# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_pypzn
_database_code_depnum_ccdc_archive 'CCDC 2191006'
loop_
_audit_author_name
_audit_author_address
'Salvador Blasco'
;Universitat de Valencia
Spain
;
_audit_update_record             
;
2022-07-18 deposited with the CCDC.	2023-03-27 downloaded from the CCDC.
;
_audit_creation_date             2022-07-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        znpypod
_chemical_formula_moiety         'C66 H102 Cl2 N22 Na Zn4, 7(Cl O4), 2(H2 O)'
_chemical_formula_sum            'C66 H106 Cl9 N22 Na O30 Zn4'
_chemical_formula_weight         2291.24
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Na Na 0.0362 0.0249 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   13.1143(2)
_cell_length_b                   18.5283(2)
_cell_length_c                   38.6732(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9397.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    195581
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      34.972
_cell_measurement_theta_min      2.910
_shelx_estimated_absorpt_T_max   0.924
_shelx_estimated_absorpt_T_min   0.409
_exptl_absorpt_coefficient_mu    1.357
_exptl_absorpt_correction_T_max  0.9274
_exptl_absorpt_correction_T_min  0.4225
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
MULABS - Empirical Correction for Absorption Anisotropy. 
c.f. R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4720
_exptl_crystal_size_max          0.803
_exptl_crystal_size_mid          0.339
_exptl_crystal_size_min          0.059
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1013
_diffrn_reflns_av_unetI/netI     0.0778
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            58315
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         3.045
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.0630182
_diffrn_orient_matrix_UB_12      0.0022235
_diffrn_orient_matrix_UB_13      -0.0145195
_diffrn_orient_matrix_UB_21      0.0366252
_diffrn_orient_matrix_UB_22      -0.0308688
_diffrn_orient_matrix_UB_23      0.0171944
_diffrn_orient_matrix_UB_31      -0.0224000
_diffrn_orient_matrix_UB_32      -0.0442165
_diffrn_orient_matrix_UB_33      -0.0127341
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5471
_reflns_number_total             10672
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.729
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         10672
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.1386
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.064
_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)+(0.1289P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1978
_refine_ls_wR_factor_ref         0.2313
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All O(H,H) groups
2. Restrained distances
 O2-H2C = O2-H2D
 0.82 with sigma of 0.02
 Cl1-O11 \\sim Cl1-O12 \\sim Cl1-O13 \\sim Cl1-O14
 with sigma of 0.02
 O11-O12 \\sim O11-O13 \\sim O11-O14 \\sim O12-O13 \\sim O12-O14 \\sim O13-O14
 with sigma of 0.02
3. Rigid bond restraints
 N3, C6, C7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Cl1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(O13) \\sim Ueq, Uanis(O14) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(Na1) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O2) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
5. Others
 Fixed X: H2C(0.69044) H2D(0.747869)
 Fixed Y: H2C(0.14529) H2D(0.14423)
 Fixed Z: H2C(0.118761) H2D(0.15437)
6.a Ternary CH refined with riding coordinates:
 N2(H2), N3(H3), N5(H5), N8(H8), N9(H9), N11(H11)
6.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C20(H20A,H20B), C21(H21A,H21B),
  C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,
 H26B), C27(H27A,H27B), C28(H28A,H28B)
6.c Aromatic/amide H refined with riding coordinates:
 C8(H8A), C9(H9A), C10(H10), C16(H16), C17(H17), C18(H18), C30(H30), C31(H31),
 C32(H32)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Zn1 Zn 0.16208(5) 0.24266(3) 0.17456(2) 0.0593(2) Uani 1 1 d . . . . .
Zn2 Zn -0.17073(4) 0.33156(3) 0.06602(2) 0.04762(19) Uani 1 1 d . . . . .
N10 N -0.2790(3) 0.4226(2) 0.05699(11) 0.0547(10) Uani 1 1 d . . . . .
N1 N 0.2330(4) 0.2822(3) 0.21920(14) 0.0801(14) Uani 1 1 d . . . . .
N2 N 0.2418(5) 0.3456(3) 0.15623(16) 0.0912(17) Uani 1 1 d . . . . .
H2 H 0.200491 0.368878 0.138284 0.109 Uiso 1 1 calc R U . . .
N3 N 0.1718(4) 0.1461(3) 0.20670(18) 0.0930(18) Uani 1 1 d . U . . .
H3 H 0.105340 0.121915 0.206645 0.112 Uiso 1 1 calc R U . . .
N4 N 0.3086(4) 0.1995(3) 0.15532(15) 0.0776(14) Uani 1 1 d . . . . .
N5 N 0.1089(3) 0.1970(2) 0.12540(11) 0.0583(10) Uani 1 1 d . . . . .
H5 H 0.096508 0.145578 0.129613 0.070 Uiso 1 1 calc R U . . .
N6 N -0.0897(3) 0.2263(2) 0.05756(11) 0.0531(10) Uani 1 1 d . . . . .
N7 N -0.0934(3) 0.38719(19) 0.10425(11) 0.0491(9) Uani 1 1 d . . . . .
