#------------------------------------------------------------------------------
#$Date: 2016-04-05 18:16:06 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181591 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/42/7224256.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_7224256
loop_
_publ_author_name
'Fernandez-Palacio, Francisco'
'Saccone, Marco'
'Priimagi, Arri'
'Terraneo, Giancarlo'
'Pilati, Tullio'
'Metrangolo, Pierangelo'
'Resnati, Giuseppe'
_publ_section_title
;
 Coordination networks incorporating halogen-bond donor sites and
 azobenzene groups
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              2251
_journal_paper_doi               10.1039/C6CE00059B
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety
'2(C16 H11 I3 N3 O4 1-), 2(C10 H8 N2), Zn 2+, 2(C3 H7 N O)'
_chemical_formula_sum            'C58 H52 I6 N12 O10 Zn'
_chemical_formula_weight         1903.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-01-04 deposited with the CCDC.
2016-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.893(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.0554(18)
_cell_length_b                   11.3346(9)
_cell_length_c                   22.9563(18)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      31.45
_cell_measurement_theta_min      2.24
_cell_volume                     6184.0(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, L.J. (1997) Jour. Appl. Cryst. 30, 565)
Mercury (Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., 
Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). 
J. Appl. Cryst. 39, 453-457
;
_computing_publication_material  SHELXL
_computing_structure_refinement
;
SHELXL (Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122)
;
_computing_structure_solution
;
SHELXS (Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122)
;
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            58923
_diffrn_reflns_theta_full        31.51
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0.00
_exptl_absorpt_coefficient_mu    3.461
_exptl_absorpt_correction_T_max  0.5769
_exptl_absorpt_correction_T_min  0.4380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.045
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.721
_refine_diff_density_min         -3.648
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         10264
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0528P)²+112.7417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                8277
_reflns_number_total             10264
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce00059b2.cif
_cod_data_source_block           ico84_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_refine_ls_hydrogen_treatment' value 'NOREF' changed to 'noref'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224255--7224257.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7224256
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.0000 0.87144(4) 0.2500 0.01061(10) Uani 1 2 d S . .
I1A I 0.131991(11) 0.64677(2) 0.375914(12) 0.02341(6) Uani 0.9306(5) 1 d PD A 1
I2A I 0.372479(12) 0.79272(3) 0.403937(14) 0.03106(7) Uani 0.9306(5) 1 d PD A 1
I3A I 0.212699(10) 0.96517(2) 0.193184(10) 0.01226(4) Uani 0.9306(5) 1 d PD A 1
O1A O 0.08932(9) 0.87660(19) 0.26790(10) 0.0097(4) Uani 0.9306(5) 1 d PDU A 1
O2A O 0.11609(10) 0.7281(2) 0.21404(10) 0.0121(4) Uani 0.9306(5) 1 d PDU A 1
O3A O 0.35910(11) 0.9284(2) 0.26128(12) 0.0203(5) Uani 0.9306(5) 1 d PDU A 1
O4A O 0.31761(11) 1.0649(2) 0.31067(12) 0.0165(5) Uani 0.9306(5) 1 d PDU A 1
H4A H 0.3402 1.1115 0.2982 0.025 Uiso 0.9306(5) 1 calc PR A 1
N1A N 0.25903(13) 0.6690(2) 0.42834(12) 0.0165(6) Uani 0.9306(5) 1 d PDU A 1
N2A N 0.28098(12) 0.5706(2) 0.42422(11) 0.0145(6) Uani 0.9306(5) 1 d PDU A 1
N3A N 0.32674(15) 0.2923(3) 0.62532(12) 0.0214(7) Uani 0.9306(5) 1 d PDU A 1
C1A C 0.18274(11) 0.8053(2) 0.29121(12) 0.0085(5) Uani 0.9306(5) 1 d PDU A 1
C2A C 0.19482(12) 0.7398(3) 0.34299(13) 0.0106(6) Uani 0.9306(5) 1 d PDU A 1
C3A C 0.24879(12) 0.7344(3) 0.37440(13) 0.0111(6) Uani 0.9306(5) 1 d PDU A 1
C4A C 0.29124(12) 0.8017(3) 0.35577(12) 0.0121(6) Uani 0.9306(5) 1 d PDU A 1
C5A C 0.27978(10) 0.8750(2) 0.30666(12) 0.0108(6) Uani 0.9306(5) 1 d PDU A 1
