# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1860161'
_audit_update_record             
;
2018-08-03 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H29 N7 O13 Zn2'
_chemical_formula_iupac          ?
_chemical_formula_weight         778.30

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.7622(12)
_cell_length_b                   14.6228(12)
_cell_length_c                   14.8907(13)
_cell_angle_alpha                90
_cell_angle_beta                 103.074(5)
_cell_angle_gamma                90
_cell_volume                     3131.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7478
_cell_measurement_theta_min      2.2400
_cell_measurement_theta_max      25.1101
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592

_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_T_max  0.75

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Sealed tube'
_diffrn_source_type              'Fine Focus'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  Graphite

_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'phi and omega scan'


_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            23697
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_theta_min         1.98
_diffrn_reflns_theta_max         25.29
_diffrn_reflns_theta_full        25.29
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16

_refine_special_details          
;
;

_reflns_number_total             5586
_reflns_number_gt                4829
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0746
_refine_ls_wR_factor_gt          0.2125
_refine_ls_wR_factor_ref         0.2206
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_number_reflns         5586
_refine_ls_number_parameters     414
_refine_ls_number_restraints     4
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1300P)²+22.8861P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.944
_refine_diff_density_min         -1.691
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2 (Bruker)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL (Bruker AXS)'
_computing_publication_material  'SHELXTL (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.43042(5) 0.41581(4) 0.70459(4) 0.0213(2) Uani d . . . 1 . .
Zn Zn2 -0.04737(6) 0.00595(6) 0.78712(7) 0.0429(3) Uani d . . . 1 . .
N N1 0.3535(4) 0.3905(4) 1.2363(3) 0.0276(11) Uani d . . . 1 . .
N N2 0.4521(3) 0.5179(3) 1.2258(3) 0.0234(11) Uani d . . . 1 . .
N N3 0.3540(3) 0.4576(3) 1.0892(3) 0.0243(11) Uani d . . . 1 . .
N N4 0.4377(4) 0.5897(3) 1.0849(3) 0.0260(11) Uani d . . . 1 . .
H H4 0.4782 0.6284 1.1167 0.031 Uiso calc U . R 1 . .
