#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:46:53 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178667 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/78/4077869.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_4077869
loop_
_publ_author_name
'Gao, Jing'
'Li, Shaoguang'
'Zhao, Yanxia'
'Wu, Biao'
'Yang, Xiao-Juan'
_publ_section_title
;
 Reactions of α-Diimine-Stabilized Zn--Zn-Bonded Compounds with
 Phenylacetylene
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2978
_journal_paper_doi               10.1021/om200868j
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C112 H192 K2 N4 O24 Zn2'
_chemical_formula_weight         2187.64
_chemical_name_systematic
; 
 ? 
;
_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                100.071(4)
_cell_angle_beta                 100.134(4)
_cell_angle_gamma                101.400(4)
_cell_formula_units_Z            1
_cell_length_a                   13.277(3)
_cell_length_b                   14.628(3)
_cell_length_c                   16.393(3)
_cell_measurement_temperature    123(2)
_cell_volume                     2998.9(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0435
_diffrn_reflns_av_sigmaI/netI    0.1069
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14750
_diffrn_reflns_theta_full        24.93
_diffrn_reflns_theta_max         24.93
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.8776
_exptl_absorpt_correction_T_min  0.8345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1182
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.169
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         10359
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1232
_refine_ls_R_factor_gt           0.0696
_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)+(0.1238P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.2209
_reflns_number_gt                6477
_reflns_number_total             10359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200868j_si_002.cif
_cod_data_source_block           2b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4077869
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
Zn1 Zn 0.01742(4) 0.92055(4) 0.49621(3) 0.01995(19) Uani 1 1 d .
K1 K 0.74522(9) 0.68408(8) 0.80312(7) 0.0285(3) Uani 1 1 d .
O1 O 0.8439(4) 0.5753(3) 0.6932(3) 0.0478(11) Uani 1 1 d .
O2 O 0.6306(4) 0.5712(3) 0.6324(3) 0.0483(11) Uani 1 1 d .
O3 O 0.5317(3) 0.6979(3) 0.7225(3) 0.0430(10) Uani 1 1 d .
O4 O 0.7112(3) 0.8564(3) 0.7643(3) 0.0415(10) Uani 1 1 d .
O5 O 0.8808(3) 0.7809(3) 0.7139(2) 0.0433(11) Uani 1 1 d .
O6 O 0.6284(5) 0.7168(4) 0.9303(3) 0.0743(16) Uani 1 1 d .
O7 O 0.8292(5) 0.8483(4) 0.9396(3) 0.0731(16) Uani 1 1 d .
O8 O 0.9603(4) 0.7177(5) 0.9075(3) 0.0800(19) Uani 1 1 d .
O9 O 0.8138(6) 0.5469(5) 0.9094(4) 0.0823(18) Uani 1 1 d .
O10 O 0.6044(5) 0.5259(4) 0.8366(3) 0.0831(18) Uani 1 1 d .
O11 O 0.7355(5) 0.3662(4) 0.0630(3) 0.0860(19) Uani 1 1 d .
O12 O 0.4670(4) 0.8784(4) 0.0676(3) 0.0611(13) Uani 1 1 d .
N1 N -0.0509(3) 0.7862(3) 0.4337(2) 0.0200(9) Uani 1 1 d .
N2 N 0.1252(3) 0.8566(3) 0.5510(3) 0.0238(10) Uani 1 1 d .
C1 C 0.0061(4) 0.7205(4) 0.4600(3) 0.0218(11) Uani 1 1 d .
C2 C 0.0971(4) 0.7573(4) 0.5208(3) 0.0213(11) Uani 1 1 d .
C3 C -0.0462(4) 0.6151(4) 0.4313(4) 0.0319(13) Uani 1 1 d .
H3A H -0.0002 0.5781 0.4570 0.048 Uiso 1 1 calc R
H3B H -0.0587 0.5963 0.3694 0.048 Uiso 1 1 calc R
H3C H -0.1134 0.6025 0.4491 0.048 Uiso 1 1 calc R
C4 C 0.1631(4) 0.6980(4) 0.5627(3) 0.0271(12) Uani 1 1 d .
H4A H 0.2332 0.7112 0.5499 0.041 Uiso 1 1 calc R
H4B H 0.1291 0.6300 0.5411 0.041 Uiso 1 1 calc R
H4C H 0.1696 0.7143 0.6243 0.041 Uiso 1 1 calc R
C5 C -0.1256(4) 0.7557(3) 0.3544(3) 0.0214(11) Uani 1 1 d .
C6 C -0.2349(4) 0.7443(4) 0.3548(3) 0.0255(12) Uani 1 1 d .
C7 C -0.3085(4) 0.7147(4) 0.2768(3) 0.0279(12) Uani 1 1 d .
H7 H -0.3809 0.7110 0.2762 0.034 Uiso 1 1 calc R
C8 C -0.2783(4) 0.6913(4) 0.2024(3) 0.0349(14) Uani 1 1 d .
H8 H -0.3296 0.6678 0.1508 0.042 Uiso 1 1 calc R
C9 C -0.1727(4) 0.7019(4) 0.2022(3) 0.0330(13) Uani 1 1 d .
H9 H -0.1523 0.6876 0.1495 0.040 Uiso 1 1 calc R
C10 C -0.0953(4) 0.7329(4) 0.2764(3) 0.0231(11) Uani 1 1 d .
C11 C -0.2704(4) 0.7635(4) 0.4378(3) 0.0283(12) Uani 1 1 d .
H11 H -0.2068 0.7753 0.4846 0.034 Uiso 1 1 calc R
C12 C -0.3135(5) 0.8526(5) 0.4489(4) 0.0474(17) Uani 1 1 d .
H12A H -0.3751 0.8444 0.4031 0.071 Uiso 1 1 calc R
H12B H -0.2592 0.9079 0.4472 0.071 Uiso 1 1 calc R
H12C H -0.3342 0.8629 0.5037 0.071 Uiso 1 1 calc R
C13 C -0.3501(5) 0.6765(5) 0.4478(4) 0.0497(17) Uani 1 1 d .
H13A H -0.3647 0.6887 0.5048 0.075 Uiso 1 1 calc R
H13B H -0.3207 0.6200 0.4399 0.075 Uiso 1 1 calc R
H13C H -0.4156 0.6654 0.4052 0.075 Uiso 1 1 calc R
C14 C 0.0213(4) 0.7511(4) 0.2735(3) 0.0323(13) Uani 1 1 d .
H14 H 0.0630 0.7757 0.3332 0.039 Uiso 1 1 calc R
C15 C 0.0502(5) 0.8256(5) 0.2243(4) 0.0436(16) Uani 1 1 d .