C6A C 0.22590(11) 0.8725(2) 0.27362(12) 0.0099(5) Uani 0.9306(5) 1 d PDU A 1
C7A C 0.29102(4) 0.5036(2) 0.47581(13) 0.0149(6) Uani 0.9306(5) 1 d PDU A 1
C8A C 0.28418(4) 0.5473(2) 0.53043(12) 0.0187(7) Uani 0.9306(5) 1 d PDU A 1
H8A H 0.2716 0.6261 0.5337 0.022 Uiso 0.9306(5) 1 calc PR A 1
C9A C 0.29540(7) 0.4778(2) 0.58021(14) 0.0217(8) Uani 0.9306(5) 1 d PDU A 1
H9A H 0.2904 0.5094 0.6174 0.026 Uiso 0.9306(5) 1 calc PR A 1
C10A C 0.31414(10) 0.3605(3) 0.57662(13) 0.0185(7) Uani 0.9306(5) 1 d PDU A 1
C11A C 0.32101(11) 0.3161(3) 0.52081(14) 0.0233(8) Uani 0.9306(5) 1 d PDU A 1
H11A H 0.3335 0.2372 0.5173 0.028 Uiso 0.9306(5) 1 calc PR A 1
C12A C 0.30976(10) 0.3859(2) 0.47138(14) 0.0210(7) Uani 0.9306(5) 1 d PDU A 1
H12A H 0.3146 0.3549 0.4340 0.025 Uiso 0.9306(5) 1 calc PR A 1
C13A C 0.12459(11) 0.8025(2) 0.25437(12) 0.0092(5) Uani 0.9306(5) 1 d PDU A 1
C14A C 0.31956(18) 0.3372(3) 0.68290(15) 0.0226(8) Uani 0.9306(5) 1 d PDU A 1
H14A H 0.3421 0.4089 0.6915 0.034 Uiso 0.9306(5) 1 calc PR A 1
H14B H 0.3319 0.2774 0.7130 0.034 Uiso 0.9306(5) 1 calc PR A 1
H14C H 0.2798 0.3556 0.6831 0.034 Uiso 0.9306(5) 1 calc PR A 1
C15A C 0.3481(2) 0.1731(3) 0.62128(19) 0.0333(10) Uani 0.9306(5) 1 d PDU A 1
H15A H 0.3180 0.1224 0.6012 0.050 Uiso 0.9306(5) 1 calc PR A 1
H15B H 0.3609 0.1425 0.6610 0.050 Uiso 0.9306(5) 1 calc PR A 1
H15C H 0.3796 0.1740 0.5989 0.050 Uiso 0.9306(5) 1 calc PR A 1
C16A C 0.32418(11) 0.9592(3) 0.29009(13) 0.0143(6) Uani 0.9306(5) 1 d PDU A 1
I1B I 0.13953(16) 0.6148(3) 0.37297(18) 0.02341(6) Uani 0.0694(5) 1 d PD A 2
I2B I 0.36728(15) 0.8391(4) 0.41983(19) 0.03106(7) Uani 0.0694(5) 1 d PD A 2
I3B I 0.20934(16) 0.9706(3) 0.19940(15) 0.01226(4) Uani 0.0694(5) 1 d PD A 2
O1B O 0.0908(4) 0.8653(13) 0.2770(8) 0.0097(4) Uani 0.0694(5) 1 d PD A 2
O2B O 0.1191(8) 0.7418(14) 0.2114(5) 0.0121(4) Uani 0.0694(5) 1 d PD A 2
O3B O 0.3585(4) 0.9275(15) 0.2682(7) 0.0203(5) Uani 0.0694(5) 1 d PD A 2
O4B O 0.3118(8) 1.0757(7) 0.3034(13) 0.0165(5) Uani 0.0694(5) 1 d PD A 2
H4B H 0.3056 1.0838 0.3382 0.025 Uiso 0.0694(5) 1 calc PR A 2
N1B N 0.2775(6) 0.6143(8) 0.4019(3) 0.0165(6) Uani 0.0694(5) 1 d PD A 2
N2B N 0.2735(7) 0.6201(6) 0.4546(2) 0.0145(6) Uani 0.0694(5) 1 d PD A 2
N3B N 0.3308(7) 0.2527(6) 0.6123(4) 0.0214(7) Uani 0.0694(5) 1 d PD A 2
C1B C 0.1848(3) 0.7959(8) 0.2945(4) 0.0085(5) Uani 0.0694(5) 1 d PD A 2
C2B C 0.2001(3) 0.7206(9) 0.3426(5) 0.0106(6) Uani 0.0694(5) 1 d PD A 2
C3B C 0.2553(3) 0.7193(7) 0.3713(5) 0.0111(6) Uani 0.0694(5) 1 d PD A 2
C4B C 0.2909(3) 0.8135(6) 0.3632(3) 0.0121(6) Uani 0.0694(5) 1 d PD A 2
C5B C 0.2778(2) 0.8853(7) 0.3134(3) 0.0108(6) Uani 0.0694(5) 1 d PD A 2
C6B C 0.2261(2) 0.8688(9) 0.2771(4) 0.0099(5) Uani 0.0694(5) 1 d PD A 2
C7B C 0.28977(4) 0.5299(3) 0.4944(3) 0.0149(6) Uani 0.0694(5) 1 d PD A 2
C8B C 0.29055(5) 0.5449(4) 0.5545(2) 0.0187(7) Uani 0.0694(5) 1 d PD A 2
H8B H 0.2794 0.6186 0.5686 0.022 Uiso 0.0694(5) 1 calc PR A 2
C9B C 0.30708(9) 0.4560(5) 0.5940(4) 0.0217(8) Uani 0.0694(5) 1 d PD A 2
H9B H 0.3072 0.4691 0.6349 0.026 Uiso 0.0694(5) 1 calc PR A 2
C10B C 0.32397(14) 0.3455(5) 0.5745(3) 0.0185(7) Uani 0.0694(5) 1 d PD A 2
C11B C 0.32324(16) 0.3299(6) 0.5135(3) 0.0233(8) Uani 0.0694(5) 1 d PD A 2
H11B H 0.3344 0.2563 0.4992 0.028 Uiso 0.0694(5) 1 calc PR A 2
C12B C 0.30657(14) 0.4197(5) 0.4742(4) 0.0210(7) Uani 0.0694(5) 1 d PD A 2
H12B H 0.3064 0.4074 0.4332 0.025 Uiso 0.0694(5) 1 calc PR A 2
C13B C 0.1256(3) 0.7940(13) 0.2599(5) 0.0092(5) Uani 0.0694(5) 1 d PD A 2
C14B C 0.3078(8) 0.2576(19) 0.6672(5) 0.0226(8) Uani 0.0694(5) 1 d PD A 2
H14D H 0.3234 0.3261 0.6902 0.034 Uiso 0.0694(5) 1 calc PR A 2
H14E H 0.3178 0.1854 0.6899 0.034 Uiso 0.0694(5) 1 calc PR A 2
H14F H 0.2668 0.2648 0.6585 0.034 Uiso 0.0694(5) 1 calc PR A 2
C15B C 0.3468(12) 0.1380(10) 0.5917(10) 0.0333(10) Uani 0.0694(5) 1 d PD A 2
H15D H 0.3132 0.0974 0.5716 0.050 Uiso 0.0694(5) 1 calc PR A 2
H15E H 0.3641 0.0907 0.6254 0.050 Uiso 0.0694(5) 1 calc PR A 2
H15F H 0.3738 0.1486 0.5642 0.050 Uiso 0.0694(5) 1 calc PR A 2
C16B C 0.3224(3) 0.9650(6) 0.2938(4) 0.0143(6) Uani 0.0694(5) 1 d PD A 2
N4 N -0.00085(11) 0.8994(2) 0.14791(12) 0.0133(5) Uani 1 1 d . A .
