#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:04:04 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229489 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/74/7047439.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_7047439
loop_
_publ_author_name
'Zhang, Da-Shuai'
'Zhang, Yong-Zheng'
'Gao, Jun'
'Liu, Hui-Ling'
'Hu, Hui'
'Geng, Long-Long'
'Zhang, Xiuling'
'Li, Yun-Wu'
_publ_section_title
;
 Structure modulation from unstable to stable MOFs by regulating secondary
 N-donor ligands.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14025
_journal_page_last               14032
_journal_paper_doi               10.1039/c8dt02858c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C48 H37 N10 O8 Zn2'
_chemical_formula_sum            'C48 H37 N10 O8 Zn2'
_chemical_formula_weight         1012.61
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-03-31
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-04-20 deposited with the CCDC.
2018-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                95.447(6)
_cell_angle_beta                 102.611(5)
_cell_angle_gamma                95.538(6)
_cell_formula_units_Z            2
_cell_length_a                   11.733(4)
_cell_length_b                   19.916(6)
_cell_length_c                   20.326(7)
_cell_measurement_reflns_used    4768
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.872
_cell_measurement_theta_min      2.405
_cell_volume                     4580(3)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.1349
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34061
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         28.334
_diffrn_reflns_theta_min         1.034
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    0.734
_exptl_crystal_description       block
_exptl_crystal_F_000             1038
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.904
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         22478
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.904
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0511
_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)+(0.0516P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1478
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8830
_reflns_number_total             22478
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02858c2.cif
_cod_data_source_block           a_sq_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7047436--7047439.cif.'
_cod_database_code               7047439
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.916
_shelx_estimated_absorpt_t_min   0.851
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C32(H32), C15(H15)
2.b Aromatic/amide H refined with riding coordinates:
 N23(H23), C7(H7), C39(H39), C10(H10), C31(H31), C28(H28), C27(H27), C17(H17),
 C30(H30), C0AA(H0AA), C21(H21), C18(H18), C8(H8), C34(H34), C22(H22), C11(H11),
  C37(H37), C36(H36), C13(H13), C35(H35), C14(H14), C40(H40), C41(H41),
 C46(H46), C45(H45), C3(H3), C4(H4), C6(H6), C2AA(H2AA)
2.c Idealised Me refined as rotating group:
 C43(H43A,H43B,H43C), C2(H2A,H2B,H2C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Zn1 Zn 0.50179(3) 0.34033(2) 0.95404(2) 0.05552(12) Uani 1 1 d .
Zn2 Zn 0.56873(3) 0.65936(2) 0.49247(2) 0.05608(12) Uani 1 1 d .
O4 O 0.4664(2) 0.45391(13) 0.91315(12) 0.0762(7) Uani 1 1 d .
C25 C 0.4237(3) 0.41553(19) 0.86023(19) 0.0610(9) Uani 1 1 d .
C32 C 0.2385(2) 0.52668(16) 0.60697(15) 0.0559(8) Uani 1 1 d .
H32 H 0.2309 0.4889 0.5711 0.067 Uiso 1 1 calc R
C33 C 0.1166(3) 0.55180(16) 0.59848(16) 0.0577(9) Uani 1 1 d .
C15 C 1.2266(2) 0.47458(15) 1.09979(16) 0.0548(8) Uani 1 1 d .
H15 H 1.2353 0.5127 1.0734 0.066 Uiso 1 1 calc R
N9 N 1.2899(2) 0.42110(12) 1.07375(13) 0.0553(7) Uani 1 1 d .
N6 N 0.3232(2) 0.58057(14) 0.59397(13) 0.0562(7) Uani 1 1 d .
O3 O 0.42167(19) 0.35019(12) 0.85654(11) 0.0714(6) Uani 1 1 d .
C29 C 0.2848(2) 0.49927(16) 0.67476(17) 0.0540(8) Uani 1 1 d .
O6 O 1.48768(18) 0.64861(12) 1.39355(11) 0.0677(6) Uani 1 1 d .
C16 C 1.2830(2) 0.50120(16) 1.17318(16) 0.0537(8) Uani 1 1 d .
C19 C 1.3928(2) 0.55470(17) 1.30741(15) 0.0528(8) Uani 1 1 d .
C12 C 1.0955(3) 0.44926(16) 1.08385(17) 0.0583(8) Uani 1 1 d .
N24 N 1.3948(2) 0.36476(13) 1.01688(13) 0.0567(7) Uani 1 1 d .