H15A H 0.1252 0.8354 0.2235 0.065 Uiso 1 1 calc R
H15B H 0.0361 0.8857 0.2511 0.065 Uiso 1 1 calc R
H15C H 0.0082 0.8045 0.1660 0.065 Uiso 1 1 calc R
C16 C 0.0531(6) 0.6599(5) 0.2369(5) 0.066(2) Uani 1 1 d .
H16A H 0.0221 0.6075 0.2615 0.099 Uiso 1 1 calc R
H16B H 0.1300 0.6707 0.2507 0.099 Uiso 1 1 calc R
H16C H 0.0277 0.6431 0.1751 0.099 Uiso 1 1 calc R
C17 C 0.2323(4) 0.9003(3) 0.5902(3) 0.0211(11) Uani 1 1 d .
C18 C 0.2593(4) 0.9531(4) 0.6752(3) 0.0248(11) Uani 1 1 d .
C19 C 0.3625(4) 1.0035(4) 0.7114(3) 0.0272(12) Uani 1 1 d .
H19 H 0.3790 1.0402 0.7679 0.033 Uiso 1 1 calc R
C20 C 0.4411(4) 1.0012(4) 0.6669(3) 0.0307(13) Uani 1 1 d .
H20 H 0.5111 1.0368 0.6921 0.037 Uiso 1 1 calc R
C21 C 0.4169(4) 0.9466(4) 0.5852(3) 0.0307(13) Uani 1 1 d .
H21 H 0.4713 0.9434 0.5549 0.037 Uiso 1 1 calc R
C22 C 0.3137(4) 0.8958(4) 0.5461(3) 0.0244(11) Uani 1 1 d .
C23 C 0.1752(5) 0.9527(4) 0.7277(4) 0.0396(15) Uani 1 1 d .
H23 H 0.1055 0.9188 0.6895 0.048 Uiso 1 1 calc R
C24 C 0.1683(6) 1.0510(6) 0.7672(5) 0.071(2) Uani 1 1 d .
H24A H 0.2386 1.0941 0.7820 0.106 Uiso 1 1 calc R
H24B H 0.1406 1.0490 0.8187 0.106 Uiso 1 1 calc R
H24C H 0.1213 1.0742 0.7269 0.106 Uiso 1 1 calc R
C25 C 0.1961(7) 0.9000(7) 0.7976(6) 0.093(3) Uani 1 1 d U
H25A H 0.1914 0.8329 0.7728 0.139 Uiso 1 1 calc R
H25B H 0.1437 0.9039 0.8326 0.139 Uiso 1 1 calc R
H25C H 0.2667 0.9290 0.8329 0.139 Uiso 1 1 calc R
C26 C 0.2900(4) 0.8455(4) 0.4515(3) 0.0256(12) Uani 1 1 d .
H26 H 0.2202 0.7988 0.4386 0.031 Uiso 1 1 calc R
C27 C 0.2807(4) 0.9190(4) 0.3947(3) 0.0349(13) Uani 1 1 d .
H27A H 0.2205 0.9465 0.4024 0.052 Uiso 1 1 calc R
H27B H 0.2703 0.8870 0.3351 0.052 Uiso 1 1 calc R
H27C H 0.3453 0.9700 0.4107 0.052 Uiso 1 1 calc R
C28 C 0.3711(5) 0.7903(5) 0.4290(4) 0.0467(16) Uani 1 1 d .
H28A H 0.3478 0.7548 0.3698 0.070 Uiso 1 1 calc R
H28B H 0.3785 0.7455 0.4664 0.070 Uiso 1 1 calc R
H28C H 0.4391 0.8351 0.4362 0.070 Uiso 1 1 calc R
C29 C 0.7818(6) 0.5135(5) 0.6156(4) 0.058(2) Uani 1 1 d .
H29A H 0.8087 0.4551 0.6039 0.070 Uiso 1 1 calc R
H29B H 0.7871 0.5462 0.5680 0.070 Uiso 1 1 calc R
C30 C 0.6692(6) 0.4868(5) 0.6224(4) 0.0569(19) Uani 1 1 d .
H30A H 0.6269 0.4402 0.5705 0.068 Uiso 1 1 calc R
H30B H 0.6639 0.4571 0.6717 0.068 Uiso 1 1 calc R
C31 C 0.5209(5) 0.5518(5) 0.6292(4) 0.0513(18) Uani 1 1 d .
H31A H 0.5052 0.5198 0.6755 0.062 Uiso 1 1 calc R
H31B H 0.4823 0.5087 0.5744 0.062 Uiso 1 1 calc R
C32 C 0.4864(5) 0.6438(5) 0.6386(4) 0.0515(18) Uani 1 1 d .
H32A H 0.5099 0.6799 0.5969 0.062 Uiso 1 1 calc R
H32B H 0.4086 0.6309 0.6283 0.062 Uiso 1 1 calc R
C33 C 0.5276(5) 0.7965(5) 0.7312(5) 0.0497(17) Uani 1 1 d .
H33A H 0.5289 0.8238 0.7911 0.060 Uiso 1 1 calc R
H33B H 0.4606 0.8005 0.6961 0.060 Uiso 1 1 calc R
C34 C 0.6178(4) 0.8543(5) 0.7046(4) 0.0434(15) Uani 1 1 d .
H34A H 0.6219 0.8246 0.6466 0.052 Uiso 1 1 calc R
H34B H 0.6086 0.9199 0.7052 0.052 Uiso 1 1 calc R
C35 C 0.8041(5) 0.9128(5) 0.7492(4) 0.0500(17) Uani 1 1 d .
H35A H 0.8583 0.9341 0.8028 0.060 Uiso 1 1 calc R
H35B H 0.7877 0.9704 0.7313 0.060 Uiso 1 1 calc R
C36 C 0.8469(6) 0.8602(4) 0.6834(4) 0.0480(17) Uani 1 1 d .
H36A H 0.7923 0.8356 0.6303 0.058 Uiso 1 1 calc R
H36B H 0.9074 0.9034 0.6715 0.058 Uiso 1 1 calc R
C37 C 0.9151(5) 0.7228(5) 0.6497(4) 0.0464(17) Uani 1 1 d .
H37A H 0.9799 0.7592 0.6376 0.056 Uiso 1 1 calc R
H37B H 0.8599 0.7026 0.5966 0.056 Uiso 1 1 calc R
C38 C 0.9362(5) 0.6371(5) 0.6816(4) 0.0552(19) Uani 1 1 d .
H38A H 0.9682 0.6002 0.6409 0.066 Uiso 1 1 calc R
H38B H 0.9880 0.6589 0.7365 0.066 Uiso 1 1 calc R
C39 C 0.6781(6) 0.7943(6) 1.0009(4) 0.065(2) Uani 1 1 d .