N8 N -0.0695(3) 0.4058(2) 0.03505(11) 0.0516(10) Uani 1 1 d . . . . .
H8 H -0.043174 0.380019 0.014810 0.062 Uiso 1 1 calc R U . . .
N9 N -0.2715(3) 0.3153(2) 0.11202(12) 0.0634(12) Uani 1 1 d . . . . .
H9 H -0.290870 0.264372 0.113803 0.076 Uiso 1 1 calc R U . . .
N11 N -0.2558(3) 0.2859(2) 0.02599(11) 0.0545(10) Uani 1 1 d . . . . .
H11 H -0.310764 0.257574 0.036465 0.065 Uiso 1 1 calc R U . . .
C1 C 0.2472(7) 0.3928(3) 0.1866(3) 0.112(3) Uani 1 1 d . . . . .
H1A H 0.182054 0.416425 0.190051 0.134 Uiso 1 1 calc R U . . .
H1B H 0.298483 0.429714 0.182913 0.134 Uiso 1 1 calc R U . . .
C2 C 0.3419(6) 0.3244(4) 0.1415(2) 0.101(2) Uani 1 1 d . . . . .
H2A H 0.334895 0.318617 0.116690 0.122 Uiso 1 1 calc R U . . .
H2B H 0.390596 0.362918 0.145585 0.122 Uiso 1 1 calc R U . . .
C3 C 0.3815(5) 0.2580(4) 0.1561(2) 0.097(2) Uani 1 1 d . . . . .
H3A H 0.441890 0.243696 0.143365 0.117 Uiso 1 1 calc R U . . .
H3B H 0.401609 0.266688 0.179894 0.117 Uiso 1 1 calc R U . . .
C4 C 0.3359(5) 0.1406(4) 0.1793(3) 0.120(3) Uani 1 1 d . . . . .
H4A H 0.370357 0.160686 0.199276 0.144 Uiso 1 1 calc R U . . .
H4B H 0.382736 0.107874 0.167850 0.144 Uiso 1 1 calc R U . . .
C5 C 0.2447(8) 0.0997(4) 0.1909(3) 0.142(4) Uani 1 1 d . . . . .
H5A H 0.213770 0.075712 0.171257 0.170 Uiso 1 1 calc R U . . .
H5B H 0.265373 0.062898 0.207357 0.170 Uiso 1 1 calc R U . . .
C6 C 0.1976(7) 0.1664(5) 0.2427(2) 0.127(3) Uani 1 1 d . U . . .
H6A H 0.241488 0.129596 0.252553 0.152 Uiso 1 1 calc R U . . .
H6B H 0.135527 0.167940 0.256311 0.152 Uiso 1 1 calc R U . . .
C7 C 0.2497(6) 0.2374(5) 0.2451(2) 0.096(2) Uani 1 1 d . U . . .
C8 C 0.3124(8) 0.2586(7) 0.2730(3) 0.136(4) Uani 1 1 d . . . . .
H8A H 0.322831 0.228058 0.291733 0.163 Uiso 1 1 calc R U . . .
C9 C 0.3551(8) 0.3220(9) 0.2718(3) 0.146(4) Uani 1 1 d . . . . .
H9A H 0.400404 0.334726 0.289271 0.176 Uiso 1 1 calc R U . . .
C10 C 0.3364(7) 0.3706(5) 0.2460(3) 0.124(3) Uani 1 1 d . . . . .
H10 H 0.364043 0.416803 0.246728 0.149 Uiso 1 1 calc R U . . .
C11 C 0.2742(5) 0.3489(4) 0.2185(2) 0.094(2) Uani 1 1 d . . . . .
C12 C 0.2915(5) 0.1677(4) 0.1209(2) 0.107(3) Uani 1 1 d . . . . .
H12A H 0.280813 0.116186 0.123376 0.129 Uiso 1 1 calc R U . . .
H12B H 0.351893 0.174880 0.106871 0.129 Uiso 1 1 calc R U . . .
C13 C 0.1988(6) 0.2012(4) 0.10237(18) 0.098(2) Uani 1 1 d . . . . .
H13A H 0.212907 0.251209 0.096644 0.117 Uiso 1 1 calc R U . . .
H13B H 0.185311 0.175298 0.081061 0.117 Uiso 1 1 calc R U . . .
C14 C 0.0145(5) 0.2262(3) 0.11001(16) 0.0761(17) Uani 1 1 d . . . . .
H14A H 0.026064 0.276477 0.104304 0.091 Uiso 1 1 calc R U . . .
H14B H -0.038693 0.224635 0.127420 0.091 Uiso 1 1 calc R U . . .
C15 C -0.0244(4) 0.1883(3) 0.07799(14) 0.0568(13) Uani 1 1 d . . . . .
C16 C 0.0038(4) 0.1183(3) 0.06977(15) 0.0613(14) Uani 1 1 d . . . . .
H16 H 0.045646 0.092477 0.084757 0.074 Uiso 1 1 calc R U . . .
C17 C -0.0292(4) 0.0868(3) 0.03993(16) 0.0650(15) Uani 1 1 d . . . . .