C48 C -0.1051(3) 0.59878(17) 0.57721(17) 0.0636(9) Uani 1 1 d .
N23 N 1.2804(3) 0.35653(15) 1.09155(15) 0.0851(10) Uani 1 1 d .
H23 H 1.2413 0.3406 1.1190 0.102 Uiso 1 1 calc R
C7 C 0.3380(3) 0.64448(16) 0.62551(16) 0.0581(9) Uani 1 1 d .
H7 H 0.3016 0.6615 0.6588 0.070 Uiso 1 1 calc R
O5 O 1.4804(2) 0.54430(12) 1.42416(11) 0.0789(7) Uani 1 1 d .
C39 C 0.3911(3) 0.57526(17) 0.54862(16) 0.0559(8) Uani 1 1 d .
H39 H 0.3948 0.5359 0.5211 0.067 Uiso 1 1 calc R
C26 C 0.3715(2) 0.44447(16) 0.79588(16) 0.0519(8) Uani 1 1 d .
C10 C 1.3585(2) 0.42522(16) 1.03017(15) 0.0540(8) Uani 1 1 d .
H10 H 1.3786 0.4643 1.0115 0.065 Uiso 1 1 calc R
C31 C 0.3692(3) 0.51374(16) 0.79660(17) 0.0631(9) Uani 1 1 d .
H31 H 0.3969 0.5423 0.8371 0.076 Uiso 1 1 calc R
C28 C 0.2867(3) 0.42946(17) 0.67401(17) 0.0626(9) Uani 1 1 d .
H28 H 0.2593 0.4010 0.6335 0.075 Uiso 1 1 calc R
C27 C 0.3296(3) 0.40217(17) 0.73409(17) 0.0652(9) Uani 1 1 d .
H27 H 0.3305 0.3555 0.7332 0.078 Uiso 1 1 calc R
C17 C 1.3177(3) 0.57073(17) 1.19008(17) 0.0612(9) Uani 1 1 d .
H17 H 1.3034 0.5996 1.1566 0.073 Uiso 1 1 calc R
O1 O 0.6721(2) 0.36567(14) 0.97050(15) 0.0947(9) Uani 1 1 d .
C20 C 1.4575(3) 0.5840(2) 1.37951(19) 0.0644(9) Uani 1 1 d .
C47 C 0.7742(3) 0.62544(17) 0.5651(2) 0.0696(10) Uani 1 1 d .
O7 O 0.7252(2) 0.62986(13) 0.50348(13) 0.0843(8) Uani 1 1 d .
O8 O 0.7346(2) 0.64312(15) 0.61468(15) 0.1005(9) Uani 1 1 d .
C30 C 0.3247(3) 0.54145(17) 0.73604(18) 0.0669(9) Uani 1 1 d .
H30 H 0.3221 0.5880 0.7370 0.080 Uiso 1 1 calc R
C0AA C 0.9178(3) 0.39761(17) 1.00254(19) 0.0750(10) Uani 1 1 d .
H0AA H 0.8814 0.3781 0.9586 0.090 Uiso 1 1 calc R
C1AA C 0.7215(3) 0.37859(18) 1.0324(2) 0.0748(11) Uani 1 1 d .
N3 N 0.5990(3) 0.76390(14) 0.51618(16) 0.0733(8) Uani 1 1 d .
C21 C 1.3558(3) 0.48625(17) 1.29079(19) 0.0675(10) Uani 1 1 d .
H21 H 1.3674 0.4577 1.3247 0.081 Uiso 1 1 calc R
C18 C 1.3731(3) 0.59732(17) 1.25594(18) 0.0661(9) Uani 1 1 d .
H18 H 1.3975 0.6437 1.2662 0.079 Uiso 1 1 calc R
N1 N 0.4681(3) 0.23588(14) 0.94240(17) 0.0801(9) Uani 1 1 d .
C8 C 1.3453(3) 0.32480(19) 1.05667(19) 0.0795(11) Uani 1 1 d .
H8 H 1.3565 0.2794 1.0589 0.095 Uiso 1 1 calc R
C34 C 0.0706(3) 0.57935(19) 0.53915(18) 0.0818(11) Uani 1 1 d .
H34 H 0.1149 0.5831 0.5066 0.098 Uiso 1 1 calc R
C22 C 1.3012(3) 0.45860(18) 1.22437(18) 0.0723(10) Uani 1 1 d .
