#------------------------------------------------------------------------------
#$Date: 2015-07-11 00:09:20 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143472 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/52/7035295.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_7035295
loop_
_publ_author_name
'Evans, Daniel A.'
'Lee, Lucia Myongwon'
'Vargas-Baca, Ignacio'
'Cowley, Alan H.'
_publ_section_title
;
 Photophysical tuning of the aggregation-induced emission of a series of
 para-substituted aryl bis(imino)acenaphthene zinc complexes.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11984
_journal_page_last               11996
_journal_paper_doi               10.1039/c5dt01529d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C72 H48 Cl4 N4 O4 Zn2, 0.742(C H2 Cl2)'
_chemical_formula_sum            'C72.74 H49.48 Cl5.48 N4 O4 Zn2'
_chemical_formula_weight         1369.38
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-04-22 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.238(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.442(7)
_cell_length_b                   11.790(5)
_cell_length_c                   31.054(15)
_cell_measurement_reflns_used    11595
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.1401
_cell_measurement_theta_min      1.5197
_cell_volume                     6190(5)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+ CCD'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            47397
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.855
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Abscor. T. Higashi. (2001). Rigaku Corp. Tokyo, Japan
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       chip
_exptl_crystal_F_000             2798
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.564
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         7097
_refine_ls_number_restraints     879
_refine_ls_restrained_S_all      1.236
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0897P)²+14.4254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1896
_refine_ls_wR_factor_ref         0.1962
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6447
_reflns_number_total             7097
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01529d2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035288--7035302.cif.
;
_cod_database_code               7035295
_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.
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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_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
C1 C 1.2777(2) 0.0163(3) 0.75977(14) 0.0394(8) Uani 1 1 d . U . . .
C2 C 1.2610(3) 0.1042(3) 0.79004(15) 0.0431(9) Uani 1 1 d . U . . .
C3 C 1.3012(3) 0.1502(4) 0.83008(17) 0.0522(11) Uani 1 1 d . U . . .
H3 H 1.3503 0.1222 0.8453 0.063 Uiso 1 1 calc R U . . .
C4 C 1.2649(4) 0.2418(4) 0.84726(19) 0.0629(13) Uani 1 1 d . U . . .
H4 H 1.2912 0.2725 0.8745 0.075 Uiso 1 1 calc R U . . .
C5 C 1.1943(3) 0.2868(4) 0.82630(19) 0.0606(12) Uani 1 1 d . U . . .
H5 H 1.1736 0.3468 0.8393 0.073 Uiso 1 1 calc R U . . .
C6 C 1.1516(3) 0.2435(4) 0.78484(18) 0.0545(11) Uani 1 1 d . U . . .
C7 C 1.1865(3) 0.1506(3) 0.76749(16) 0.0465(9) Uani 1 1 d . U . . .
C8 C 1.0788(3) 0.2817(4) 0.7585(2) 0.0593(12) Uani 1 1 d . U . . .
H8 H 1.0532 0.3414 0.7687 0.071 Uiso 1 1 calc R U . . .
C9 C 1.0444(3) 0.2338(4) 0.7183(2) 0.0584(12) Uani 1 1 d . U . . .
H9 H 0.9969 0.2631 0.7016 0.070 Uiso 1 1 calc R U . . .
C10 C 1.0796(3) 0.1397(4) 0.70112(19) 0.0526(11) Uani 1 1 d . U . . .
H10 H 1.0552 0.1074 0.6739 0.063 Uiso 1 1 calc R U . . .
C11 C 1.1507(2) 0.0984(3) 0.72601(15) 0.0441(9) Uani 1 1 d . U . . .
C12 C 1.2074(2) 0.0094(3) 0.72007(14) 0.0395(8) Uani 1 1 d . U . . .
C13 C 1.4026(3) -0.0569(3) 0.79799(14) 0.0405(8) Uani 1 1 d . U . . .
C14 C 1.4795(2) -0.0450(3) 0.79314(14) 0.0426(9) Uani 1 1 d . U . . .
H14 H 1.4881 -0.0331 0.7651 0.051 Uiso 1 1 calc R U . . .