H17 H -0.009480 0.040119 0.034191 0.078 Uiso 1 1 calc R U . . .
C18 C -0.0922(4) 0.1257(3) 0.01852(14) 0.0603(13) Uani 1 1 d . . . . .
H18 H -0.114082 0.106257 -0.002371 0.072 Uiso 1 1 calc R U . . .
C19 C -0.1230(4) 0.1944(2) 0.02837(13) 0.0515(12) Uani 1 1 d . . . . .
C20 C -0.1922(4) 0.2364(3) 0.00567(15) 0.0610(13) Uani 1 1 d . . . . .
H20A H -0.152174 0.263829 -0.010836 0.073 Uiso 1 1 calc R U . . .
H20B H -0.235647 0.203587 -0.007164 0.073 Uiso 1 1 calc R U . . .
C21 C -0.3037(4) 0.3437(3) 0.00461(14) 0.0621(14) Uani 1 1 d . . . . .
H21A H -0.357056 0.323175 -0.009703 0.074 Uiso 1 1 calc R U . . .
H21B H -0.252968 0.365237 -0.010447 0.074 Uiso 1 1 calc R U . . .
C22 C -0.3485(4) 0.4010(3) 0.02831(15) 0.0642(14) Uani 1 1 d . . . . .
H22A H -0.364846 0.443410 0.014667 0.077 Uiso 1 1 calc R U . . .
H22B H -0.411534 0.382913 0.038122 0.077 Uiso 1 1 calc R U . . .
C23 C 0.0141(4) 0.4247(3) 0.05759(15) 0.0623(14) Uani 1 1 d . . . . .
H23A H 0.044059 0.469608 0.049728 0.075 Uiso 1 1 calc R U . . .
H23B H 0.065997 0.387519 0.056112 0.075 Uiso 1 1 calc R U . . .
C24 C -0.1294(4) 0.4678(3) 0.02369(15) 0.0613(14) Uani 1 1 d . . . . .
H24A H -0.158410 0.457729 0.001125 0.074 Uiso 1 1 calc R U . . .
H24B H -0.085058 0.509467 0.021432 0.074 Uiso 1 1 calc R U . . .
C25 C -0.2159(4) 0.4856(3) 0.04923(16) 0.0637(14) Uani 1 1 d . . . . .
H25A H -0.186645 0.503883 0.070531 0.076 Uiso 1 1 calc R U . . .
H25B H -0.258495 0.523236 0.039469 0.076 Uiso 1 1 calc R U . . .
C26 C -0.3365(4) 0.4322(3) 0.08982(15) 0.0614(14) Uani 1 1 d . . . . .
H26A H -0.398297 0.459443 0.085298 0.074 Uiso 1 1 calc R U . . .
H26B H -0.295406 0.459590 0.106037 0.074 Uiso 1 1 calc R U . . .
C27 C -0.3640(4) 0.3602(3) 0.10563(16) 0.0753(17) Uani 1 1 d . . . . .
H27A H -0.399546 0.368071 0.127300 0.090 Uiso 1 1 calc R U . . .
H27B H -0.409706 0.334546 0.090195 0.090 Uiso 1 1 calc R U . . .
C28 C -0.2153(4) 0.3370(3) 0.14287(14) 0.0650(14) Uani 1 1 d . . . . .
H28A H -0.184980 0.294543 0.153326 0.078 Uiso 1 1 calc R U . . .
H28B H -0.262660 0.357533 0.159444 0.078 Uiso 1 1 calc R U . . .
C29 C -0.1327(4) 0.3911(3) 0.13549(15) 0.0565(12) Uani 1 1 d . . . . .
C30 C -0.1006(6) 0.4399(3) 0.15966(18) 0.0841(18) Uani 1 1 d . . . . .
H30 H -0.129195 0.441722 0.181644 0.101 Uiso 1 1 calc R U . . .
C31 C -0.0223(6) 0.4869(4) 0.1496(2) 0.101(2) Uani 1 1 d . . . . .
H31 H 0.001988 0.520932 0.165239 0.121 Uiso 1 1 calc R U . . .
C32 C 0.0191(5) 0.4835(3) 0.1170(2) 0.0850(19) Uani 1 1 d . . . . .
H32 H 0.070976 0.514848 0.110475 0.102 Uiso 1 1 calc R U . . .
C33 C -0.0178(3) 0.4328(2) 0.09429(14) 0.0543(12) Uani 1 1 d . . . . .
Cl2 Cl 0.500000 0.04696(15) 0.250000 0.0991(8) Uani 1 2 d S T P . .
O21 O 0.4547(8) 0.0910(5) 0.2733(2) 0.239(5) Uani 1 1 d . . . . .
O22 O 0.4324(5) 0.0034(3) 0.2326(2) 0.161(3) Uani 1 1 d . . . . .
Cl3 Cl 0.52784(12) 0.16954(9) 0.05246(5) 0.0817(5) Uani 1 1 d . . . . .
O31 O 0.5007(6) 0.2366(3) 0.0603(3) 0.199(4) Uani 1 1 d . . . . .