N N5 0.2763(4) 0.3224(3) 1.1037(3) 0.0262(11) Uani d . . . 1 . .
H H5B 0.2582 0.2855 1.1429 0.031 Uiso calc U . R 1 . .
N N6 0.0609(8) -0.1375(9) 0.5829(7) 0.121(2) Uani d . . D 1 . .
N N7 0.2626(4) 0.5859(4) 0.5145(5) 0.0450(16) Uani d . . . 1 . .
O O1 0.4406(3) 0.4622(3) 1.3617(3) 0.0339(11) Uani d . . . 1 . .
O O2 0.0392(4) 0.0936(4) 0.9429(4) 0.0451(13) Uani d . . . 1 . .
O O3 0.0357(4) 0.1117(4) 0.7972(4) 0.0546(16) Uani d . . . 1 . .
O O4 -0.1795(3) 0.0828(4) 0.7958(3) 0.0418(12) Uani d . . . 1 . .
O O5 -0.1526(3) 0.0165(3) 0.6732(4) 0.0418(13) Uani d . . . 1 . .
O O6 0.0368(7) -0.0786(7) 0.7248(8) 0.121(2) Uani d . . D 1 . .
O O14 0.9237(16) 0.9758(17) 0.5051(16) 0.126(7) Uiso d . P . 0.5 . .
O O8 -0.0639(4) -0.0955(4) 0.8696(4) 0.0510(14) Uani d . . . 1 . .
H H8A -0.1088 -0.1317 0.8429 0.076 Uiso d U . R 1 . .
H H8B -0.0831 -0.0748 0.9169 0.076 Uiso d U . R 1 . .
O O9 0.3653(3) 0.3881(3) 0.8022(3) 0.0275(9) Uani d . . . 1 . .
O O10 0.2458(3) 0.3402(3) 0.6930(3) 0.0264(9) Uani d . . . 1 . .
O O11 0.4609(3) 0.3146(3) 0.6313(3) 0.0258(9) Uani d . . . 1 . .
O O12 0.5327(4) 0.2677(3) 0.7718(3) 0.0356(11) Uani d . . . 1 . .
O O13 0.3663(3) 0.5087(3) 0.6187(3) 0.0362(11) Uani d . . . 1 . .
C C1 0.4139(4) 0.4547(4) 1.2716(4) 0.0256(13) Uani d . . . 1 . .
C C2 0.4139(4) 0.5192(4) 1.1329(4) 0.0226(12) Uani d . . . 1 . .
C C3 0.3304(4) 0.3922(4) 1.1419(4) 0.0222(12) Uani d . . . 1 . .
C C4 0.4061(4) 0.6097(4) 0.9897(4) 0.0228(12) Uani d . . . 1 . .
C C5 0.4596(4) 0.6689(4) 0.9502(4) 0.0243(12) Uani d . . . 1 . .
H H5A 0.5156 0.6934 0.9866 0.029 Uiso calc U . R 1 . .
C C6 0.4313(4) 0.6926(4) 0.8568(4) 0.0240(12) Uani d . . . 1 . .
C C7 0.3504(4) 0.6556(4) 0.8039(4) 0.0263(13) Uani d . . . 1 . .
H H7 0.3328 0.6688 0.7398 0.032 Uiso calc U . R 1 . .
C C8 0.2948(4) 0.5993(4) 0.8439(4) 0.0256(13) Uani d . . . 1 . .
C C9 0.3220(4) 0.5774(4) 0.9372(4) 0.0272(13) Uani d . . . 1 . .
H H9 0.283 0.5404 0.9651 0.033 Uiso calc U . R 1 . .
C C10 0.2443(4) 0.2995(4) 1.0100(4) 0.0240(12) Uani d . . . 1 . .
C C11 0.2816(4) 0.3357(4) 0.9400(4) 0.0229(12) Uani d . . . 1 . .
H H11 0.3313 0.3784 0.9537 0.028 Uiso calc U . R 1 . .
C C12 0.2453(4) 0.3087(4) 0.8495(4) 0.0226(12) Uani d . . . 1 . .
C C13 0.1740(4) 0.2445(4) 0.8287(4) 0.0264(13) Uani d . . . 1 . .
H H13 0.1493 0.2268 0.7666 0.032 Uiso calc U . R 1 . .
C C14 0.1393(4) 0.2063(4) 0.8998(4) 0.0273(13) Uani d . . . 1 . .
C C15 0.1745(4) 0.2344(4) 0.9891(4) 0.0279(13) Uani d . . . 1 . .
H H15 0.1505 0.2086 1.0375 0.034 Uiso calc U . R 1 . .
C C16 0.0661(5) 0.1326(5) 0.8805(5) 0.0341(15) Uani d . . . 1 . .