C15 C 1.5432(3) -0.0509(4) 0.82984(15) 0.0480(10) Uani 1 1 d . U . . .
H15 H 1.5944 -0.0399 0.8268 0.058 Uiso 1 1 calc R U . . .
C16 C 1.5298(3) -0.0733(4) 0.87087(16) 0.0551(11) Uani 1 1 d . U . . .
C17 C 1.4533(3) -0.0909(4) 0.87569(16) 0.0604(12) Uani 1 1 d . U . . .
H17 H 1.4452 -0.1077 0.9035 0.072 Uiso 1 1 calc R U . . .
C18 C 1.3897(3) -0.0834(4) 0.83935(15) 0.0505(10) Uani 1 1 d . U . . .
H18 H 1.3386 -0.0959 0.8424 0.061 Uiso 1 1 calc R U . . .
C19 C 1.1449(2) -0.0853(4) 0.65219(14) 0.0437(9) Uani 1 1 d . U . . .
C20 C 1.0695(2) -0.1096(4) 0.65759(15) 0.0446(9) Uani 1 1 d . U . . .
H20 H 1.0602 -0.1086 0.6858 0.054 Uiso 1 1 calc R U . . .
C21 C 1.0086(3) -0.1353(4) 0.62109(16) 0.0500(10) Uani 1 1 d . U . . .
H21 H 0.9581 -0.1500 0.6247 0.060 Uiso 1 1 calc R U . . .
C22 C 1.0228(3) -0.1390(5) 0.57962(17) 0.0629(13) Uani 1 1 d . U . . .
C23 C 1.0980(4) -0.1186(7) 0.57381(19) 0.0829(19) Uani 1 1 d . U . . .
H23 H 1.1073 -0.1229 0.5456 0.099 Uiso 1 1 calc R U . . .
C24 C 1.1594(3) -0.0918(6) 0.61032(17) 0.0679(14) Uani 1 1 d . U . . .
H24 H 1.2099 -0.0783 0.6067 0.081 Uiso 1 1 calc R U . . .
C25 C 1.6590(3) -0.0207(5) 0.91524(17) 0.0547(16) Uani 0.773 1 d D U P A 1
C26 C 1.6595(3) 0.0906(5) 0.90145(16) 0.0551(14) Uani 0.773 1 d D U P A 1
H26 H 1.6137 0.1222 0.8837 0.066 Uiso 0.773 1 calc R U P A 1
C27 C 1.7272(3) 0.1556(5) 0.91377(18) 0.0674(17) Uani 0.773 1 d D U P A 1
H27 H 1.7270 0.2304 0.9042 0.081 Uiso 0.773 1 calc R U P A 1
C28 C 1.7955(3) 0.1092(6) 0.9404(2) 0.077(2) Uani 0.773 1 d D U P A 1
H28 H 1.8411 0.1529 0.9492 0.092 Uiso 0.773 1 calc R U P A 1
C29 C 1.7956(4) -0.0020(6) 0.9540(2) 0.095(3) Uani 0.773 1 d D U P A 1
H29 H 1.8416 -0.0338 0.9715 0.114 Uiso 0.773 1 calc R U P A 1
C36 C 1.7280(4) -0.0662(5) 0.9417(2) 0.085(2) Uani 0.773 1 d D U P A 1
H36 H 1.7284 -0.1410 0.9513 0.102 Uiso 0.773 1 calc R U P A 1
C25A C 1.6672(5) -0.0625(17) 0.9207(7) 0.068(5) Uani 0.227 1 d D U P B 2
C26A C 1.6860(9) 0.0450(15) 0.9104(6) 0.070(5) Uani 0.227 1 d D U P B 2
H26A H 1.6466 0.0959 0.8970 0.084 Uiso 0.227 1 calc R U P B 2
C27A C 1.7650(11) 0.0766(14) 0.9202(7) 0.081(6) Uani 0.227 1 d D U P B 2
H27A H 1.7790 0.1493 0.9133 0.097 Uiso 0.227 1 calc R U P B 2
C28A C 1.8227(7) 0.0000(18) 0.9400(7) 0.078(6) Uani 0.227 1 d D U P B 2
H28A H 1.8757 0.0212 0.9467 0.094 Uiso 0.227 1 calc R U P B 2
C29A C 1.8020(8) -0.1080(16) 0.9501(7) 0.088(6) Uani 0.227 1 d D U P B 2
H29A H 1.8410 -0.1596 0.9634 0.106 Uiso 0.227 1 calc R U P B 2