H22 H 1.2771 0.4122 1.2143 0.087 Uiso 1 1 calc R
N38 N 0.4156(3) 0.67716(19) 0.59857(19) 0.1149(12) Uani 1 1 d .
O2 O 0.6718(2) 0.36802(15) 1.07974(16) 0.1099(10) Uani 1 1 d .
C11 C 1.0394(3) 0.41969(19) 1.01896(19) 0.0769(11) Uani 1 1 d .
H11 H 1.0826 0.4144 0.9859 0.092 Uiso 1 1 calc R
C9 C 0.8519(3) 0.40459(17) 1.0509(2) 0.0651(9) Uani 1 1 d .
C37 C 0.0497(3) 0.54893(19) 0.64609(18) 0.0834(12) Uani 1 1 d .
H37 H 0.0786 0.5309 0.6862 0.100 Uiso 1 1 calc R
C36 C -0.0601(3) 0.5723(2) 0.63581(19) 0.0896(13) Uani 1 1 d .
H36 H -0.1033 0.5699 0.6690 0.108 Uiso 1 1 calc R
C13 C 1.0263(3) 0.4574(2) 1.13151(19) 0.0857(11) Uani 1 1 d .
H13 H 1.0608 0.4782 1.1752 0.103 Uiso 1 1 calc R
C1 C 0.5126(4) 0.1882(2) 0.9786(2) 0.0839(11) Uani 1 1 d .
C35 C -0.0408(3) 0.60143(18) 0.52776(18) 0.0769(11) Uani 1 1 d .
H35 H -0.0716 0.6179 0.4871 0.092 Uiso 1 1 calc R
N2 N 0.4583(4) 0.12594(17) 0.9523(2) 0.1171(13) Uani 1 1 d .
C42 C 0.5326(4) 0.8117(2) 0.4947(2) 0.0818(11) Uani 1 1 d .
N4 N 0.5859(3) 0.87396(16) 0.5207(2) 0.1055(12) Uani 1 1 d .
C44 C 0.5417(4) 0.9381(2) 0.5102(3) 0.1110(16) Uani 1 1 d .
C14 C 0.9067(3) 0.4346(2) 1.1142(2) 0.0928(13) Uani 1 1 d .
H14 H 0.8628 0.4401 1.1469 0.111 Uiso 1 1 calc R
C5 C 0.4787(5) 0.0627(2) 0.9785(3) 0.1171(17) Uani 1 1 d .
C43 C 0.4159(4) 0.7981(2) 0.4497(3) 0.169(3) Uani 1 1 d .
H43A H 0.4222 0.8002 0.4036 0.253 Uiso 1 1 calc GR
H43B H 0.3678 0.8314 0.4618 0.253 Uiso 1 1 calc GR
H43C H 0.3808 0.7536 0.4540 0.253 Uiso 1 1 calc GR
C40 C 0.6943(5) 0.7978(2) 0.5578(3) 0.157(2) Uani 1 1 d .
H40 H 0.7570 0.7780 0.5814 0.189 Uiso 1 1 calc R
C2 C 0.6059(5) 0.2009(2) 1.0400(3) 0.202(3) Uani 1 1 d .
H2A H 0.6809 0.2026 1.0282 0.303 Uiso 1 1 calc GR
H2B H 0.5983 0.1650 1.0678 0.303 Uiso 1 1 calc GR
H2C H 0.6000 0.2434 1.0647 0.303 Uiso 1 1 calc GR
C41 C 0.6874(5) 0.8656(3) 0.5611(4) 0.195(3) Uani 1 1 d .
H41 H 0.7434 0.8997 0.5869 0.235 Uiso 1 1 calc R
C46 C 0.4212(8) 1.0236(3) 0.5310(4) 0.266(5) Uani 1 1 d .
H46 H 0.3643 1.0372 0.5531 0.319 Uiso 1 1 calc R
C45 C 0.4668(8) 0.9612(3) 0.5425(4) 0.267(5) Uani 1 1 d .
H45 H 0.4422 0.9360 0.5742 0.320 Uiso 1 1 calc R
N5 N 0.4519(2) 0.63543(14) 0.54948(13) 0.0569(7) Uani 1 1 d .
C3 C 0.3776(6) 0.2024(2) 0.8930(3) 0.190(3) Uani 1 1 d .
H3 H 0.3295 0.2227 0.8600 0.228 Uiso 1 1 calc R
C4 C 0.3676(7) 0.1346(3) 0.8991(4) 0.227(4) Uani 1 1 d .