C C17 0.2873(4) 0.3479(4) 0.7757(4) 0.0230(12) Uani d . . . 1 . .
C C18 0.5170(4) 0.2617(4) 0.6866(4) 0.0252(13) Uani d . . . 1 . .
C C19 -0.2040(4) 0.0644(4) 0.7124(5) 0.0303(14) Uani d . . . 1 . .
C C20 0.0188(11) -0.0961(10) 0.6438(8) 0.121(2) Uani d . . D 1 . .
H H20 -0.0416 -0.0752 0.6145 0.145 Uiso calc U . R 1 . .
C C21 0.1411(9) -0.1643(12) 0.6525(10) 0.121(2) Uani d . . D 1 . .
H H21B 0.1224 -0.2082 0.6946 0.181 Uiso calc U . R 1 . .
H H21C 0.1684 -0.1102 0.6873 0.181 Uiso calc U . R 1 . .
H H21A 0.1872 -0.1926 0.6231 0.181 Uiso calc U . R 1 . .
C C22 0.0342(11) -0.1466(11) 0.4841(7) 0.121(2) Uani d . . D 1 . .
H H22C 0.0213 -0.211 0.4678 0.181 Uiso calc U . R 1 . .
H H22A 0.0849 -0.1249 0.4569 0.181 Uiso calc U . R 1 . .
H H22B -0.0218 -0.1101 0.4602 0.181 Uiso calc U . R 1 . .
C C23 0.2870(5) 0.5195(5) 0.5730(5) 0.0353(15) Uani d . . . 1 . .
H H23 0.2407 0.477 0.5807 0.042 Uiso calc U . R 1 . .
C C24 0.3297(6) 0.6535(7) 0.5008(8) 0.073(3) Uani d . . . 1 . .
H H24A 0.3763 0.6623 0.5585 0.109 Uiso calc U . R 1 . .
H H24B 0.2979 0.7116 0.4819 0.109 Uiso calc U . R 1 . .
H H24C 0.3605 0.6325 0.4527 0.109 Uiso calc U . R 1 . .
C C25 0.1658(7) 0.5995(8) 0.4642(9) 0.091(4) Uani d . . . 1 . .
H H25A 0.1606 0.5876 0.3985 0.136 Uiso calc U . R 1 . .
H H25B 0.147 0.6626 0.4726 0.136 Uiso calc U . R 1 . .
H H25C 0.1254 0.5572 0.4881 0.136 Uiso calc U . R 1 . .
C C26 0.4108(6) 0.3903(6) 1.4173(5) 0.0441(18) Uani d . . . 1 . .
H H1A 0.4283 0.3304 1.397 0.066 Uiso calc U . R 1 . .
H H1B 0.3432 0.3931 1.4098 0.066 Uiso calc U . R 1 . .
H H1C 0.4411 0.3995 1.4824 0.066 Uiso calc U . R 1 . .
O O15 0.0114(15) 0.7694(16) 0.3709(15) 0.120(7) Uiso d . P . 0.5 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 O11 . 1.951(4) ?
Zn1 O13 . 1.957(5) ?
Zn1 O9 . 1.958(4) ?
Zn1 N2 3_667 2.052(5) ?
Zn2 O3 . 1.958(5) ?
Zn2 O8 . 1.976(5) ?
Zn2 O5 . 2.030(5) ?
Zn2 O6 . 2.111(11) ?
Zn2 O4 . 2.279(5) ?
N1 C1 . 1.319(8) ?
N1 C3 . 1.370(7) ?
N2 C1 . 1.345(8) ?
N2 C2 . 1.371(7) ?
N2 Zn1 3_667 2.052(5) ?
N3 C2 . 1.326(8) ?
N3 C3 . 1.332(8) ?
N4 C2 . 1.346(8) ?
N4 C4 . 1.419(7) ?
N5 C3 . 1.340(8) ?
N5 C10 . 1.408(7) ?
N6 C20 . 1.352(2) ?
N6 C21 . 1.440(2) ?
N6 C22 . 1.442(2) ?
N7 C23 . 1.300(9) ?
N7 C24 . 1.446(10) ?
N7 C25 . 1.468(11) ?
O1 C1 . 1.314(7) ?
O1 C26 . 1.466(8) ?
O2 C16 . 1.229(9) ?
O3 C16 . 1.258(8) ?
O4 C19 . 1.243(8) ?
O5 C19 . 1.268(9) ?
O6 C20 . 1.203(2) ?
O9 C17 . 1.272(7) ?
O10 C17 . 1.250(7) ?
O11 C18 . 1.286(7) ?
O12 C18 . 1.240(7) ?
O13 C23 . 1.225(9) ?
C4 C5 . 1.389(9) ?
C4 C9 . 1.391(9) ?
C5 C6 . 1.403(8) ?
C6 C7 . 1.384(9) ?
C6 C18 2_656 1.497(8) ?