C36A C 1.7232(10) -0.1397(14) 0.9403(7) 0.077(5) Uani 0.227 1 d D U P B 2
H36A H 1.7087 -0.2123 0.9470 0.092 Uiso 0.227 1 calc R U P B 2
C30 C 0.9698(4) -0.2077(5) 0.50457(17) 0.0529(17) Uani 0.629 1 d D U P C 1
C31 C 0.9963(4) -0.3131(5) 0.4975(2) 0.0561(18) Uani 0.629 1 d D U P C 1
H31 H 1.0080 -0.3654 0.5206 0.067 Uiso 0.629 1 calc R U P C 1
C32 C 1.0060(5) -0.3427(6) 0.4556(2) 0.065(2) Uani 0.629 1 d D U P C 1
H32 H 1.0241 -0.4146 0.4507 0.077 Uiso 0.629 1 calc R U P C 1
C33 C 0.9889(7) -0.2659(8) 0.4221(2) 0.088(5) Uani 0.629 1 d D U P C 1
H33 H 0.9950 -0.2853 0.3941 0.105 Uiso 0.629 1 calc R U P C 1
C34 C 0.9621(7) -0.1582(7) 0.4295(3) 0.112(4) Uani 0.629 1 d D U P C 1
H34 H 0.9511 -0.1053 0.4065 0.135 Uiso 0.629 1 calc R U P C 1
C35 C 0.9518(6) -0.1298(6) 0.4708(3) 0.098(3) Uani 0.629 1 d D U P C 1
H35 H 0.9329 -0.0584 0.4757 0.118 Uiso 0.629 1 calc R U P C 1
C30A C 0.8940(4) -0.0958(7) 0.5275(3) 0.048(2) Uani 0.371 1 d D U P D 2
C31A C 0.8770(5) 0.0082(7) 0.5440(3) 0.049(2) Uani 0.371 1 d D U P D 2
H31A H 0.9164 0.0453 0.5667 0.058 Uiso 0.371 1 d R U P D 2
C32A C 0.8044(5) 0.0585(7) 0.5281(3) 0.057(3) Uani 0.371 1 d D U P D 2
H32A H 0.7932 0.1303 0.5398 0.068 Uiso 0.371 1 d R U P D 2
C33A C 0.7478(5) 0.0055(8) 0.4955(4) 0.071(3) Uani 0.371 1 d D U P D 2
H33A H 0.6970 0.0405 0.4846 0.085 Uiso 0.371 1 d R U P D 2
C34A C 0.7633(5) -0.0969(8) 0.4788(3) 0.059(3) Uani 0.371 1 d D U P D 2
H34A H 0.7237 -0.1334 0.4560 0.071 Uiso 0.371 1 d R U P D 2
C35A C 0.8361(6) -0.1480(7) 0.4946(3) 0.059(3) Uani 0.371 1 d D U P D 2
H35A H 0.8470 -0.2198 0.4829 0.071 Uiso 0.371 1 d R U P D 2
Cl1A Cl 0.9904(3) -0.3953(5) 0.48283(18) 0.0911(13) Uani 0.371 1 d . U P E 2
Cl2A Cl 0.9740(4) -0.2478(5) 0.4084(2) 0.0873(15) Uani 0.371 1 d . U P E 2
C1AA C 1.0329(10) -0.2780(16) 0.4622(5) 0.071(4) Uani 0.371 1 d . U P E 2
H1AA H 1.0859 -0.2955 0.4607 0.086 Uiso 0.371 1 d R U P E 2
H1AB H 1.0343 -0.2135 0.4812 0.086 Uiso 0.371 1 d R U P E 2
N1 N 1.33780(19) -0.0478(3) 0.75999(11) 0.0374(7) Uani 1 1 d . U . F 2
N2 N 1.20995(19) -0.0626(3) 0.68946(11) 0.0395(7) Uani 1 1 d . U . F 2
O1 O 1.5895(3) -0.0878(4) 0.90912(13) 0.0795(12) Uani 1 1 d D U . B 2
O2 O 0.9604(2) -0.1673(4) 0.54435(12) 0.0766(12) Uani 1 1 d D U . D 2
Cl1 Cl 1.33521(6) -0.32577(8) 0.71297(4) 0.0408(2) Uani 1 1 d . U . F 2
Cl2 Cl 1.38232(6) -0.06924(9) 0.65254(4) 0.0489(3) Uani 1 1 d . U . F 2
Zn1 Zn 1.32115(2) -0.14156(4) 0.70140(2) 0.03657(16) Uani 1 1 d . U . F 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 134.1(4) . .