H39A H 0.6241 0.8184 1.0273 0.078 Uiso 1 1 calc R
H39B H 0.7239 0.7724 1.0442 0.078 Uiso 1 1 calc R
C40 C 0.7386(7) 0.8678(6) 0.9727(5) 0.068(2) Uani 1 1 d .
H40A H 0.7642 0.9241 1.0206 0.081 Uiso 1 1 calc R
H40B H 0.6914 0.8859 0.9276 0.081 Uiso 1 1 calc R
C41 C 0.9132(6) 0.8529(6) 0.9985(5) 0.069(2) Uani 1 1 d .
H41A H 0.8944 0.8120 1.0382 0.083 Uiso 1 1 calc R
H41B H 0.9422 0.9195 1.0313 0.083 Uiso 1 1 calc R
C42 C 0.9922(7) 0.8190(7) 0.9540(5) 0.077(3) Uani 1 1 d .
H42A H 1.0074 0.8597 0.9132 0.093 Uiso 1 1 calc R
H42B H 1.0584 0.8282 0.9964 0.093 Uiso 1 1 calc R
C43 C 0.9823(7) 0.6565(8) 0.9578(5) 0.089(3) Uani 1 1 d .
H43A H 0.9604 0.6729 1.0121 0.107 Uiso 1 1 calc R
H43B H 1.0587 0.6595 0.9702 0.107 Uiso 1 1 calc R
C44 C 0.9205(8) 0.5567(7) 0.9084(5) 0.099(4) Uani 1 1 d .
H44A H 0.9296 0.5472 0.8491 0.119 Uiso 1 1 calc R
H44B H 0.9475 0.5078 0.9346 0.119 Uiso 1 1 calc R
C45 C 0.7527(8) 0.4596(7) 0.8649(7) 0.096(3) Uani 1 1 d .
H45A H 0.7783 0.4076 0.8869 0.115 Uiso 1 1 calc R
H45B H 0.7546 0.4512 0.8039 0.115 Uiso 1 1 calc R
C46 C 0.6367(9) 0.4583(6) 0.8775(6) 0.098(3) Uani 1 1 d .
H46A H 0.5896 0.3943 0.8523 0.118 Uiso 1 1 calc R
H46B H 0.6362 0.4747 0.9386 0.118 Uiso 1 1 calc R
C47 C 0.5283(7) 0.5614(7) 0.8712(6) 0.085(3) Uani 1 1 d .
H47A H 0.4807 0.5078 0.8849 0.102 Uiso 1 1 calc R
H47B H 0.4858 0.5851 0.8272 0.102 Uiso 1 1 calc R
C48 C 0.5654(6) 0.6373(8) 0.9466(5) 0.093(4) Uani 1 1 d .
H48A H 0.5044 0.6552 0.9666 0.112 Uiso 1 1 calc R
H48B H 0.6062 0.6143 0.9921 0.112 Uiso 1 1 calc R
C49 C 0.7760(7) 0.4557(6) 0.1160(5) 0.076(2) Uani 1 1 d .
H49A H 0.7285 0.4983 0.1039 0.091 Uiso 1 1 calc R
H49B H 0.8457 0.4843 0.1062 0.091 Uiso 1 1 calc R
C50 C 0.7861(8) 0.4463(7) 0.2028(6) 0.104(4) Uani 1 1 d .
H50A H 0.7566 0.4941 0.2354 0.125 Uiso 1 1 calc R
H50B H 0.8609 0.4548 0.2305 0.125 Uiso 1 1 calc R
C51 C 0.7240(8) 0.3458(7) 0.1974(5) 0.081(3) Uani 1 1 d .
H51A H 0.7567 0.3173 0.2428 0.097 Uiso 1 1 calc R
H51B H 0.6503 0.3448 0.2012 0.097 Uiso 1 1 calc R
C52 C 0.7299(9) 0.2956(6) 0.1133(5) 0.083(3) Uani 1 1 d .
H52A H 0.7931 0.2690 0.1169 0.100 Uiso 1 1 calc R
H52B H 0.6666 0.2428 0.0886 0.100 Uiso 1 1 calc R
C53 C 0.4167(6) 0.9541(5) 0.0798(5) 0.063(2) Uani 1 1 d .
H53A H 0.4133 0.9846 0.0303 0.076 Uiso 1 1 calc R
H53B H 0.4564 1.0030 0.1311 0.076 Uiso 1 1 calc R
C54 C 0.3088(6) 0.9145(6) 0.0899(6) 0.079(3) Uani 1 1 d .
H54A H 0.2578 0.8955 0.0346 0.095 Uiso 1 1 calc R
H54B H 0.2853 0.9612 0.1292 0.095 Uiso 1 1 calc R
C55 C 0.3216(6) 0.8262(6) 0.1276(5) 0.066(2) Uani 1 1 d .
H55A H 0.3228 0.8396 0.1891 0.079 Uiso 1 1 calc R
H55B H 0.2631 0.7702 0.0988 0.079 Uiso 1 1 calc R
C56 C 0.4260(5) 0.8081(5) 0.1118(4) 0.0504(17) Uani 1 1 d .
H56A H 0.4755 0.8141 0.1663 0.060 Uiso 1 1 calc R
H56B H 0.4156 0.7430 0.0771 0.060 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'
K K 0.2009 0.2494 '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'
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_3
N1 Zn1 N2 82.20(16) .
N1 Zn1 Zn1 138.18(12) 2_576
N2 Zn1 Zn1 139.59(12) 2_576
O4 K1 O5 61.41(12) .
O4 K1 O6 86.25(14) .
O5 K1 O6 142.15(15) .
O4 K1 O1 116.95(13) .
O5 K1 O1 61.27(13) .
O6 K1 O1 155.98(15) .
O4 K1 O7 65.21(13) .
O5 K1 O7 85.70(14) .
O6 K1 O7 61.71(17) .
O1 K1 O7 131.79(16) .
O4 K1 O10 130.91(17) .
O5 K1 O10 156.85(16) .
O6 K1 O10 60.31(18) .
O1 K1 O10 97.30(17) .
O7 K1 O10 116.85(16) .
O4 K1 O8 109.42(16) .
O5 K1 O8 74.38(13) .
O6 K1 O8 101.32(16) .
O1 K1 O8 77.78(15) .
O7 K1 O8 59.05(18) .
O10 K1 O8 111.55(17) .
O4 K1 O2 92.95(12) .
O5 K1 O2 84.57(12) .
O6 K1 O2 118.39(16) .
O1 K1 O2 57.90(13) .
O7 K1 O2 158.12(14) .
O10 K1 O2 75.85(14) .
O8 K1 O2 135.66(15) .
O4 K1 O3 59.38(12) .
O5 K1 O3 104.41(12) .
O6 K1 O3 70.71(14) .