O32 O 0.4471(4) 0.1241(3) 0.04752(14) 0.1112(17) Uani 1 1 d . . . . .
O33 O 0.5671(7) 0.1746(5) 0.0193(3) 0.253(6) Uani 1 1 d . . . . .
O34 O 0.6021(9) 0.1484(6) 0.0705(4) 0.317(8) Uani 1 1 d . . . . .
Cl4 Cl 0.30497(10) 0.45955(8) 0.07260(4) 0.0681(4) Uani 1 1 d . . . . .
O41 O 0.2778(5) 0.5080(4) 0.0473(2) 0.173(3) Uani 1 1 d . . . . .
O42 O 0.4083(3) 0.4407(3) 0.07028(15) 0.1039(15) Uani 1 1 d . . . . .
O43 O 0.2463(4) 0.3959(3) 0.07065(19) 0.141(2) Uani 1 1 d . . . . .
O44 O 0.2891(6) 0.4916(3) 0.10495(18) 0.155(2) Uani 1 1 d . . . . .
Cl1 Cl 0.0610(2) 0.0336(2) 0.32196(8) 0.1658(13) Uani 1 1 d D . . . .
O11 O -0.0046(8) 0.0564(5) 0.3461(2) 0.236(5) Uani 1 1 d D . . . .
O12 O 0.0334(9) 0.0501(8) 0.2904(3) 0.353(10) Uani 1 1 d D . . . .
O14 O 0.1500(9) 0.0628(11) 0.3303(4) 0.411(11) Uani 1 1 d D U . . .
O13 O 0.0732(15) -0.0384(7) 0.3244(4) 0.502(14) Uani 1 1 d D U . . .
Cl5 Cl -0.00285(16) 0.27482(12) 0.19325(6) 0.1216(7) Uani 1 1 d . . . . .
O2 O 0.7136(13) 0.1612(5) 0.1372(3) 0.325(8) Uani 1 1 d D U . . .
H2C H 0.690440 0.145290 0.118761 0.390 Uiso 1 1 d D U . . .
H2D H 0.747869 0.144230 0.154370 0.390 Uiso 1 1 d D U . . .
Na1 Na 0.000000 0.3519(5) 0.250000 0.477(14) Uani 1 2 d S TU P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Zn1 N1 2.093(5) . ?
Zn1 N2 2.288(5) . ?
Zn1 N3 2.183(5) . ?
Zn1 N4 2.210(5) . ?
Zn1 N5 2.195(4) . ?
Zn1 Cl5 2.357(2) . ?
Zn2 N10 2.232(4) . ?
Zn2 N6 2.245(4) . ?
Zn2 N7 2.068(4) . ?
Zn2 N8 2.257(4) . ?
Zn2 N9 2.237(4) . ?
Zn2 N11 2.087(4) . ?
N10 C22 1.490(6) . ?
N10 C25 1.461(6) . ?
N10 C26 1.488(7) . ?
N1 C7 1.318(9) . ?
N1 C11 1.350(8) . ?
N2 H2 0.9800 . ?
N2 C1 1.465(9) . ?
N2 C2 1.484(9) . ?
N3 H3 0.9800 . ?
N3 C5 1.422(11) . ?
N3 C6 1.482(11) . ?
N4 C3 1.445(8) . ?
N4 C4 1.476(10) . ?
N4 C12 1.472(8) . ?
N5 H5 0.9800 . ?
N5 C13 1.480(8) . ?
N5 C14 1.476(6) . ?
N6 C15 1.362(6) . ?
N6 C19 1.347(6) . ?
N7 C29 1.316(6) . ?
N7 C33 1.359(6) . ?
N8 H8 0.9800 . ?
N8 C23 1.443(6) . ?
N8 C24 1.460(6) . ?
N9 H9 0.9800 . ?
N9 C27 1.491(7) . ?
N9 C28 1.459(7) . ?
N11 H11 0.9800 . ?
N11 C20 1.468(6) . ?
N11 C21 1.491(6) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C11 1.517(11) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.451(10) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.486(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.486(11) . ?
C7 C8 1.412(12) . ?
C8 H8A 0.9300 . ?
C8 C9 1.302(14) . ?
C9 H9A 0.9300 . ?
C9 C10 1.366(14) . ?
C10 H10 0.9300 . ?
C10 C11 1.400(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.542(10) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.512(7) . ?
C15 C16 1.386(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.363(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.375(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.388(7) . ?
C19 C20 1.483(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.521(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C33 1.487(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.539(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.512(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.503(7) . ?
C29 C30 1.366(8) . ?
C30 H30 0.9300 . ?
C30 C31 1.402(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.373(10) . ?
C32 H32 0.9300 . ?
C32 C33 1.374(8) . ?
Cl2 O21 1.352(7) . ?
Cl2 O21 1.352(7) 4_655 ?
Cl2 O22 1.375(5) 4_655 ?
Cl2 O22 1.375(5) . ?
Cl3 O31 1.328(6) . ?
Cl3 O32 1.367(5) . ?