N1 C1 C12 117.9(3) . .
C2 C1 C12 108.0(3) . .
C3 C2 C7 119.5(4) . .
C3 C2 C1 135.5(4) . .
C7 C2 C1 104.8(4) . .
C2 C3 C4 117.5(5) . .
C5 C4 C3 123.7(5) . .
C4 C5 C6 120.7(4) . .
C8 C6 C5 127.8(4) . .
C8 C6 C7 115.8(5) . .
C5 C6 C7 116.4(5) . .
C2 C7 C6 122.2(5) . .
C2 C7 C11 115.0(4) . .
C6 C7 C11 122.8(5) . .
C9 C8 C6 122.0(4) . .
C8 C9 C10 121.9(5) . .
C11 C10 C9 118.3(5) . .
C10 C11 C7 119.2(4) . .
C10 C11 C12 135.7(5) . .
C7 C11 C12 105.1(4) . .
N2 C12 C11 134.9(4) . .
N2 C12 C1 118.0(3) . .
C11 C12 C1 107.0(3) . .
C14 C13 C18 120.0(4) . .
C14 C13 N1 119.5(4) . .
C18 C13 N1 120.4(4) . .
C15 C14 C13 120.3(4) . .
C16 C15 C14 119.2(4) . .
C15 C16 O1 123.8(5) . .
C15 C16 C17 120.8(5) . .
O1 C16 C17 115.3(4) . .
C18 C17 C16 120.1(4) . .
C17 C18 C13 119.4(4) . .
C24 C19 C20 119.7(4) . .
C24 C19 N2 118.5(4) . .
C20 C19 N2 121.6(4) . .
C21 C20 C19 120.2(4) . .
C22 C21 C20 119.8(4) . .
C21 C22 O2 117.6(5) . .
C21 C22 C23 120.8(5) . .
O2 C22 C23 121.6(5) . .
C22 C23 C24 119.7(5) . .
C19 C24 C23 119.7(5) . .
C26 C25 C36 118.7(4) . .
C27 C26 C25 120.8(4) . .
C26 C27 C28 119.9(5) . .
C29 C28 C27 119.6(5) . .
C36 C29 C28 120.3(5) . .
C29 C36 C25 120.7(5) . .
O1 C25A C36A 122.3(14) . .
O1 C25A C26A 115.2(14) . .
C36A C25A C26A 122.5(5) . .
C25A C26A C27A 118.7(5) . .
C28A C27A C26A 119.9(6) . .
C27A C28A C29A 120.1(6) . .
C28A C29A C36A 120.1(5) . .
C25A C36A C29A 118.7(5) . .
C31 C30 C35 120.7(4) . .
C30 C31 C32 120.1(4) . .
C33 C32 C31 119.6(5) . .
C32 C33 C34 120.2(5) . .
C35 C34 C33 120.0(5) . .
C30 C35 C34 119.4(5) . .
C31A C30A C35A 118.6(5) . .
C31A C30A O2 128.0(7) . .
C35A C30A O2 112.7(7) . .
C32A C31A C30A 120.6(5) . .
C33A C32A C31A 119.3(7) 2_656 .
C33A C32A C33A 9.0(11) 2_656 .
C31A C32A C33A 119.9(5) . .
C33A C33A C32A 128(4) 2_656 2_656
C33A C33A C34A 111.0(14) 2_656 .
C32A C33A C34A 115.0(11) 2_656 .