O1 K1 O3 114.37(12) .
O7 K1 O3 106.92(15) .
O10 K1 O3 75.25(15) .
O8 K1 O3 165.86(16) .
O2 K1 O3 57.10(12) .
O4 K1 O9 158.67(15) .
O5 K1 O9 121.84(16) .
O6 K1 O9 81.44(15) .
O1 K1 O9 78.12(14) .
O7 K1 O9 93.56(16) .
O10 K1 O9 55.52(18) .
O8 K1 O9 56.77(19) .
O2 K1 O9 108.21(16) .
O3 K1 O9 130.66(16) .
O4 K1 C40 62.32(15) .
O5 K1 C40 102.99(17) .
O6 K1 C40 40.62(19) .
O1 K1 C40 155.23(17) .
O7 K1 C40 23.47(18) .
O10 K1 C40 100.1(2) .
O8 K1 C40 79.51(18) .
O2 K1 C40 144.09(16) .
O3 K1 C40 87.17(15) .
O9 K1 C40 97.50(16) .
C29 O1 C38 113.0(5) .
C29 O1 K1 119.6(4) .
C38 O1 K1 108.8(3) .
C31 O2 C30 112.5(5) .
C31 O2 K1 109.2(4) .
C30 O2 K1 104.8(4) .
C32 O3 C33 112.2(5) .
C32 O3 K1 118.0(3) .
C33 O3 K1 109.9(4) .
C35 O4 C34 113.2(4) .
C35 O4 K1 111.3(3) .
C34 O4 K1 118.8(4) .
C37 O5 C36 111.1(4) .
C37 O5 K1 116.7(3) .
C36 O5 K1 114.9(3) .
C48 O6 C39 117.1(6) .
C48 O6 K1 117.2(5) .
C39 O6 K1 116.1(5) .
C41 O7 C40 114.6(6) .
C41 O7 K1 121.2(5) .
C40 O7 K1 105.1(5) .
C43 O8 C42 112.8(7) .
C43 O8 K1 119.4(5) .
C42 O8 K1 107.9(5) .
C45 O9 C44 112.9(7) .
C45 O9 K1 103.2(5) .
C44 O9 K1 104.0(5) .
C46 O10 C47 111.3(7) .
C46 O10 K1 124.2(6) .
C47 O10 K1 107.5(5) .
C49 O11 C52 109.0(6) .
C53 O12 C56 108.8(5) .
C1 N1 C5 117.8(4) .
C1 N1 Zn1 112.1(3) .
C5 N1 Zn1 127.3(3) .
C2 N2 C17 118.1(4) .
C2 N2 Zn1 111.7(3) .
C17 N2 Zn1 126.6(3) .
C2 C1 N1 117.0(4) .
C2 C1 C3 124.1(5) .
N1 C1 C3 118.0(4) .
C1 C2 N2 117.0(4) .
C1 C2 C4 124.6(5) .
N2 C2 C4 118.2(4) .
C1 C3 H3A 109.5 .
C1 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C1 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C2 C4 H4A 109.5 .
C2 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C2 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C10 C5 C6 119.2(4) .
C10 C5 N1 122.2(4) .
C6 C5 N1 118.6(4) .
C7 C6 C5 118.7(5) .
C7 C6 C11 120.8(5) .
C5 C6 C11 120.5(4) .
C8 C7 C6 121.4(5) .
C8 C7 H7 119.3 .
C6 C7 H7 119.3 .
C7 C8 C9 119.8(5) .
C7 C8 H8 120.1 .
C9 C8 H8 120.1 .
C8 C9 C10 122.0(5) .
C8 C9 H9 119.0 .
C10 C9 H9 119.0 .
C9 C10 C5 118.9(5) .
C9 C10 C14 120.7(5) .
C5 C10 C14 120.2(4) .
C6 C11 C12 112.3(4) .
C6 C11 C13 111.8(5) .
C12 C11 C13 111.1(5) .
C6 C11 H11 107.1 .
C12 C11 H11 107.1 .
C13 C11 H11 107.1 .
C11 C12 H12A 109.5 .
C11 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C11 C13 H13A 109.5 .
C11 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C11 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C15 C14 C10 111.5(5) .
C15 C14 C16 109.6(5) .
C10 C14 C16 112.5(5) .
C15 C14 H14 107.7 .
C10 C14 H14 107.7 .
C16 C14 H14 107.7 .
C14 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C14 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C14 C16 H16A 109.5 .
C14 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C14 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C22 C17 C18 118.0(4) .
C22 C17 N2 122.0(4) .
C18 C17 N2 120.0(4) .
C19 C18 C17 120.3(5) .
C19 C18 C23 120.0(5) .
C17 C18 C23 119.7(5) .
C20 C19 C18 121.3(5) .
C20 C19 H19 119.4 .
C18 C19 H19 119.4 .
C19 C20 C21 119.1(5) .
C19 C20 H20 120.4 .
C21 C20 H20 120.4 .
C20 C21 C22 121.3(5) .
C20 C21 H21 119.3 .
C22 C21 H21 119.3 .
C21 C22 C17 119.8(5) .
C21 C22 C26 118.6(5) .
C17 C22 C26 121.2(4) .
C24 C23 C25 108.0(6) .
C24 C23 C18 113.0(5) .
C25 C23 C18 110.7(6) .
C24 C23 H23 108.3 .
C25 C23 H23 108.3 .
C18 C23 H23 108.3 .
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 .
C28 C26 C22 113.5(4) .
C28 C26 C27 109.8(4) .
C22 C26 C27 110.3(4) .
C28 C26 H26 107.7 .
C22 C26 H26 107.7 .
C27 C26 H26 107.7 .
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 .
O1 C29 C30 109.8(5) .
O1 C29 H29A 109.7 .
C30 C29 H29A 109.7 .
O1 C29 H29B 109.7 .
C30 C29 H29B 109.7 .
H29A C29 H29B 108.2 .
O2 C30 C29 108.3(5) .
O2 C30 H30A 110.0 .
C29 C30 H30A 110.0 .
O2 C30 H30B 110.0 .
C29 C30 H30B 110.0 .
H30A C30 H30B 108.4 .
O2 C31 C32 109.2(5) .
O2 C31 H31A 109.8 .
C32 C31 H31A 109.8 .
O2 C31 H31B 109.8 .
C32 C31 H31B 109.8 .
H31A C31 H31B 108.3 .
O3 C32 C31 108.1(5) .
O3 C32 H32A 110.1 .
C31 C32 H32A 110.1 .
O3 C32 H32B 110.1 .
C31 C32 H32B 110.1 .
H32A C32 H32B 108.4 .
O3 C33 C34 112.3(5) .
O3 C33 H33A 109.2 .
