.6(4) . . ?
C18 C13 Zn 125.5(3) . . ?
C14 C13 Zn 120.9(3) . . ?
C15 C14 C13 125.3(4) . . ?
C15 C14 H14 117.4 . . ?
C13 C14 H14 117.4 . . ?
C16 C15 C14 118.9(5) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
C15 C16 C17 118.7(5) . . ?
C15 C16 H16 120.7 . . ?
C17 C16 H16 120.7 . . ?
C16 C17 C18 121.6(5) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C13 122.0(4) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C20 C19 C24 112.0(4) . . ?
C20 C19 Zn 126.0(3) . . ?
C24 C19 Zn 121.7(3) . . ?
C21 C20 C19 125.0(4) . . ?
C21 C20 H20 117.5 . . ?
C19 C20 H20 117.5 . . ?
C20 C21 C22 119.9(4) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C23 118.8(4) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C24 C23 C22 119.5(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C19 124.9(4) . . ?
C23 C24 H24 117.6 . . ?
C19 C24 H24 117.6 . . ?
H4C N4 H4D 109.5 . . ?
H4C N4 H4E 109.1 . . ?
H4D N4 H4E 109.7 . . ?
H5C N5 H5D 109.3 . . ?
H5C N5 H5E 109.5 . . ?
H5D N5 H5E 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 2.761(4) . ?
K O4 2.773(3) . ?
K O6 2.797(4) . ?
K O1 2.803(3) . ?
K O5 2.827(4) . ?
K O2 2.834(3) . ?
K N3 2.839(4) . ?
K N2 2.937(4) . ?
O1 C1 1.414(5) . ?
O1 C12 1.416(5) . ?
O2 C3 1.414(5) . ?
O2 C2 1.414(5) . ?
O3 C4 1.407(6) . ?
O3 C5 1.419(5) . ?
O4 C7 1.415(6) . ?
O4 C6 1.419(6) . ?
O5 C9 1.416(6) . ?
O5 C8 1.420(6) . ?
O6 C10 1.417(5) . ?
O6 C11 1.421(5) . ?
C1 C2 1.489(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.491(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.486(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.486(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.495(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.480(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
N2 H2C 0.9100 . ?
N2 H2D 0.9100 . ?
N2 H2E 0.9100 . ?
N3 H3C 0.9100 . ?
N3 H3D 0.9100 . ?
N3 H3E 0.9100 . ?
Zn C19 2.034(4) . ?
Zn N1 2.045(4) 2_666 ?
Zn C13 2.046(4) . ?
Zn N1 2.104(4) . ?
Zn Zn 2.9686(15) 2_666 ?
N1 Zn 2.045(4) 2_666 ?
N1 H1C 0.78(3) . ?
N1 H1D 0.83(4) . ?
C13 C18 1.398(6) . ?
C13 C14 1.399(5) . ?
C14 C15 1.376(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.365(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(6) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.404(5) . ?
C19 C24 1.419(5) . ?
C20 C21 1.380(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
N4 H4C 0.8913 . ?
N4 H4D 0.8941 . ?
N4 H4E 0.8913 . ?
N5 H5C 0.8943 . ?
N5 H5D 0.8894 . ?
N5 H5E 0.8931 . ?