Cl3 O33 1.387(8) . ?
Cl3 O34 1.260(8) . ?
Cl4 O41 1.374(5) . ?
Cl4 O42 1.402(4) . ?
Cl4 O43 1.410(5) . ?
Cl4 O44 1.400(6) . ?
Cl1 O11 1.338(7) . ?
Cl1 O12 1.310(8) . ?
Cl1 O14 1.326(9) . ?
Cl1 O13 1.346(11) . ?
Cl5 Na1 2.618(6) . ?
O2 H2C 0.830(9) . ?
O2 H2C 0.830(9) . ?
O2 H2D 0.861(10) . ?
O2 H2D 0.861(10) . ?

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
N1 Zn1 N2 76.2(2) . . ?
N1 Zn1 N3 77.9(2) . . ?
N1 Zn1 N4 91.0(2) . . ?
N1 Zn1 N5 172.08(17) . . ?
N1 Zn1 Cl5 93.82(15) . . ?
N2 Zn1 Cl5 107.66(17) . . ?
N3 Zn1 N2 146.4(2) . . ?
N3 Zn1 N4 81.0(2) . . ?
N3 Zn1 N5 101.3(2) . . ?
N3 Zn1 Cl5 94.96(17) . . ?
N4 Zn1 N2 78.5(2) . . ?
N4 Zn1 Cl5 172.95(14) . . ?
N5 Zn1 N2 101.44(19) . . ?
N5 Zn1 N4 81.09(18) . . ?
N5 Zn1 Cl5 94.10(12) . . ?
N10 Zn2 N6 159.18(15) . . ?
N10 Zn2 N8 80.22(15) . . ?
N10 Zn2 N9 81.39(16) . . ?
N6 Zn2 N8 100.01(14) . . ?
N7 Zn2 N10 92.68(14) . . ?
N7 Zn2 N6 107.77(14) . . ?
N7 Zn2 N8 77.70(15) . . ?
N7 Zn2 N9 77.77(16) . . ?
N7 Zn2 N11 173.88(15) . . ?
N9 Zn2 N6 106.20(15) . . ?
N9 Zn2 N8 148.43(15) . . ?
N11 Zn2 N10 81.38(15) . . ?
N11 Zn2 N6 78.05(15) . . ?
N11 Zn2 N8 99.66(15) . . ?
N11 Zn2 N9 102.69(16) . . ?
C22 N10 Zn2 107.6(3) . . ?
C25 N10 Zn2 106.0(3) . . ?
C25 N10 C22 114.0(4) . . ?
C25 N10 C26 111.5(4) . . ?
C26 N10 Zn2 106.2(3) . . ?
C26 N10 C22 110.9(4) . . ?
C7 N1 Zn1 118.7(5) . . ?
C7 N1 C11 121.7(7) . . ?
C11 N1 Zn1 118.7(5) . . ?
Zn1 N2 H2 109.5 . . ?
C1 N2 Zn1 105.7(5) . . ?
C1 N2 H2 109.5 . . ?
C1 N2 C2 115.0(6) . . ?
C2 N2 Zn1 107.6(4) . . ?
C2 N2 H2 109.5 . . ?
Zn1 N3 H3 108.7 . . ?
C5 N3 Zn1 106.9(5) . . ?
C5 N3 H3 108.7 . . ?
C5 N3 C6 113.8(7) . . ?
C6 N3 Zn1 109.9(5) . . ?
C6 N3 H3 108.7 . . ?
C3 N4 Zn1 107.3(4) . . ?
C3 N4 C4 112.4(6) . . ?
C3 N4 C12 114.8(6) . . ?
C4 N4 Zn1 105.5(4) . . ?
C12 N4 Zn1 108.5(4) . . ?
C12 N4 C4 108.0(6) . . ?
Zn1 N5 H5 106.5 . . ?
C13 N5 Zn1 104.4(3) . . ?
C13 N5 H5 106.5 . . ?
C14 N5 Zn1 118.3(3) . . ?
C14 N5 H5 106.5 . . ?
C14 N5 C13 113.9(5) . . ?
C15 N6 Zn2 131.5(3) . . ?
C19 N6 Zn2 110.5(3) . . ?
C19 N6 C15 117.6(4) . . ?
C29 N7 Zn2 119.5(3) . . ?
C29 N7 C33 120.8(4) . . ?
C33 N7 Zn2 117.7(3) . . ?
Zn2 N8 H8 109.5 . . ?
C23 N8 Zn2 105.9(3) . . ?
C23 N8 H8 109.5 . . ?
C23 N8 C24 113.6(4) . . ?
C24 N8 Zn2 108.8(3) . . ?
C24 N8 H8 109.5 . . ?
Zn2 N9 H9 109.8 . . ?
C27 N9 Zn2 105.9(3) . . ?
C27 N9 H9 109.8 . . ?
C28 N9 Zn2 108.3(3) . . ?
C28 N9 H9 109.8 . . ?
C28 N9 C27 113.2(4) . . ?
Zn2 N11 H11 107.7 . . ?