C17 C 0.04659(14) 0.9138(3) 0.12565(15) 0.0216(7) Uani 1 1 d . . .
H17 H 0.0811 0.8951 0.1500 0.026 Uiso 1 1 calc R A .
C18 C 0.04886(15) 0.9545(4) 0.06887(16) 0.0242(8) Uani 1 1 d . A .
H18 H 0.0842 0.9648 0.0559 0.029 Uiso 1 1 calc R . .
C19 C -0.00036(13) 0.9800(3) 0.03132(14) 0.0152(6) Uani 1 1 d . . .
C20 C -0.04999(15) 0.9661(4) 0.05431(16) 0.0274(9) Uani 1 1 d . A .
H20 H -0.0851 0.9836 0.0308 0.033 Uiso 1 1 calc R . .
C21 C -0.04830(15) 0.9268(4) 0.11155(16) 0.0238(8) Uani 1 1 d . . .
H21 H -0.0830 0.9187 0.1261 0.029 Uiso 1 1 calc R A .
N5 N 0.0000 0.6859(3) 0.2500 0.0110(7) Uani 1 2 d S . .
N6 N 0.0000 1.0605(3) 0.2500 0.0125(7) Uani 1 2 d S . .
C22 C 0.00606(13) 0.6239(3) 0.20141(14) 0.0139(6) Uani 1 1 d . . .
H22 H 0.0098 0.6660 0.1664 0.017 Uiso 1 1 calc R A .
C23 C 0.00710(14) 0.5019(3) 0.19989(15) 0.0156(6) Uani 1 1 d . A .
H23 H 0.0126 0.4617 0.1649 0.019 Uiso 1 1 calc R . .
C24 C 0.0000 0.4389(4) 0.2500 0.0130(8) Uani 1 2 d S . .
C25 C 0.0000 0.3083(3) 0.2500 0.0123(8) Uani 1 2 d S . .
C26A C 0.04168(14) 0.2440(3) 0.22737(16) 0.0169(7) Uani 0.959(5) 1 d P . 1
H26A H 0.0704 0.2836 0.2110 0.020 Uiso 0.959(5) 1 calc PR . 1
C27A C 0.04034(13) 1.1217(3) 0.22921(15) 0.0149(7) Uani 0.959(5) 1 d P . 1
H27A H 0.0695 1.0792 0.2150 0.018 Uiso 0.959(5) 1 calc PR . 1
C26B C 0.044(3) 0.258(7) 0.290(4) 0.0169(7) Uani 0.041(5) 1 d P . 2
H26B H 0.0734 0.3015 0.3124 0.020 Uiso 0.041(5) 1 calc PR . 2
C27B C 0.037(3) 1.125(6) 0.290(4) 0.0149(7) Uani 0.041(5) 1 d P . 2
H27B H 0.0603 1.0825 0.3204 0.018 Uiso 0.041(5) 1 calc PR . 2
O5 O 0.45051(19) -0.0123(4) 0.56876(18) 0.0555(11) Uani 1 1 d . . .
N7 N 0.43463(18) 0.1090(4) 0.4899(2) 0.0411(10) Uani 1 1 d . . .
C28 C 0.4224(3) 0.0180(5) 0.5220(2) 0.0467(14) Uani 1 1 d . . .
H28 H 0.3897 -0.0266 0.5078 0.056 Uiso 1 1 calc R . .
C29 C 0.4033(3) 0.1336(5) 0.4317(2) 0.0481(14) Uani 1 1 d . . .
H29A H 0.4260 0.1113 0.4015 0.072 Uiso 1 1 calc R . .
H29B H 0.3945 0.2180 0.4284 0.072 Uiso 1 1 calc R . .
H29C H 0.3683 0.0880 0.4261 0.072 Uiso 1 1 calc R . .
C30 C 0.4794(3) 0.1835(6) 0.5130(4) 0.084(2) Uani 1 1 d . . .
H30A H 0.4967 0.1542 0.5517 0.125 Uiso 1 1 calc R . .