C33A C33A C32A 43(3) 2_656 .
C32A C33A C32A 120.8(10) 2_656 .
C34A C33A C32A 120.4(5) . .
C33A C33A C34A 59.1(16) 2_656 2_656
C32A C33A C34A 125.0(11) 2_656 2_656
C34A C33A C34A 63.4(8) . 2_656
C32A C33A C34A 97.9(8) . 2_656
C33A C34A C35A 120.0(5) . .
C33A C34A C33A 9.9(8) . 2_656
C35A C34A C33A 113.1(7) . 2_656
C33A C34A C34A 62.2(5) . 2_656
C35A C34A C34A 98.2(7) . 2_656
C33A C34A C34A 54.4(7) 2_656 2_656
C34A C35A C30A 120.4(5) . .
Cl1A C1AA Cl2A 107.7(10) . .
C1 N1 C13 121.8(3) . .
C1 N1 Zn1 111.5(3) . .
C13 N1 Zn1 126.5(2) . .
C12 N2 C19 123.9(3) . .
C12 N2 Zn1 111.2(3) . .
C19 N2 Zn1 125.0(3) . .
C25A O1 C16 134.2(10) . .
C22 O2 C30A 124.0(5) . .
N1 Zn1 N2 81.01(13) . .
N1 Zn1 Cl1 113.17(10) . .
N2 Zn1 Cl1 121.74(10) . .
N1 Zn1 Cl2 113.81(9) . .
N2 Zn1 Cl2 106.63(10) . .
Cl1 Zn1 Cl2 115.80(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.291(5) .
C1 C2 1.476(5) .
C1 C12 1.513(6) .
C2 C3 1.379(7) .
C2 C7 1.424(7) .
C3 C4 1.421(6) .
C4 C5 1.352(8) .
C5 C6 1.414(8) .
C6 C8 1.406(8) .
C6 C7 1.422(6) .
C7 C11 1.426(7) .
C8 C9 1.367(8) .
C9 C10 1.432(6) .
C10 C11 1.378(7) .
C11 C12 1.484(5) .
C12 N2 1.284(5) .
C13 C14 1.394(6) .
C13 C18 1.393(6) .
C13 N1 1.423(6) .
C14 C15 1.384(6) .
C15 C16 1.376(6) .
C16 O1 1.384(6) .
C16 C17 1.396(7) .
C17 C18 1.377(7) .
C19 C24 1.386(6) .
C19 C20 1.396(6) .
C19 N2 1.433(6) .
C20 C21 1.383(6) .
C21 C22 1.371(7) .
C22 O2 1.382(6) .
C22 C23 1.387(8) .
C23 C24 1.391(8) .
C25 C26 1.381(6) .
C25 C36 1.388(6) .
C26 C27 1.381(6) .
C27 C28 1.386(7) .
C28 C29 1.376(7) .
C29 C36 1.375(7) .
C25A O1 1.348(8) .
C25A C36A 1.363(8) .
C25A C26A 1.367(8) .
C26A C27A 1.386(8) .
C27A C28A 1.380(8) .
C28A C29A 1.380(8) .
C29A C36A 1.384(8) .
C30 C31 1.362(7) .
C30 C35 1.372(7) .
C31 C32 1.398(7) .
C32 C33 1.355(7) .
C33 C34 1.391(8) .
C34 C35 1.380(7) .
C30A C31A 1.388(7) .
C30A C35A 1.391(8) .
C30A O2 1.423(6) .
C31A C32A 1.376(8) .
C32A C33A 1.194(14) 2_656
C32A C33A 1.378(8) .
C33A C33A 0.27(2) 2_656
C33A C32A 1.194(14) 2_656
C33A C34A 1.367(8) .
C33A C34A 1.487(14) 2_656
C34A C35A 1.381(8) .
C34A C33A 1.487(14) 2_656
C34A C34A 1.50(2) 2_656
Cl1A C1AA 1.762(19) .
Cl2A C1AA 1.768(18) .
N1 Zn1 2.087(3) .
N2 Zn1 2.100(3) .
Cl1 Zn1 2.2052(14) .
Cl2 Zn1 2.2278(12) .