C34 C33 H33A 109.2 .
O3 C33 H33B 109.2 .
C34 C33 H33B 109.2 .
H33A C33 H33B 107.9 .
O4 C34 C33 106.7(5) .
O4 C34 H34A 110.4 .
C33 C34 H34A 110.4 .
O4 C34 H34B 110.4 .
C33 C34 H34B 110.4 .
H34A C34 H34B 108.6 .
O4 C35 C36 112.6(5) .
O4 C35 H35A 109.1 .
C36 C35 H35A 109.1 .
O4 C35 H35B 109.1 .
C36 C35 H35B 109.1 .
H35A C35 H35B 107.8 .
O5 C36 C35 108.8(5) .
O5 C36 H36A 109.9 .
C35 C36 H36A 109.9 .
O5 C36 H36B 109.9 .
C35 C36 H36B 109.9 .
H36A C36 H36B 108.3 .
O5 C37 C38 107.9(5) .
O5 C37 H37A 110.1 .
C38 C37 H37A 110.1 .
O5 C37 H37B 110.1 .
C38 C37 H37B 110.1 .
H37A C37 H37B 108.4 .
O1 C38 C37 113.7(5) .
O1 C38 H38A 108.8 .
C37 C38 H38A 108.8 .
O1 C38 H38B 108.8 .
C37 C38 H38B 108.8 .
H38A C38 H38B 107.7 .
C40 C39 O6 109.1(6) .
C40 C39 H39A 109.9 .
O6 C39 H39A 109.9 .
C40 C39 H39B 109.9 .
O6 C39 H39B 109.9 .
H39A C39 H39B 108.3 .
C39 C40 O7 117.7(6) .
C39 C40 K1 85.2(5) .
O7 C40 K1 51.4(3) .
C39 C40 H40A 107.9 .
O7 C40 H40A 107.9 .
K1 C40 H40A 159.3 .
C39 C40 H40B 107.9 .
O7 C40 H40B 107.9 .
K1 C40 H40B 82.9 .
H40A C40 H40B 107.2 .
O7 C41 C42 107.2(7) .
O7 C41 H41A 110.3 .
C42 C41 H41A 110.3 .
O7 C41 H41B 110.3 .
C42 C41 H41B 110.3 .
H41A C41 H41B 108.5 .
O8 C42 C41 115.2(7) .
O8 C42 H42A 108.5 .
C41 C42 H42A 108.5 .
O8 C42 H42B 108.5 .
C41 C42 H42B 108.5 .
H42A C42 H42B 107.5 .
O8 C43 C44 106.3(7) .
O8 C43 H43A 110.5 .
C44 C43 H43A 110.5 .
O8 C43 H43B 110.5 .
C44 C43 H43B 110.5 .
H43A C43 H43B 108.7 .
O9 C44 C43 109.4(7) .
O9 C44 H44A 109.8 .
C43 C44 H44A 109.8 .
O9 C44 H44B 109.8 .
C43 C44 H44B 109.8 .
H44A C44 H44B 108.2 .
O9 C45 C46 106.2(8) .
O9 C45 H45A 110.5 .
C46 C45 H45A 110.5 .
O9 C45 H45B 110.5 .
C46 C45 H45B 110.5 .
H45A C45 H45B 108.7 .
O10 C46 C45 105.8(7) .
O10 C46 H46A 110.6 .
C45 C46 H46A 110.6 .
O10 C46 H46B 110.6 .
C45 C46 H46B 110.6 .
H46A C46 H46B 108.7 .
O10 C47 C48 116.6(8) .
O10 C47 H47A 108.1 .
C48 C47 H47A 108.1 .
O10 C47 H47B 108.1 .
C48 C47 H47B 108.1 .
H47A C47 H47B 107.3 .
O6 C48 C47 111.0(6) .
O6 C48 H48A 109.4 .
C47 C48 H48A 109.4 .
O6 C48 H48B 109.4 .
C47 C48 H48B 109.4 .
H48A C48 H48B 108.0 .
O11 C49 C50 109.0(7) .
O11 C49 H49A 109.9 .
C50 C49 H49A 109.9 .
O11 C49 H49B 109.9 .
C50 C49 H49B 109.9 .
H49A C49 H49B 108.3 .
C49 C50 C51 104.7(7) .
C49 C50 H50A 110.8 .
C51 C50 H50A 110.8 .
C49 C50 H50B 110.8 .
C51 C50 H50B 110.8 .
H50A C50 H50B 108.9 .
C52 C51 C50 102.3(8) .
C52 C51 H51A 111.3 .
C50 C51 H51A 111.3 .
C52 C51 H51B 111.3 .
C50 C51 H51B 111.3 .
H51A C51 H51B 109.2 .
O11 C52 C51 105.3(6) .
O11 C52 H52A 110.7 .
C51 C52 H52A 110.7 .
O11 C52 H52B 110.7 .
C51 C52 H52B 110.7 .
H52A C52 H52B 108.8 .
O12 C53 C54 107.9(6) .
O12 C53 H53A 110.1 .
C54 C53 H53A 110.1 .
O12 C53 H53B 110.1 .
C54 C53 H53B 110.1 .
H53A C53 H53B 108.4 .
C53 C54 C55 102.9(6) .
C53 C54 H54A 111.2 .
C55 C54 H54A 111.2 .
C53 C54 H54B 111.2 .
C55 C54 H54B 111.2 .
H54A C54 H54B 109.1 .
C56 C55 C54 104.9(6) .
C56 C55 H55A 110.8 .
C54 C55 H55A 110.8 .
C56 C55 H55B 110.8 .
C54 C55 H55B 110.8 .
H55A C55 H55B 108.8 .
O12 C56 C55 106.9(6) .
O12 C56 H56A 110.4 .
C55 C56 H56A 110.4 .
O12 C56 H56B 110.4 .
C55 C56 H56B 110.4 .
H56A C56 H56B 108.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N1 2.000(4) .
Zn1 N2 2.025(4) .
Zn1 Zn1 2.4447(12) 2_576
K1 O4 2.806(4) .
K1 O5 2.834(4) .
K1 O6 2.840(5) .
K1 O1 2.855(4) .
K1 O7 2.865(6) .
K1 O10 2.871(6) .
K1 O8 2.959(5) .
K1 O2 2.961(4) .
K1 O3 2.971(4) .
K1 O9 3.046(6) .
K1 C40 3.538(8) .
O1 C29 1.431(8) .
O1 C38 1.434(8) .
O2 C31 1.418(8) .
O2 C30 1.421(8) .
O3 C32 1.422(7) .
O3 C33 1.436(7) .
O4 C35 1.428(7) .
O4 C34 1.429(7) .
O5 C37 1.431(7) .
O5 C36 1.458(7) .