H30B H 0.4651 0.2636 0.5171 0.125 Uiso 1 1 calc R . .
H30C H 0.5074 0.1848 0.4863 0.125 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'
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'
I I -0.4742 1.8119 '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
N5 Zn1 O1A 91.58(6) . 2
N5 Zn1 O1A 91.58(6) . .
O1A Zn1 O1A 176.84(12) 2 .
N5 Zn1 N6 180.000(1) . .
O1A Zn1 N6 88.42(6) 2 .
O1A Zn1 N6 88.42(6) . .
N5 Zn1 O1B 88.2(4) . .
O1A Zn1 O1B 174.7(5) 2 .
O1A Zn1 O1B 6.3(5) . .
N6 Zn1 O1B 91.8(4) . .
N5 Zn1 O1B 88.2(4) . 2
O1A Zn1 O1B 6.3(5) 2 2
O1A Zn1 O1B 174.7(5) . 2
N6 Zn1 O1B 91.8(4) . 2
O1B Zn1 O1B 176.4(8) . 2
N5 Zn1 N4 97.71(6) . 2
O1A Zn1 N4 92.38(9) 2 2
O1A Zn1 N4 87.20(9) . 2
N6 Zn1 N4 82.29(6) . 2
O1B Zn1 N4 82.4(5) . 2
O1B Zn1 N4 98.1(5) 2 2
N5 Zn1 N4 97.70(6) . .
O1A Zn1 N4 87.20(9) 2 .
O1A Zn1 N4 92.38(9) . .
N6 Zn1 N4 82.30(6) . .
O1B Zn1 N4 98.1(5) . .
O1B Zn1 N4 82.4(5) 2 .
N4 Zn1 N4 164.59(13) 2 .
C13A O1A Zn1 129.07(19) . .
C16A O4A H4A 109.5 . .
N2A N1A C3A 114.6(3) . .
N1A N2A C7A 116.3(3) . .
C10A N3A C14A 120.6(3) . .
C10A N3A C15A 120.9(3) . .
C14A N3A C15A 118.5(3) . .
C2A C1A C6A 118.1(2) . .
C2A C1A C13A 121.1(2) . .
C6A C1A C13A 120.8(2) . .
C3A C2A C1A 121.5(3) . .
C3A C2A I1A 117.6(2) . .
C1A C2A I1A 120.9(2) . .
C2A C3A C4A 119.2(3) . .
C2A C3A N1A 119.7(3) . .
C4A C3A N1A 120.8(3) . .
C5A C4A C3A 120.8(2) . .
C5A C4A I2A 120.5(2) . .
C3A C4A I2A 118.7(2) . .
C4A C5A C6A 118.6(2) . .
C4A C5A C16A 121.1(2) . .
C6A C5A C16A 120.3(2) . .
C1A C6A C5A 121.5(2) . .
C1A C6A I3A 120.50(18) . .
C5A C6A I3A 117.9(2) . .
C8A C7A N2A 123.0(2) . .
C8A C7A C12A 119.1(2) . .
N2A C7A C12A 117.8(3) . .
C9A C8A C7A 120.7(2) . .
C9A C8A H8A 119.6 . .
C7A C8A H8A 119.6 . .
C8A C9A C10A 120.9(3) . .
C8A C9A H9A 119.6 . .
C10A C9A H9A 119.6 . .
N3A C10A C11A 120.3(3) . .
N3A C10A C9A 121.5(3) . .
C11A C10A C9A 118.2(3) . .
C12A C11A C10A 120.6(3) . .
C12A C11A H11A 119.7 . .
C10A C11A H11A 119.7 . .
C11A C12A C7A 120.4(3) . .
C11A C12A H12A 119.8 . .
C7A C12A H12A 119.8 . .
O2A C13A O1A 126.3(3) . .
O2A C13A C1A 117.3(2) . .
O1A C13A C1A 116.4(2) . .
N3A C14A H14A 109.5 . .
N3A C14A H14B 109.5 . .
H14A C14A H14B 109.5 . .
N3A C14A H14C 109.5 . .
H14A C14A H14C 109.5 . .
H14B C14A H14C 109.5 . .
N3A C15A H15A 109.5 . .
N3A C15A H15B 109.5 . .
H15A C15A H15B 109.5 . .
N3A C15A H15C 109.5 . .
H15A C15A H15C 109.5 . .
H15B C15A H15C 109.5 . .
O3A C16A O4A 126.9(3) . .
O3A C16A C5A 122.3(3) . .
O4A C16A C5A 110.8(2) . .
C13B O1B Zn1 127.8(9) . .
C16B O4B H4B 109.5 . .
N2B N1B C3B 110.8(9) . .
N1B N2B C7B 123.5(7) . .
C10B N3B C14B 120.0(10) . .
C10B N3B C15B 119.8(10) . .
C14B N3B C15B 118.1(11) . .
C6B C1B C2B 118.3(5) . .
C6B C1B C13B 120.5(7) . .
C2B C1B C13B 121.0(7) . .
C3B C2B C1B 119.8(6) . .
C3B C2B I1B 120.1(6) . .
C1B C2B I1B 120.1(4) . .
C2B C3B C4B 119.3(6) . .
C2B C3B N1B 119.7(8) . .
C4B C3B N1B 120.5(7) . .
C3B C4B C5B 119.2(6) . .
C3B C4B I2B 121.2(5) . .
C5B C4B I2B 119.3(4) . .
C4B C5B C6B 118.4(5) . .