C20 N11 Zn2 110.3(3) . . ?
C20 N11 H11 107.7 . . ?
C20 N11 C21 113.0(4) . . ?
C21 N11 Zn2 110.2(3) . . ?
C21 N11 H11 107.7 . . ?
N2 C1 H1A 109.6 . . ?
N2 C1 H1B 109.6 . . ?
N2 C1 C11 110.1(5) . . ?
H1A C1 H1B 108.2 . . ?
C11 C1 H1A 109.6 . . ?
C11 C1 H1B 109.6 . . ?
N2 C2 H2A 109.0 . . ?
N2 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C3 C2 N2 113.0(6) . . ?
C3 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
N4 C3 C2 113.0(6) . . ?
N4 C3 H3A 109.0 . . ?
N4 C3 H3B 109.0 . . ?
C2 C3 H3A 109.0 . . ?
C2 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
N4 C4 H4A 109.2 . . ?
N4 C4 H4B 109.2 . . ?
N4 C4 C5 111.9(5) . . ?
H4A C4 H4B 107.9 . . ?
C5 C4 H4A 109.2 . . ?
C5 C4 H4B 109.2 . . ?
N3 C5 C4 111.2(6) . . ?
N3 C5 H5A 109.4 . . ?
N3 C5 H5B 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
N3 C6 H6A 109.0 . . ?
N3 C6 H6B 109.0 . . ?
N3 C6 C7 112.9(6) . . ?
H6A C6 H6B 107.8 . . ?
C7 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
N1 C7 C6 115.7(7) . . ?
N1 C7 C8 120.2(8) . . ?
C8 C7 C6 124.1(8) . . ?
C7 C8 H8A 120.8 . . ?
C9 C8 C7 118.3(11) . . ?
C9 C8 H8A 120.8 . . ?
C8 C9 H9A 118.6 . . ?
C8 C9 C10 122.9(10) . . ?
C10 C9 H9A 118.6 . . ?
C9 C10 H10 121.0 . . ?
C9 C10 C11 118.1(9) . . ?
C11 C10 H10 121.0 . . ?
N1 C11 C1 114.5(6) . . ?
N1 C11 C10 118.7(9) . . ?
C10 C11 C1 126.8(8) . . ?
N4 C12 H12A 109.1 . . ?
N4 C12 H12B 109.1 . . ?
N4 C12 C13 112.3(5) . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
N5 C13 C12 109.0(6) . . ?
N5 C13 H13A 109.9 . . ?
N5 C13 H13B 109.9 . . ?
C12 C13 H13A 109.9 . . ?
C12 C13 H13B 109.9 . . ?
H13A C13 H13B 108.3 . . ?
N5 C14 H14A 108.2 . . ?
N5 C14 H14B 108.2 . . ?
N5 C14 C15 116.3(4) . . ?
H14A C14 H14B 107.4 . . ?
C15 C14 H14A 108.2 . . ?
C15 C14 H14B 108.2 . . ?
N6 C15 C14 116.6(4) . . ?
N6 C15 C16 121.3(5) . . ?
C16 C15 C14 122.2(5) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118.5(5) . . ?
C18 C17 H17 120.8 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(5) . . ?
C19 C18 H18 120.3 . . ?
N6 C19 C18 122.5(5) . . ?
N6 C19 C20 117.6(4) . . ?
C18 C19 C20 119.8(5) . . ?
N11 C20 C19 111.0(4) . . ?
N11 C20 H20A 109.4 . . ?
N11 C20 H20B 109.4 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
N11 C21 H21A 109.8 . . ?
N11 C21 H21B 109.8 . . ?
N11 C21 C22 109.3(4) . . ?
H21A C21 H21B 108.3 . . ?
C22 C21 H21A 109.8 . . ?
C22 C21 H21B 109.8 . . ?
N10 C22 C21 113.6(4) . . ?
N10 C22 H22A 108.9 . . ?
N10 C22 H22B 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
N8 C23 H23A 109.0 . . ?
N8 C23 H23B 109.0 . . ?
N8 C23 C33 112.8(4) . . ?
H23A C23 H23B 107.8 . . ?
C33 C23 H23A 109.0 . . ?
C33 C23 H23B 109.0 . . ?
N8 C24 H24A 109.3 . . ?
N8 C24 H24B 109.3 . . ?
N8 C24 C25 111.8(4) . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
N10 C25 C24 112.2(4) . . ?
N10 C25 H25A 109.2 . . ?
N10 C25 H25B 109.2 . . ?
C24 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
N10 C26 H26A 109.4 . . ?
N10 C26 H26B 109.4 . . ?
N10 C26 C27 111.1(4) . . ?
H26A C26 H26B 108.0 . . ?
C27 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
N9 C27 C26 111.4(4) . . ?
N9 C27 H27A 109.3 . . ?
N9 C27 H27B 109.3 . . ?
C26 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
H27A C27 H27B 108.0 . . ?
N9 C28 H28A 109.0 . . ?
N9 C28 H28B 109.0 . . ?
N9 C28 C29 113.1(4) . . ?
H28A C28 H28B 107.8 . . ?