C7 C8 . 1.388(9) ?
C8 C9 . 1.395(9) ?
C8 C19 2_556 1.500(9) ?
C10 C15 . 1.385(8) ?
C10 C11 . 1.390(9) ?
C11 C12 . 1.389(8) ?
C12 C13 . 1.392(8) ?
C12 C17 . 1.493(8) ?
C13 C14 . 1.393(9) ?
C14 C15 . 1.377(9) ?
C14 C16 . 1.507(9) ?
C18 C6 2_646 1.497(8) ?
C19 C8 2_546 1.500(9) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O11 Zn1 O13 . . 107.46(19) ?
O11 Zn1 O9 . . 118.17(18) ?
O13 Zn1 O9 . . 112.5(2) ?
O11 Zn1 N2 . 3_667 111.42(19) ?
O13 Zn1 N2 . 3_667 103.3(2) ?
O9 Zn1 N2 . 3_667 102.97(19) ?
O3 Zn2 O8 . . 135.1(2) ?
O3 Zn2 O5 . . 110.6(2) ?
O8 Zn2 O5 . . 113.5(2) ?
O3 Zn2 O6 . . 94.3(3) ?
O8 Zn2 O6 . . 90.1(3) ?
O5 Zn2 O6 . . 95.3(3) ?
O3 Zn2 O4 . . 97.8(2) ?
O8 Zn2 O4 . . 96.2(2) ?
O5 Zn2 O4 . . 60.49(19) ?
O6 Zn2 O4 . . 155.5(3) ?
C1 N1 C3 . . 112.7(5) ?
C1 N2 C2 . . 113.4(5) ?
C1 N2 Zn1 . 3_667 118.1(4) ?
C2 N2 Zn1 . 3_667 127.6(4) ?
C2 N3 C3 . . 115.7(5) ?
C2 N4 C4 . . 128.4(5) ?
C3 N5 C10 . . 129.5(5) ?
C20 N6 C21 . . 93.8(12) ?
C20 N6 C22 . . 131.6(12) ?
C21 N6 C22 . . 134.5(13) ?
C23 N7 C24 . . 120.7(7) ?
C23 N7 C25 . . 122.1(7) ?
C24 N7 C25 . . 117.1(7) ?
C1 O1 C26 . . 117.3(5) ?
C16 O3 Zn2 . . 110.1(5) ?
C19 O4 Zn2 . . 84.1(4) ?
C19 O5 Zn2 . . 94.7(4) ?
C20 O6 Zn2 . . 123.2(10) ?
C17 O9 Zn1 . . 115.3(4) ?
C18 O11 Zn1 . . 107.1(3) ?
C23 O13 Zn1 . . 135.5(5) ?
O1 C1 N1 . . 119.1(5) ?
O1 C1 N2 . . 113.4(5) ?
N1 C1 N2 . . 127.5(5) ?
N3 C2 N4 . . 119.1(5) ?
N3 C2 N2 . . 124.2(5) ?
N4 C2 N2 . . 116.7(5) ?
N3 C3 N5 . . 120.4(5) ?
N3 C3 N1 . . 125.4(5) ?
N5 C3 N1 . . 114.1(5) ?
C5 C4 C9 . . 119.7(5) ?
C5 C4 N4 . . 117.4(5) ?
C9 C4 N4 . . 122.8(5) ?
C4 C5 C6 . . 120.2(5) ?
C7 C6 C5 . . 119.5(6) ?
C7 C6 C18 . 2_656 118.5(5) ?
C5 C6 C18 . 2_656 121.9(5) ?
C6 C7 C8 . . 120.4(5) ?
C7 C8 C9 . . 119.9(6) ?
C7 C8 C19 . 2_556 120.2(5) ?
C9 C8 C19 . 2_556 119.8(6) ?
C4 C9 C8 . . 120.0(6) ?
C15 C10 C11 . . 119.6(5) ?
C15 C10 N5 . . 116.9(5) ?
C11 C10 N5 . . 123.5(5) ?
C12 C11 C10 . . 119.2(5) ?
C11 C12 C13 . . 120.9(6) ?
C11 C12 C17 . . 118.1(5) ?
C13 C12 C17 . . 120.9(5) ?
C12 C13 C14 . . 119.4(6) ?
C15 C14 C13 . . 119.4(6) ?
C15 C14 C16 . . 119.7(6) ?
C13 C14 C16 . . 120.9(6) ?
C14 C15 C10 . . 121.5(6) ?
O2 C16 O3 . . 121.9(6) ?
O2 C16 C14 . . 121.9(6) ?
O3 C16 C14 . . 116.2(6) ?
O10 C17 O9 . . 123.6(5) ?
O10 C17 C12 . . 119.8(5) ?
O9 C17 C12 . . 116.5(5) ?
O12 C18 O11 . . 123.8(6) ?
O12 C18 C6 . 2_646 119.6(5) ?
O11 C18 C6 . 2_646 116.5(5) ?
O4 C19 O5 . . 120.6(6) ?
O4 C19 C8 . 2_546 120.4(6) ?
O5 C19 C8 . 2_546 118.9(6) ?
O6 C20 N6 . . 137.5(16) ?
O13 C23 N7 . . 123.6(7) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C26 O1 C1 N1 . . . . 8.1(9) ?