C4B C5B C16B 120.5(5) . .
C6B C5B C16B 120.4(5) . .
C1B C6B C5B 121.0(6) . .
C1B C6B I3B 120.9(4) . .
C5B C6B I3B 117.8(4) . .
C8B C7B N2B 121.6(4) . .
C8B C7B C12B 118.4(5) . .
N2B C7B C12B 120.0(6) . .
C9B C8B C7B 121.7(5) . .
C9B C8B H8B 119.1 . .
C7B C8B H8B 119.1 . .
C8B C9B C10B 120.6(7) . .
C8B C9B H9B 119.7 . .
C10B C9B H9B 119.7 . .
N3B C10B C11B 121.3(6) . .
N3B C10B C9B 119.8(6) . .
C11B C10B C9B 117.8(6) . .
C12B C11B C10B 121.1(7) . .
C12B C11B H11B 119.5 . .
C10B C11B H11B 119.5 . .
C11B C12B C7B 120.4(7) . .
C11B C12B H12B 119.8 . .
C7B C12B H12B 119.8 . .
O2B C13B O1B 125.5(11) . .
O2B C13B C1B 116.8(10) . .
O1B C13B C1B 116.0(9) . .
N3B C14B H14D 109.5 . .
N3B C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
N3B C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
N3B C15B H15D 109.5 . .
N3B C15B H15E 109.5 . .
H15D C15B H15E 109.5 . .
N3B C15B H15F 109.5 . .
H15D C15B H15F 109.5 . .
H15E C15B H15F 109.5 . .
O3B C16B O4B 126.8(11) . .
O3B C16B C5B 122.1(9) . .
O4B C16B C5B 110.8(9) . .
C17 N4 C21 115.5(3) . .
C17 N4 Zn1 121.4(2) . .
C21 N4 Zn1 121.6(2) . .
N4 C17 C18 124.1(3) . .
N4 C17 H17 118.0 . .
C18 C17 H17 118.0 . .
C19 C18 C17 119.9(3) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 116.3(3) . .
C18 C19 C19 121.4(4) . 5_575
C20 C19 C19 122.3(4) . 5_575
C21 C20 C19 119.9(3) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
N4 C21 C20 124.3(3) . .
N4 C21 H21 117.9 . .
C20 C21 H21 117.9 . .
C22 N5 C22 117.0(4) . 2
C22 N5 Zn1 121.49(18) . .
C22 N5 Zn1 121.49(18) 2 .
C27A N6 C27A 117.6(4) . 2
C27A N6 C27B 85(3) . 2
C27A N6 C27B 62(3) 2 2
C27A N6 C27B 62(3) . .
C27A N6 C27B 85(3) 2 .
C27B N6 C27B 117(6) 2 .
C27A N6 Zn1 121.19(19) . .
C27A N6 Zn1 121.19(19) 2 .
C27B N6 Zn1 122(3) 2 .
C27B N6 Zn1 122(3) . .
N5 C22 C23 123.2(3) . .
N5 C22 H22 118.4 . .
C23 C22 H22 118.4 . .
C22 C23 C24 119.3(3) . .
C22 C23 H23 120.4 . .
C24 C23 H23 120.4 . .
C23 C24 C23 118.0(4) 2 .
C23 C24 C25 121.0(2) 2 .
C23 C24 C25 121.0(2) . .
C26B C25 C26B 132(6) 2 .
C26B C25 C26A 94(3) 2 .
C26B C25 C26A 61(3) . .
C26B C25 C26A 61(3) 2 2
C26B C25 C26A 94(3) . 2
C26A C25 C26A 117.4(4) . 2
C26B C25 C24 114(3) 2 .
C26B C25 C24 114(3) . .
C26A C25 C24 121.32(19) . .
C26A C25 C24 121.32(19) 2 .
C27A C26A C25 119.1(3) 1_545 .
C27A C26A H26A 120.4 1_545 .
C25 C26A H26A 120.4 . .
N6 C27A C26A 123.3(3) . 1_565
N6 C27A H27A 118.3 . .
C26A C27A H27A 118.3 1_565 .
C25 C26B C27B 110(6) . 1_545
C25 C26B H26B 125.1 . .
C27B C26B H26B 125.1 1_545 .
N6 C27B C26B 125(6) . 1_565
N6 C27B H27B 117.5 . .
C26B C27B H27B 117.5 1_565 .
C28 N7 C30 118.6(5) . .
C28 N7 C29 122.1(5) . .
C30 N7 C29 119.3(5) . .
O5 C28 N7 124.5(5) . .
O5 C28 H28 117.8 . .
N7 C28 H28 117.8 . .
N7 C29 H29A 109.5 . .
N7 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N7 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N7 C30 H30A 109.5 . .
N7 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N7 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N5 2.103(3) .
Zn1 O1A 2.125(2) 2
Zn1 O1A 2.125(2) .
Zn1 N6 2.143(4) .
Zn1 O1B 2.178(10) .
Zn1 O1B 2.178(10) 2
Zn1 N4 2.362(3) 2
Zn1 N4 2.362(3) .
I1A C2A 2.079(3) .
I2A C4A 2.094(3) .
I3A C6A 2.106(3) .
O1A C13A 1.266(3) .
O2A C13A 1.246(4) .
O3A C16A 1.198(4) .
O4A C16A 1.306(4) .
O4A H4A 0.8400 .
N1A N2A 1.243(4) .
N1A C3A 1.432(4) .