O6 C48 1.388(10) .
O6 C39 1.428(9) .
O7 C41 1.322(8) .
O7 C40 1.460(8) .
O8 C43 1.358(9) .
O8 C42 1.483(10) .
O9 C45 1.370(10) .
O9 C44 1.398(11) .
O10 C46 1.382(10) .
O10 C47 1.385(10) .
O11 C49 1.385(9) .
O11 C52 1.429(8) .
O12 C53 1.406(8) .
O12 C56 1.433(8) .
N1 C1 1.414(6) .
N1 C5 1.429(6) .
N2 C2 1.402(6) .
N2 C17 1.421(6) .
C1 C2 1.368(7) .
C1 C3 1.513(7) .
C2 C4 1.514(6) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C10 1.411(7) .
C5 C6 1.428(7) .
C6 C7 1.406(7) .
C6 C11 1.515(7) .
C7 C8 1.359(7) .
C7 H7 0.9500 .
C8 C9 1.381(8) .
C8 H8 0.9500 .
C9 C10 1.388(7) .
C9 H9 0.9500 .
C10 C14 1.528(7) .
C11 C12 1.518(8) .
C11 C13 1.539(8) .
C11 H11 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.497(8) .
C14 C16 1.534(8) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C22 1.408(7) .
C17 C18 1.416(7) .
C18 C19 1.390(7) .
C18 C23 1.525(7) .
C19 C20 1.377(7) .
C19 H19 0.9500 .
C20 C21 1.382(7) .
C20 H20 0.9500 .
C21 C22 1.401(7) .
C21 H21 0.9500 .
C22 C26 1.543(7) .
C23 C24 1.498(9) .
C23 C25 1.505(10) .
C23 H23 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 C28 1.527(7) .
C26 C27 1.549(7) .
C26 H26 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C30 1.498(10) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.497(9) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.500(8) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.475(9) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.496(9) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.406(10) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.493(11) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.529(13) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.587(13) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 C48 1.446(12) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C50 1.439(12) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.517(12) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 C52 1.467(11) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.485(10) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.551(11) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.519(9) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O4 K1 O1 C29 -82.7(4) .
O5 K1 O1 C29 -109.7(4) .
O6 K1 O1 C29 81.2(6) .
O7 K1 O1 C29 -162.5(4) .
O10 K1 O1 C29 61.0(4) .
O8 K1 O1 C29 171.6(4) .
O2 K1 O1 C29 -7.2(4) .
O3 K1 O1 C29 -16.1(4) .
O9 K1 O1 C29 113.4(4) .
C40 K1 O1 C29 -164.5(5) .
O4 K1 O1 C38 49.4(4) .
O5 K1 O1 C38 22.3(4) .
O6 K1 O1 C38 -146.8(4) .
O7 K1 O1 C38 -30.5(4) .
O10 K1 O1 C38 -167.0(4) .
O8 K1 O1 C38 -56.4(4) .
O2 K1 O1 C38 124.8(4) .
O3 K1 O1 C38 116.0(4) .
O9 K1 O1 C38 -114.6(4) .
C40 K1 O1 C38 -32.5(6) .
O4 K1 O2 C31 -81.2(4) .
O5 K1 O2 C31 -142.1(4) .
O6 K1 O2 C31 6.1(4) .
O1 K1 O2 C31 158.5(4) .
O7 K1 O2 C31 -78.2(6) .
O10 K1 O2 C31 50.3(4) .
O8 K1 O2 C31 156.8(4) .
O3 K1 O2 C31 -31.1(4) .
O9 K1 O2 C31 96.1(4) .
C40 K1 O2 C31 -37.5(5) .
O4 K1 O2 C30 158.0(4) .
O5 K1 O2 C30 97.1(4) .
O6 K1 O2 C30 -114.7(4) .
O1 K1 O2 C30 37.8(4) .
O7 K1 O2 C30 161.1(5) .
O10 K1 O2 C30 -70.4(4) .
O8 K1 O2 C30 36.1(5) .
O3 K1 O2 C30 -151.8(4) .
O9 K1 O2 C30 -24.7(4) .
C40 K1 O2 C30 -158.2(4) .
O4 K1 O3 C32 114.0(4) .
O5 K1 O3 C32 70.5(4) .
O6 K1 O3 C32 -148.8(4) .
O1 K1 O3 C32 5.9(4) .
O7 K1 O3 C32 160.4(4) .
O10 K1 O3 C32 -85.5(4) .
O8 K1 O3 C32 153.8(5) .
O2 K1 O3 C32 -3.0(4) .
O9 K1 O3 C32 -89.3(4) .
C40 K1 O3 C32 173.2(4) .
O4 K1 O3 C33 -16.5(3) .
O5 K1 O3 C33 -59.9(4) .
O6 K1 O3 C33 80.8(4) .
O1 K1 O3 C33 -124.5(4) .
O7 K1 O3 C33 30.0(4) .
O10 K1 O3 C33 144.0(4) .
O8 K1 O3 C33 23.4(7) .
O2 K1 O3 C33 -133.5(4) .
O9 K1 O3 C33 140.3(4) .
C40 K1 O3 C33 42.8(4) .
O5 K1 O4 C35 -21.7(4) .
O6 K1 O4 C35 137.9(4) .
O1 K1 O4 C35 -48.7(4) .
O7 K1 O4 C35 77.4(4) .
O10 K1 O4 C35 -177.6(4) .
O8 K1 O4 C35 37.2(4) .
O2 K1 O4 C35 -103.9(4) .
O3 K1 O4 C35 -152.4(4) .
O9 K1 O4 C35 83.2(6) .
C40 K1 O4 C35 103.4(4) .
O5 K1 O4 C34 112.6(4) .
O6 K1 O4 C34 -87.9(4) .
O1 K1 O4 C34 85.6(4) .
O7 K1 O4 C34 -148.4(4) .
O10 K1 O4 C34 -43.4(4) .
O8 K1 O4 C34 171.4(4) .
O2 K1 O4 C34 30.4(4) .
O3 K1 O4 C34 -18.1(4) .
O9 K1 O4 C34 -142.6(5) .
C40 K1 O4 C34 -122.3(4) .
O4 K1 O5 C37 -142.8(4) .
O6 K1 O5 C37 -177.5(4) .
O1 K1 O5 C37 9.7(4) .
O7 K1 O5 C37 153.1(4) .
O10 K1 O5 C37 -14.4(6) .
O8 K1 O5 C37 94.1(4) .
O2 K1 O5 C37 -46.5(4) .
O3 K1 O5 C37 -100.5(4) .
O9 K1 O5 C37 61.6(4) .
C40 K1 O5 C37 169.1(4) .
O4 K1 O5 C36 -10.2(4) .