C26 O1 C1 N2 . . . . -173.4(6) ?
C3 N1 C1 O1 . . . . 178.5(6) ?
C3 N1 C1 N2 . . . . 0.3(10) ?
C2 N2 C1 O1 . . . . -170.6(5) ?
Zn1 N2 C1 O1 3_667 . . . 18.9(7) ?
C2 N2 C1 N1 . . . . 7.7(9) ?
Zn1 N2 C1 N1 3_667 . . . -162.8(5) ?
C3 N3 C2 N4 . . . . -177.1(6) ?
C3 N3 C2 N2 . . . . 0.9(9) ?
C4 N4 C2 N3 . . . . 0.8(10) ?
C4 N4 C2 N2 . . . . -177.3(6) ?
C1 N2 C2 N3 . . . . -8.3(9) ?
Zn1 N2 C2 N3 3_667 . . . 161.1(5) ?
C1 N2 C2 N4 . . . . 169.7(6) ?
Zn1 N2 C2 N4 3_667 . . . -20.8(8) ?
C2 N3 C3 N5 . . . . -174.5(6) ?
C2 N3 C3 N1 . . . . 8.6(9) ?
C10 N5 C3 N3 . . . . 7.1(10) ?
C10 N5 C3 N1 . . . . -175.7(6) ?
C1 N1 C3 N3 . . . . -9.2(9) ?
C1 N1 C3 N5 . . . . 173.8(5) ?
C2 N4 C4 C5 . . . . -161.2(6) ?
C2 N4 C4 C9 . . . . 23.1(10) ?
C9 C4 C5 C6 . . . . -3.0(9) ?
N4 C4 C5 C6 . . . . -178.9(5) ?
C4 C5 C6 C7 . . . . -0.9(9) ?
C4 C5 C6 C18 . . . 2_656 175.2(5) ?
C5 C6 C7 C8 . . . . 3.5(9) ?
C18 C6 C7 C8 2_656 . . . -172.8(5) ?
C6 C7 C8 C9 . . . . -2.1(9) ?
C6 C7 C8 C19 . . . 2_556 175.9(6) ?
C5 C4 C9 C8 . . . . 4.5(9) ?
N4 C4 C9 C8 . . . . -179.9(6) ?
C7 C8 C9 C4 . . . . -1.9(9) ?
C19 C8 C9 C4 2_556 . . . -180.0(6) ?
C3 N5 C10 C15 . . . . -167.5(6) ?
C3 N5 C10 C11 . . . . 15.2(10) ?
C15 C10 C11 C12 . . . . 2.7(9) ?
N5 C10 C11 C12 . . . . 179.9(6) ?
C10 C11 C12 C13 . . . . -1.6(9) ?
C10 C11 C12 C17 . . . . -179.4(5) ?
C11 C12 C13 C14 . . . . -0.5(9) ?
C17 C12 C13 C14 . . . . 177.2(5) ?
C12 C13 C14 C15 . . . . 1.6(9) ?
C12 C13 C14 C16 . . . . -176.4(6) ?
C13 C14 C15 C10 . . . . -0.4(10) ?
C16 C14 C15 C10 . . . . 177.5(6) ?
C11 C10 C15 C14 . . . . -1.7(10) ?
N5 C10 C15 C14 . . . . -179.1(6) ?
Zn2 O3 C16 O2 . . . . -4.9(9) ?
Zn2 O3 C16 C14 . . . . 173.5(5) ?
C15 C14 C16 O2 . . . . -3.0(10) ?
C13 C14 C16 O2 . . . . 174.9(6) ?
C15 C14 C16 O3 . . . . 178.6(7) ?
C13 C14 C16 O3 . . . . -3.5(10) ?
Zn1 O9 C17 O10 . . . . -12.2(7) ?
Zn1 O9 C17 C12 . . . . 167.7(4) ?
C11 C12 C17 O10 . . . . -165.7(5) ?
C13 C12 C17 O10 . . . . 16.5(8) ?
C11 C12 C17 O9 . . . . 14.3(8) ?
C13 C12 C17 O9 . . . . -163.5(5) ?
Zn1 O11 C18 O12 . . . . 11.9(7) ?
Zn1 O11 C18 C6 . . . 2_646 -165.0(4) ?
Zn2 O4 C19 O5 . . . . 2.7(6) ?
Zn2 O4 C19 C8 . . . 2_546 -176.7(6) ?
Zn2 O5 C19 O4 . . . . -3.1(7) ?
Zn2 O5 C19 C8 . . . 2_546 176.3(5) ?
Zn2 O6 C20 N6 . . . . 171.1(16) ?
C21 N6 C20 O6 . . . . 5.(3) ?
C22 N6 C20 O6 . . . . -173.2(19) ?
Zn1 O13 C23 N7 . . . . -174.8(5) ?
C24 N7 C23 O13 . . . . -0.9(13) ?
C25 N7 C23 O13 . . . . -176.8(10) ?



#===END

#
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact
RESPONSE: Hydrogen atoms of water molecules could not be added with convergence
of refinement.
;