N2A C7A 1.397(4) .
N3A C10A 1.354(4) .
N3A C14A 1.451(4) .
N3A C15A 1.454(5) .
C1A C2A 1.394(4) .
C1A C6A 1.396(4) .
C1A C13A 1.519(4) .
C2A C3A 1.386(4) .
C3A C4A 1.394(4) .
C4A C5A 1.393(4) .
C5A C6A 1.397(3) .
C5A C16A 1.524(4) .
C7A C8A 1.382(4) .
C7A C12A 1.417(4) .
C8A C9A 1.380(4) .
C8A H8A 0.9500 .
C9A C10A 1.411(4) .
C9A H9A 0.9500 .
C10A C11A 1.410(4) .
C11A C12A 1.375(4) .
C11A H11A 0.9500 .
C12A H12A 0.9500 .
C14A H14A 0.9800 .
C14A H14B 0.9800 .
C14A H14C 0.9800 .
C15A H15A 0.9800 .
C15A H15B 0.9800 .
C15A H15C 0.9800 .
I1B C2B 2.088(7) .
I2B C4B 2.101(6) .
I3B C6B 2.110(7) .
O1B C13B 1.268(9) .
O2B C13B 1.248(9) .
O3B C16B 1.198(9) .
O4B C16B 1.306(8) .
O4B H4B 0.8400 .
N1B N2B 1.230(8) .
N1B C3B 1.441(8) .
N2B C7B 1.387(6) .
N3B C10B 1.358(7) .
N3B C14B 1.453(10) .
N3B C15B 1.455(9) .
C1B C6B 1.397(7) .
C1B C2B 1.399(8) .
C1B C13B 1.520(7) .
C2B C3B 1.389(7) .
C3B C4B 1.398(7) .
C4B C5B 1.399(7) .
C5B C6B 1.399(7) .
C5B C16B 1.524(5) .
C7B C8B 1.386(7) .
C7B C12B 1.414(6) .
C8B C9B 1.373(7) .
C8B H8B 0.9500 .
C9B C10B 1.411(7) .
C9B H9B 0.9500 .
C10B C11B 1.409(8) .
C11B C12B 1.378(8) .
C11B H11B 0.9500 .
C12B H12B 0.9500 .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
C15B H15D 0.9800 .
C15B H15E 0.9800 .
C15B H15F 0.9800 .
N4 C17 1.331(4) .
N4 C21 1.342(4) .
C17 C18 1.392(5) .
C17 H17 0.9500 .
C18 C19 1.383(5) .
C18 H18 0.9500 .
C19 C20 1.387(5) .
C19 C19 1.511(6) 5_575
C20 C21 1.382(5) .
C20 H20 0.9500 .
C21 H21 0.9500 .
N5 C22 1.345(4) .
N5 C22 1.345(4) 2
N6 C27A 1.339(4) .
N6 C27A 1.339(4) 2
N6 C27B 1.39(8) 2
N6 C27B 1.39(8) .
C22 C23 1.384(4) .
C22 H22 0.9500 .
C23 C24 1.387(4) .
C23 H23 0.9500 .
C24 C23 1.387(4) 2
C24 C25 1.480(6) .
C25 C26B 1.40(8) 2
C25 C26B 1.40(8) .
C25 C26A 1.403(4) .
C25 C26A 1.403(4) 2
C26A C27A 1.387(4) 1_545
C26A H26A 0.9500 .
C27A C26A 1.387(4) 1_565
C27A H27A 0.9500 .
C26B C27B 1.52(10) 1_545
C26B H26B 0.9500 .
C27B C26B 1.52(10) 1_565
C27B H27B 0.9500 .
O5 C28 1.226(7) .
N7 C28 1.326(7) .
N7 C30 1.406(8) .
N7 C29 1.455(7) .
C28 H28 0.9500 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
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_4
N5 Zn1 O1A C13A 28.7(2) . .
O1A Zn1 O1A C13A -151.3(2) 2 .
N6 Zn1 O1A C13A -151.3(2) . .
O1B Zn1 O1A C13A 86(3) . .
O1B Zn1 O1A C13A -59(4) 2 .
N4 Zn1 O1A C13A 126.4(3) 2 .
N4 Zn1 O1A C13A -69.1(3) . .
C3A N1A N2A C7A -179.3(2) . .
C6A C1A C2A C3A -4.2(4) . .
C13A C1A C2A C3A 174.8(3) . .
C6A C1A C2A I1A 175.6(2) . .
C13A C1A C2A I1A -5.3(4) . .
C1A C2A C3A C4A 3.9(5) . .
I1A C2A C3A C4A -175.9(2) . .
C1A C2A C3A N1A 178.1(3) . .
I1A C2A C3A N1A -1.7(4) . .
N2A N1A C3A C2A 102.3(4) . .
N2A N1A C3A C4A -83.6(4) . .
C2A C3A C4A C5A 0.9(4) . .
N1A C3A C4A C5A -173.2(3) . .
C2A C3A C4A I2A 179.9(2) . .
N1A C3A C4A I2A 5.8(4) . .
C3A C4A C5A C6A -5.1(4) . .
I2A C4A C5A C6A 175.9(2) . .
C3A C4A C5A C16A 173.0(3) . .
I2A C4A C5A C16A -6.0(4) . .
C2A C1A C6A C5A -0.2(4) . .
C13A C1A C6A C5A -179.3(3) . .
C2A C1A C6A I3A 176.0(2) . .