O6 K1 O5 C36 -44.9(5) .
O1 K1 O5 C36 142.3(4) .
O7 K1 O5 C36 -74.3(4) .
O10 K1 O5 C36 118.2(5) .
O8 K1 O5 C36 -133.3(4) .
O2 K1 O5 C36 86.1(4) .
O3 K1 O5 C36 32.1(4) .
O9 K1 O5 C36 -165.8(4) .
C40 K1 O5 C36 -58.3(4) .
O4 K1 O6 C48 145.4(5) .
O5 K1 O6 C48 175.4(5) .
O1 K1 O6 C48 -20.2(7) .
O7 K1 O6 C48 -150.8(6) .
O10 K1 O6 C48 3.0(5) .
O8 K1 O6 C48 -105.5(5) .
O2 K1 O6 C48 54.1(5) .
O3 K1 O6 C48 86.6(5) .
O9 K1 O6 C48 -52.0(5) .
C40 K1 O6 C48 -164.3(6) .
O4 K1 O6 C39 -69.4(5) .
O5 K1 O6 C39 -39.4(6) .
O1 K1 O6 C39 125.0(5) .
O7 K1 O6 C39 -5.6(4) .
O10 K1 O6 C39 148.2(5) .
O8 K1 O6 C39 39.7(5) .
O2 K1 O6 C39 -160.7(4) .
O3 K1 O6 C39 -128.2(5) .
O9 K1 O6 C39 93.1(5) .
C40 K1 O6 C39 -19.1(4) .
O4 K1 O7 C41 -150.9(6) .
O5 K1 O7 C41 -90.5(5) .
O6 K1 O7 C41 109.4(5) .
O1 K1 O7 C41 -46.1(6) .
O10 K1 O7 C41 84.0(6) .
O8 K1 O7 C41 -16.2(5) .
O2 K1 O7 C41 -154.3(5) .
O3 K1 O7 C41 165.7(5) .
O9 K1 O7 C41 31.2(5) .
C40 K1 O7 C41 131.8(7) .
O4 K1 O7 C40 77.2(4) .
O5 K1 O7 C40 137.6(4) .
O6 K1 O7 C40 -22.4(4) .
O1 K1 O7 C40 -177.9(3) .
O10 K1 O7 C40 -47.8(4) .
O8 K1 O7 C40 -148.0(4) .
O2 K1 O7 C40 73.9(6) .
O3 K1 O7 C40 33.9(4) .
O9 K1 O7 C40 -100.7(4) .
O4 K1 O8 C43 157.1(6) .
O5 K1 O8 C43 -151.7(6) .
O6 K1 O8 C43 67.1(6) .
O1 K1 O8 C43 -88.4(6) .
O7 K1 O8 C43 113.9(6) .
O10 K1 O8 C43 4.7(6) .
O2 K1 O8 C43 -86.9(6) .
O3 K1 O8 C43 121.3(7) .
O9 K1 O8 C43 -4.7(6) .
C40 K1 O8 C43 101.5(6) .
O4 K1 O8 C42 26.5(4) .
O5 K1 O8 C42 77.8(4) .
O6 K1 O8 C42 -63.5(4) .
O1 K1 O8 C42 141.1(4) .
O7 K1 O8 C42 -16.6(4) .
O10 K1 O8 C42 -125.8(4) .
O2 K1 O8 C42 142.6(4) .
O3 K1 O8 C42 -9.2(8) .
O9 K1 O8 C42 -135.2(4) .
C40 K1 O8 C42 -29.0(4) .
O4 K1 O9 C45 156.2(6) .
O5 K1 O9 C45 -111.4(6) .
O6 K1 O9 C45 100.7(6) .
O1 K1 O9 C45 -66.6(6) .
O7 K1 O9 C45 161.4(6) .
O10 K1 O9 C45 41.0(6) .
O8 K1 O9 C45 -149.6(6) .
O2 K1 O9 C45 -16.4(6) .
O3 K1 O9 C45 45.5(6) .
C40 K1 O9 C45 138.2(6) .
O4 K1 O9 C44 -85.8(6) .
O5 K1 O9 C44 6.6(5) .
O6 K1 O9 C44 -141.2(5) .
O1 K1 O9 C44 51.5(5) .
O7 K1 O9 C44 -80.5(5) .
O10 K1 O9 C44 159.1(5) .
O8 K1 O9 C44 -31.6(4) .
O2 K1 O9 C44 101.6(5) .
O3 K1 O9 C44 163.5(4) .
C40 K1 O9 C44 -103.8(5) .
O4 K1 O10 C46 -161.0(6) .
O5 K1 O10 C46 84.4(7) .
O6 K1 O10 C46 -107.4(7) .
O1 K1 O10 C46 63.3(7) .
O7 K1 O10 C46 -81.6(7) .
O8 K1 O10 C46 -16.4(7) .
O2 K1 O10 C46 117.5(7) .
O3 K1 O10 C46 176.6(7) .
O9 K1 O10 C46 -6.9(6) .
C40 K1 O10 C46 -99.1(7) .
O4 K1 O10 C47 -28.7(6) .
O5 K1 O10 C47 -143.3(5) .
O6 K1 O10 C47 24.9(5) .
O1 K1 O10 C47 -164.4(5) .
O7 K1 O10 C47 50.7(6) .
O8 K1 O10 C47 115.9(5) .
O2 K1 O10 C47 -110.2(5) .
O3 K1 O10 C47 -51.1(5) .
O9 K1 O10 C47 125.4(6) .
C40 K1 O10 C47 33.3(5) .
N2 Zn1 N1 C1 1.5(3) .
Zn1 Zn1 N1 C1 -176.9(2) 2_576
N2 Zn1 N1 C5 -158.6(4) .
Zn1 Zn1 N1 C5 23.0(5) 2_576
N1 Zn1 N2 C2 -1.5(3) .
Zn1 Zn1 N2 C2 176.7(2) 2_576
N1 Zn1 N2 C17 156.5(4) .
Zn1 Zn1 N2 C17 -25.2(5) 2_576
C5 N1 C1 C2 161.0(4) .
Zn1 N1 C1 C2 -1.2(5) .
C5 N1 C1 C3 -29.5(6) .
Zn1 N1 C1 C3 168.3(3) .
N1 C1 C2 N2 -0.1(6) .
C3 C1 C2 N2 -168.9(4) .
N1 C1 C2 C4 174.0(4) .
C3 C1 C2 C4 5.3(8) .
C17 N2 C2 C1 -158.7(4) .
Zn1 N2 C2 C1 1.4(5) .
C17 N2 C2 C4 26.7(6) .
Zn1 N2 C2 C4 -173.2(3) .
C1 N1 C5 C10 -64.4(6) .
Zn1 N1 C5 C10 94.7(5) .