C29 C28 H28A 109.0 . . ?
C29 C28 H28B 109.0 . . ?
N7 C29 C28 114.8(4) . . ?
N7 C29 C30 123.0(5) . . ?
C30 C29 C28 122.2(6) . . ?
C29 C30 H30 121.7 . . ?
C29 C30 C31 116.6(6) . . ?
C31 C30 H30 121.7 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 121.0(6) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 120.7 . . ?
C31 C32 C33 118.6(6) . . ?
C33 C32 H32 120.7 . . ?
N7 C33 C23 114.3(4) . . ?
N7 C33 C32 120.0(6) . . ?
C32 C33 C23 125.5(5) . . ?
O21 Cl2 O21 105.8(11) . 4_655 ?
O21 Cl2 O22 113.3(5) . . ?
O21 Cl2 O22 113.3(5) 4_655 4_655 ?
O21 Cl2 O22 108.2(5) 4_655 . ?
O21 Cl2 O22 108.2(5) . 4_655 ?
O22 Cl2 O22 108.1(5) 4_655 . ?
O31 Cl3 O32 113.7(4) . . ?
O31 Cl3 O33 104.4(7) . . ?
O32 Cl3 O33 101.6(4) . . ?
O34 Cl3 O31 111.8(7) . . ?
O34 Cl3 O32 118.9(6) . . ?
O34 Cl3 O33 104.2(9) . . ?
O41 Cl4 O42 111.6(4) . . ?
O41 Cl4 O43 111.5(4) . . ?
O41 Cl4 O44 108.7(5) . . ?
O42 Cl4 O43 108.4(3) . . ?
O44 Cl4 O42 107.8(4) . . ?
O44 Cl4 O43 108.7(4) . . ?
O11 Cl1 O13 110.0(8) . . ?
O12 Cl1 O11 113.4(6) . . ?
O12 Cl1 O14 112.0(8) . . ?
O12 Cl1 O13 109.2(8) . . ?
O14 Cl1 O11 105.5(8) . . ?
O14 Cl1 O13 106.5(8) . . ?
Zn1 Cl5 Na1 112.44(8) . . ?
H2C O2 H2C 0.0 . . ?
H2C O2 H2D 136.3(13) . . ?
H2C O2 H2D 136.3(13) . . ?
H2C O2 H2D 136.3(13) . . ?
H2D O2 H2C 136.3(13) . . ?
H2D O2 H2D 0.0 . . ?
Cl5 Na1 Cl5 113.9(4) 4 . ?

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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C7 C6 -11.8(9) . . . . ?
Zn1 N1 C7 C8 169.1(6) . . . . ?
Zn1 N1 C11 C1 10.3(8) . . . . ?
Zn1 N1 C11 C10 -169.3(5) . . . . ?
Zn1 N2 C1 C11 40.8(7) . . . . ?
Zn1 N2 C2 C3 -26.7(8) . . . . ?
Zn1 N3 C5 C4 43.3(9) . . . . ?
Zn1 N3 C6 C7 -23.2(9) . . . . ?
Zn1 N4 C3 C2 -46.7(8) . . . . ?
Zn1 N4 C4 C5 36.7(8) . . . . ?
Zn1 N4 C12 C13 25.1(7) . . . . ?
Zn1 N5 C13 C12 50.7(6) . . . . ?
Zn1 N5 C14 C15 -174.4(4) . . . . ?
Zn2 N10 C22 C21 -23.7(5) . . . . ?
Zn2 N10 C25 C24 44.6(5) . . . . ?
Zn2 N10 C26 C27 -40.6(4) . . . . ?
Zn2 N6 C15 C14 -10.2(7) . . . . ?
Zn2 N6 C15 C16 169.3(4) . . . . ?
Zn2 N6 C19 C18 -174.2(4) . . . . ?
Zn2 N6 C19 C20 8.1(5) . . . . ?
Zn2 N7 C29 C28 16.8(6) . . . . ?
Zn2 N7 C29 C30 -164.0(4) . . . . ?
Zn2 N7 C33 C23 -12.6(5) . . . . ?
Zn2 N7 C33 C32 164.3(4) . . . . ?
Zn2 N8 C23 C33 -36.1(5) . . . . ?
Zn2 N8 C24 C25 29.6(5) . . . . ?
Zn2 N9 C27 C26 -40.4(5) . . . . ?
Zn2 N9 C28 C29 25.2(5) . . . . ?
Zn2 N11 C20 C19 39.3(5) . . . . ?
Zn2 N11 C21 C22 -44.0(5) . . . . ?
N10 C26 C27 N9 57.3(6) . . . . ?
N1 C7 C8 C9 -2.1(15) . . . . ?
N2 C1 C11 N1 -36.1(9) . . . . ?
N2 C1 C11 C10 143.4(8) . . . . ?
N2 C2 C3 N4 51.1(9) . . . . ?
N3 C6 C7 N1 23.7(11) . . . . ?
N3 C6 C7 C8 -157.3(8) . . . . ?
N4 C4 C5 N3 -56.6(10) . . . . ?