C13A C1A C6A I3A -3.1(4) . .
C4A C5A C6A C1A 4.8(4) . .
C16A C5A C6A C1A -173.3(3) . .
C4A C5A C6A I3A -171.5(2) . .
C16A C5A C6A I3A 10.4(4) . .
N1A N2A C7A C8A -8.1(3) . .
N1A N2A C7A C12A 172.7(2) . .
N2A C7A C8A C9A -179.12(18) . .
C12A C7A C8A C9A 0.02(11) . .
C7A C8A C9A C10A 0.04(12) . .
C14A N3A C10A C11A -179.7(3) . .
C15A N3A C10A C11A 0.7(5) . .
C14A N3A C10A C9A 2.0(5) . .
C15A N3A C10A C9A -177.6(3) . .
C8A C9A C10A N3A 178.2(2) . .
C8A C9A C10A C11A -0.1(2) . .
N3A C10A C11A C12A -178.2(3) . .
C9A C10A C11A C12A 0.1(3) . .
C10A C11A C12A C7A -0.1(3) . .
C8A C7A C12A C11A 0.0(2) . .
N2A C7A C12A C11A 179.2(2) . .
Zn1 O1A C13A O2A 21.9(5) . .
Zn1 O1A C13A C1A -158.00(19) . .
C2A C1A C13A O2A -91.8(4) . .
C6A C1A C13A O2A 87.2(4) . .
C2A C1A C13A O1A 88.1(3) . .
C6A C1A C13A O1A -92.9(3) . .
C4A C5A C16A O3A 84.4(4) . .
C6A C5A C16A O3A -97.5(4) . .
C4A C5A C16A O4A -96.5(3) . .
C6A C5A C16A O4A 81.6(3) . .
N5 Zn1 O1B C13B 38.6(17) . .
O1A Zn1 O1B C13B 126(3) 2 .
O1A Zn1 O1B C13B -84(4) . .
N6 Zn1 O1B C13B -141.4(17) . .
O1B Zn1 O1B C13B 38.6(17) 2 .
N4 Zn1 O1B C13B 136.6(18) 2 .
N4 Zn1 O1B C13B -59.0(18) . .
C3B N1B N2B C7B 177.8(12) . .
C6B C1B C2B C3B -0.5(17) . .
C13B C1B C2B C3B 176.3(10) . .
C6B C1B C2B I1B 177.4(8) . .
C13B C1B C2B I1B -5.9(15) . .
C1B C2B C3B C4B 17.6(18) . .
I1B C2B C3B C4B -160.3(9) . .
C1B C2B C3B N1B -153.4(11) . .
I1B C2B C3B N1B 28.7(16) . .
N2B N1B C3B C2B -95.3(16) . .
N2B N1B C3B C4B 93.8(16) . .
C2B C3B C4B C5B -21.1(16) . .
N1B C3B C4B C5B 149.8(10) . .
C2B C3B C4B I2B 164.8(9) . .
N1B C3B C4B I2B -24.2(15) . .
C3B C4B C5B C6B 7.4(14) . .
I2B C4B C5B C6B -178.4(7) . .
C3B C4B C5B C16B -162.6(9) . .
I2B C4B C5B C16B 11.5(12) . .
C2B C1B C6B C5B -13.3(16) . .
C13B C1B C6B C5B 169.9(9) . .
C2B C1B C6B I3B 172.9(9) . .
C13B C1B C6B I3B -3.9(14) . .
C4B C5B C6B C1B 9.8(15) . .
C16B C5B C6B C1B 179.9(9) . .
C4B C5B C6B I3B -176.2(7) . .
C16B C5B C6B I3B -6.1(12) . .
N1B N2B C7B C8B 172.5(13) . .
N1B N2B C7B C12B -7(2) . .
N2B C7B C8B C9B -179.4(9) . .
C12B C7B C8B C9B 0.00(13) . .
C7B C8B C9B C10B 0.00(13) . .
C14B N3B C10B C11B -153.0(11) . .
C15B N3B C10B C11B 10(2) . .
C14B N3B C10B C9B 15.3(16) . .
C15B N3B C10B C9B 178.4(15) . .
C8B C9B C10B N3B -168.6(8) . .
C8B C9B C10B C11B 0.0(3) . .
N3B C10B C11B C12B 168.5(8) . .
C9B C10B C11B C12B 0.0(4) . .
C10B C11B C12B C7B 0.0(4) . .
C8B C7B C12B C11B 0.0(3) . .
N2B C7B C12B C11B 179.4(9) . .
Zn1 O1B C13B O2B 27(3) . .
Zn1 O1B C13B C1B -169.0(11) . .
C6B C1B C13B O2B 74.4(18) . .
C2B C1B C13B O2B -102.3(16) . .
C6B C1B C13B O1B -91.5(16) . .
C2B C1B C13B O1B 91.8(17) . .
C4B C5B C16B O3B 76.9(15) . .
C6B C5B C16B O3B -93.0(13) . .
C4B C5B C16B O4B -109.4(16) . .
C6B C5B C16B O4B 80.8(17) . .
N5 Zn1 N4 C17 -93.6(3) . .
O1A Zn1 N4 C17 175.2(3) 2 .
O1A Zn1 N4 C17 -1.7(3) . .
N6 Zn1 N4 C17 86.4(3) . .
O1B Zn1 N4 C17 -4.3(5) . .
O1B Zn1 N4 C17 179.3(5) 2 .