C1 N1 C5 C6 113.0(5) .
Zn1 N1 C5 C6 -87.9(5) .
C10 C5 C6 C7 -2.8(7) .
N1 C5 C6 C7 179.7(4) .
C10 C5 C6 C11 177.0(5) .
N1 C5 C6 C11 -0.5(7) .
C5 C6 C7 C8 4.1(8) .
C11 C6 C7 C8 -175.7(5) .
C6 C7 C8 C9 -3.8(9) .
C7 C8 C9 C10 2.3(9) .
C8 C9 C10 C5 -1.0(8) .
C8 C9 C10 C14 -175.4(5) .
C6 C5 C10 C9 1.3(7) .
N1 C5 C10 C9 178.7(5) .
C6 C5 C10 C14 175.7(5) .
N1 C5 C10 C14 -6.9(7) .
C7 C6 C11 C12 -69.8(7) .
C5 C6 C11 C12 110.4(6) .
C7 C6 C11 C13 55.8(7) .
C5 C6 C11 C13 -123.9(5) .
C9 C10 C14 C15 59.5(7) .
C5 C10 C14 C15 -114.8(6) .
C9 C10 C14 C16 -64.2(7) .
C5 C10 C14 C16 121.5(6) .
C2 N2 C17 C22 61.4(6) .
Zn1 N2 C17 C22 -95.4(5) .
C2 N2 C17 C18 -120.8(5) .
Zn1 N2 C17 C18 82.5(5) .
C22 C17 C18 C19 4.0(7) .
N2 C17 C18 C19 -173.9(5) .
C22 C17 C18 C23 -174.6(5) .
N2 C17 C18 C23 7.4(7) .
C17 C18 C19 C20 -1.9(8) .
C23 C18 C19 C20 176.7(5) .
C18 C19 C20 C21 -1.0(8) .
C19 C20 C21 C22 1.8(8) .
C20 C21 C22 C17 0.4(8) .
C20 C21 C22 C26 173.2(5) .
C18 C17 C22 C21 -3.2(7) .
N2 C17 C22 C21 174.7(5) .
C18 C17 C22 C26 -175.8(4) .
N2 C17 C22 C26 2.1(7) .
C19 C18 C23 C24 54.2(8) .
C17 C18 C23 C24 -127.2(6) .
C19 C18 C23 C25 -67.1(7) .
C17 C18 C23 C25 111.5(6) .
C21 C22 C26 C28 45.2(7) .
C17 C22 C26 C28 -142.1(5) .
C21 C22 C26 C27 -78.4(6) .
C17 C22 C26 C27 94.3(6) .
C38 O1 C29 C30 -153.4(5) .
K1 O1 C29 C30 -23.2(7) .
C31 O2 C30 C29 172.9(5) .
K1 O2 C30 C29 -68.5(5) .
O1 C29 C30 O2 63.9(7) .
C30 O2 C31 C32 -179.0(5) .
K1 O2 C31 C32 65.1(5) .
C33 O3 C32 C31 164.1(5) .
K1 O3 C32 C31 34.7(6) .
O2 C31 C32 O3 -67.8(6) .
C32 O3 C33 C34 -84.1(6) .
K1 O3 C33 C34 49.4(6) .
C35 O4 C34 C33 -177.5(5) .
K1 O4 C34 C33 49.0(6) .
O3 C33 C34 O4 -66.4(7) .
C34 O4 C35 C36 -82.6(6) .
K1 O4 C35 C36 54.4(6) .
C37 O5 C36 C35 175.2(5) .
K1 O5 C36 C35 40.0(6) .
O4 C35 C36 O5 -64.5(7) .
C36 O5 C37 C38 -173.4(5) .
K1 O5 C37 C38 -39.0(6) .
C29 O1 C38 C37 80.1(7) .
K1 O1 C38 C37 -55.4(6) .
O5 C37 C38 O1 65.3(7) .
C48 O6 C39 C40 179.7(7) .
K1 O6 C39 C40 34.5(7) .
O6 C39 C40 O7 -65.5(9) .
O6 C39 C40 K1 -24.2(5) .
C41 O7 C40 C39 -78.2(9) .
K1 O7 C40 C39 57.3(7) .
C41 O7 C40 K1 -135.5(7) .
O4 K1 C40 C39 137.3(5) .
O5 K1 C40 C39 -175.2(4) .
O6 K1 C40 C39 17.4(4) .
O1 K1 C40 C39 -127.9(5) .
O7 K1 C40 C39 -131.6(6) .
O10 K1 C40 C39 6.2(5) .
O8 K1 C40 C39 -104.1(4) .
O2 K1 C40 C39 86.0(5) .
O3 K1 C40 C39 80.7(4) .
O9 K1 C40 C39 -50.0(5) .
O4 K1 C40 O7 -91.1(4) .
O5 K1 C40 O7 -43.6(4) .
O6 K1 C40 O7 149.0(5) .
O1 K1 C40 O7 3.8(6) .
O10 K1 C40 O7 137.8(4) .
O8 K1 C40 O7 27.5(4) .
O2 K1 C40 O7 -142.4(3) .
O3 K1 C40 O7 -147.7(4) .
O9 K1 C40 O7 81.6(4) .
C40 O7 C41 C42 172.8(7) .
K1 O7 C41 C42 45.0(8) .
C43 O8 C42 C41 -85.6(9) .
K1 O8 C42 C41 48.5(7) .
O7 C41 C42 O8 -64.0(9) .
C42 O8 C43 C44 165.6(7) .
K1 O8 C43 C44 37.3(9) .
C45 O9 C44 C43 178.8(7) .
K1 O9 C44 C43 67.6(7) .
O8 C43 C44 O9 -74.3(9) .
C44 O9 C45 C46 176.5(7) .
K1 O9 C45 C46 -71.9(7) .
C47 O10 C46 C45 -154.2(8) .
K1 O10 C46 C45 -23.4(10) .
O9 C45 C46 O10 66.7(9) .
C46 O10 C47 C48 83.0(10) .
K1 O10 C47 C48 -56.0(9) .
C39 O6 C48 C47 -174.7(7) .
K1 O6 C48 C47 -29.9(9) .
O10 C47 C48 O6 61.0(11) .
C52 O11 C49 C50 -6.7(11) .
O11 C49 C50 C51 -13.0(11) .
C49 C50 C51 C52 26.7(10) .
C49 O11 C52 C51 24.3(10) .
C50 C51 C52 O11 -30.8(10) .
C56 O12 C53 C54 -30.4(8) .
O12 C53 C54 C55 28.0(9) .
C53 C54 C55 C56 -15.7(8) .
C53 O12 C56 C55 19.1(8) .
C54 C55 C56 O12 -1.2(8) .