N4 C12 C13 N5 -53.0(8) . . . . ?
N5 C14 C15 N6 -159.9(5) . . . . ?
N5 C14 C15 C16 20.7(9) . . . . ?
N6 C15 C16 C17 3.4(8) . . . . ?
N6 C19 C20 N11 -31.5(6) . . . . ?
N7 C29 C30 C31 0.2(9) . . . . ?
N8 C23 C33 N7 34.4(6) . . . . ?
N8 C23 C33 C32 -142.3(5) . . . . ?
N8 C24 C25 N10 -52.3(6) . . . . ?
N9 C28 C29 N7 -28.6(6) . . . . ?
N9 C28 C29 C30 152.2(5) . . . . ?
N11 C21 C22 N10 45.2(6) . . . . ?
C1 N2 C2 C3 90.7(8) . . . . ?
C2 N2 C1 C11 -77.7(8) . . . . ?
C3 N4 C4 C5 153.3(7) . . . . ?
C3 N4 C12 C13 -94.8(7) . . . . ?
C4 N4 C3 C2 -162.2(7) . . . . ?
C4 N4 C12 C13 139.0(6) . . . . ?
C5 N3 C6 C7 96.6(8) . . . . ?
C6 N3 C5 C4 -78.2(9) . . . . ?
C6 C7 C8 C9 178.9(10) . . . . ?
C7 N1 C11 C1 179.7(7) . . . . ?
C7 N1 C11 C10 0.1(10) . . . . ?
C7 C8 C9 C10 4.7(17) . . . . ?
C8 C9 C10 C11 -4.8(17) . . . . ?
C9 C10 C11 N1 2.2(12) . . . . ?
C9 C10 C11 C1 -177.3(9) . . . . ?
C11 N1 C7 C6 178.8(7) . . . . ?
C11 N1 C7 C8 -0.3(11) . . . . ?
C12 N4 C3 C2 73.9(8) . . . . ?
C12 N4 C4 C5 -79.1(8) . . . . ?
C13 N5 C14 C15 62.4(7) . . . . ?
C14 N5 C13 C12 -178.7(5) . . . . ?
C14 C15 C16 C17 -177.2(6) . . . . ?
C15 N6 C19 C18 -0.8(7) . . . . ?
C15 N6 C19 C20 -178.6(4) . . . . ?
C15 C16 C17 C18 -1.0(8) . . . . ?
C16 C17 C18 C19 -2.1(8) . . . . ?
C17 C18 C19 N6 3.2(7) . . . . ?
C17 C18 C19 C20 -179.1(5) . . . . ?
C18 C19 C20 N11 150.7(4) . . . . ?
C19 N6 C15 C14 178.1(5) . . . . ?
C19 N6 C15 C16 -2.4(7) . . . . ?
C20 N11 C21 C22 -167.9(4) . . . . ?
C21 N11 C20 C19 163.2(4) . . . . ?
C22 N10 C25 C24 -73.6(5) . . . . ?
C22 N10 C26 C27 76.0(5) . . . . ?
C23 N8 C24 C25 -88.1(5) . . . . ?
C24 N8 C23 C33 83.2(5) . . . . ?
C25 N10 C22 C21 93.6(5) . . . . ?
C25 N10 C26 C27 -155.7(4) . . . . ?
C26 N10 C22 C21 -139.5(5) . . . . ?
C26 N10 C25 C24 159.8(4) . . . . ?
C27 N9 C28 C29 -91.9(5) . . . . ?
C28 N9 C27 C26 78.1(6) . . . . ?
C28 C29 C30 C31 179.4(6) . . . . ?
C29 N7 C33 C23 -176.4(4) . . . . ?
C29 N7 C33 C32 0.5(7) . . . . ?
C29 C30 C31 C32 0.1(11) . . . . ?
C30 C31 C32 C33 0.0(11) . . . . ?
C31 C32 C33 N7 -0.2(9) . . . . ?
C31 C32 C33 C23 176.3(6) . . . . ?
C33 N7 C29 C28 -179.7(4) . . . . ?
C33 N7 C29 C30 -0.5(7) . . . . ?

_olex2_date_sample_completion    2010-06-12
_olex2_date_sample_data_collection 2010-06-11
_olex2_date_sample_submission    2010-06-11
_olex2_submission_original_sample_id pypzn
_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT242_pypzn               
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Cl5 Check 
RESPONSE: We believe that this is a false positive due to the presence of
a highlyl disordered sodium atom on one side and a tightly coordinated
zinc atom on the other side. 
;
_vrf_PLAT260_pypzn               
;
PROBLEM: Large Average Ueq of Residue Including       Cl1      0.333 Check 
RESPONSE: This atom belongs to a highly disordered moiety. Perchlorate
 ions are by nature very disordered. Some restraints have been used
 (DELU and ISOR) but applied softly. Still the alert persists but we prefer
 to leave it as it is.
;
_vrf_PLAT910_pypzn               
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)          15 Note  
RESPONSE: The number of reflections missing is low and does not compromise
the final structure achieved.
;