N4 Zn1 N4 C17 86.4(3) 2 .
N5 Zn1 N4 C21 101.0(3) . .
O1A Zn1 N4 C21 9.8(3) 2 .
O1A Zn1 N4 C21 -167.1(3) . .
N6 Zn1 N4 C21 -79.0(3) . .
O1B Zn1 N4 C21 -169.7(5) . .
O1B Zn1 N4 C21 13.9(5) 2 .
N4 Zn1 N4 C21 -79.0(3) 2 .
C21 N4 C17 C18 0.1(5) . .
Zn1 N4 C17 C18 -166.1(3) . .
N4 C17 C18 C19 -1.6(6) . .
C17 C18 C19 C20 2.0(6) . .
C17 C18 C19 C19 -177.7(4) . 5_575
C18 C19 C20 C21 -1.1(6) . .
C19 C19 C20 C21 178.6(4) 5_575 .
C17 N4 C21 C20 0.9(6) . .
Zn1 N4 C21 C20 167.1(3) . .
C19 C20 C21 N4 -0.4(7) . .
O1A Zn1 N5 C22 95.09(17) 2 .
O1A Zn1 N5 C22 -84.91(17) . .
N6 Zn1 N5 C22 106(100) . .
O1B Zn1 N5 C22 -90.2(5) . .
O1B Zn1 N5 C22 89.8(5) 2 .
N4 Zn1 N5 C22 -172.29(17) 2 .
N4 Zn1 N5 C22 7.71(17) . .
O1A Zn1 N5 C22 -84.90(17) 2 2
O1A Zn1 N5 C22 95.09(17) . 2
N6 Zn1 N5 C22 -74(100) . 2
O1B Zn1 N5 C22 89.8(5) . 2
O1B Zn1 N5 C22 -90.2(5) 2 2
N4 Zn1 N5 C22 7.71(17) 2 2
N4 Zn1 N5 C22 -172.29(17) . 2
N5 Zn1 N6 C27A -156(100) . .
O1A Zn1 N6 C27A -144.68(18) 2 .
O1A Zn1 N6 C27A 35.32(18) . .
O1B Zn1 N6 C27A 40.6(5) . .
O1B Zn1 N6 C27A -139.4(5) 2 .
N4 Zn1 N6 C27A 122.70(18) 2 .
N4 Zn1 N6 C27A -57.30(18) . .
N5 Zn1 N6 C27A 24(100) . 2
O1A Zn1 N6 C27A 35.32(18) 2 2
O1A Zn1 N6 C27A -144.68(18) . 2
O1B Zn1 N6 C27A -139.4(5) . 2
O1B Zn1 N6 C27A 40.6(5) 2 2
N4 Zn1 N6 C27A -57.29(18) 2 2
N4 Zn1 N6 C27A 122.71(18) . 2
N5 Zn1 N6 C27B -50(100) . 2
O1A Zn1 N6 C27B -39(4) 2 2
O1A Zn1 N6 C27B 141(4) . 2
O1B Zn1 N6 C27B 146(4) . 2
O1B Zn1 N6 C27B -34(4) 2 2
N4 Zn1 N6 C27B -132(4) 2 2
N4 Zn1 N6 C27B 48(4) . 2
N5 Zn1 N6 C27B 130(100) . .
O1A Zn1 N6 C27B 141(4) 2 .
O1A Zn1 N6 C27B -39(4) . .
O1B Zn1 N6 C27B -34(4) . .
O1B Zn1 N6 C27B 146(4) 2 .
N4 Zn1 N6 C27B 48(4) 2 .
N4 Zn1 N6 C27B -132(4) . .
C22 N5 C22 C23 -1.0(2) 2 .
Zn1 N5 C22 C23 179.0(2) . .
N5 C22 C23 C24 1.9(5) . .
C22 C23 C24 C23 -0.9(2) . 2
C22 C23 C24 C25 179.1(2) . .
C23 C24 C25 C26B 117(4) 2 2
C23 C24 C25 C26B -63(4) . 2
C23 C24 C25 C26B -63(4) 2 .
C23 C24 C25 C26B 117(4) . .
C23 C24 C25 C26A -132.4(2) 2 .
C23 C24 C25 C26A 47.6(2) . .
C23 C24 C25 C26A 47.6(2) 2 2
C23 C24 C25 C26A -132.4(2) . 2
C26B C25 C26A C27A -60(3) 2 1_545
C26B C25 C26A C27A 77(4) . 1_545
C26A C25 C26A C27A -1.0(2) 2 1_545
C24 C25 C26A C27A 179.0(2) . 1_545
C27A N6 C27A C26A -1.1(3) 2 1_565
C27B N6 C27A C26A 54(3) 2 1_565
C27B N6 C27A C26A -69(3) . 1_565
Zn1 N6 C27A C26A 178.9(3) . 1_565
C26B C25 C26B C27B -5(4) 2 1_545
C26A C25 C26B C27B -71(5) . 1_545
C26A C25 C26B C27B 48(6) 2 1_545
C24 C25 C26B C27B 175(4) . 1_545
C27A N6 C27B C26B 62(7) . 1_565
C27A N6 C27B C26B -62(7) 2 1_565
C27B N6 C27B C26B -6(5) 2 1_565
Zn1 N6 C27B C26B 174(5) . 1_565
C30 N7 C28 O5 -6.6(9) . .
C29 N7 C28 O5 173.3(6) . .