H4 H 0.3112 0.1010 0.8727 0.272 Uiso 1 1 calc R
C6 C 0.4196(8) 0.0370(4) 1.0176(5) 0.256(5) Uani 1 1 d .
H6 H 0.3629 0.0606 1.0319 0.307 Uiso 1 1 calc R
C2AA C 0.5596(9) 0.0292(4) 0.9600(4) 0.276(6) Uani 1 1 d .
H2AA H 0.6044 0.0479 0.9322 0.332 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'
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
O3 Zn1 N1 94.87(11) . .
N24 Zn1 O3 109.75(10) 1_455 .
N24 Zn1 N1 100.21(11) 1_455 .
O1 Zn1 O3 110.73(10) . .
O1 Zn1 N24 127.18(12) . 1_455
O1 Zn1 N1 108.61(12) . .
O6 Zn2 N3 102.37(11) 1_454 .
O6 Zn2 N5 110.45(10) 1_454 .
O7 Zn2 O6 109.98(10) . 1_454
O7 Zn2 N3 104.89(11) . .
O7 Zn2 N5 125.31(10) . .
N5 Zn2 N3 100.72(11) . .
O4 C25 O3 123.0(3) . .
O4 C25 C26 120.0(3) . .
O3 C25 C26 117.0(3) . .
N6 C32 C33 109.4(2) . .
N6 C32 C29 111.6(2) . .
C29 C32 C33 115.3(2) . .
C34 C33 C32 118.5(3) . .
C37 C33 C32 123.9(3) . .
C37 C33 C34 117.6(3) . .
N9 C15 C16 111.5(2) . .
N9 C15 C12 109.2(3) . .
C16 C15 C12 116.2(2) . .
N23 N9 C15 122.1(2) . .
C10 N9 C15 128.1(3) . .
C10 N9 N23 109.7(2) . .
C7 N6 C32 122.5(2) . .
C39 N6 C32 126.7(3) . .
C39 N6 C7 110.7(3) . .
C25 O3 Zn1 100.3(2) . .
C28 C29 C32 117.9(3) . .
C28 C29 C30 119.4(3) . .
C30 C29 C32 122.7(3) . .
C20 O6 Zn2 103.3(2) . 1_656
C17 C16 C15 118.6(3) . .
C17 C16 C22 119.0(3) . .
C22 C16 C15 122.4(3) . .
C21 C19 C20 121.3(3) . .
C21 C19 C18 118.5(3) . .
C18 C19 C20 120.1(3) . .
C11 C12 C15 119.6(3) . .
C11 C12 C13 117.5(3) . .
C13 C12 C15 122.8(3) . .
C10 N24 Zn1 127.7(2) . 1_655
C10 N24 C8 103.3(2) . .
C8 N24 Zn1 129.0(2) . 1_655
C36 C48 C47 121.4(3) . 1_455
C36 C48 C35 119.3(3) . .
C35 C48 C47 119.3(3) . 1_455
C8 N23 N9 103.4(3) . .
N38 C7 N6 104.2(3) . .
N5 C39 N6 109.1(3) . .
C31 C26 C25 119.9(3) . .
C31 C26 C27 119.1(3) . .
C27 C26 C25 120.9(3) . .
N9 C10 N24 109.9(3) . .
C26 C31 C30 120.3(3) . .
C29 C28 C27 120.1(3) . .
C28 C27 C26 120.8(3) . .
C18 C17 C16 120.9(3) . .
C1AA O1 Zn1 113.3(2) . .
O6 C20 C19 119.5(3) . .
O5 C20 O6 121.3(3) . .
O5 C20 C19 119.2(3) . .
O7 C47 C48 116.0(3) . 1_655
O8 C47 C48 118.7(3) . 1_655
O8 C47 O7 125.2(3) . .
C47 O7 Zn2 113.1(2) . .
C29 C30 C31 120.4(3) . .
C9 C0AA C11 120.7(4) . .
O1 C1AA C9 117.8(4) . .
O2 C1AA O1 124.2(4) . .
O2 C1AA C9 117.9(4) . .
C42 N3 Zn2 130.1(3) . .
C40 N3 Zn2 125.2(3) . .
C40 N3 C42 104.7(3) . .
C19 C21 C22 121.7(3) . .
C17 C18 C19 120.4(3) . .
C1 N1 Zn1 133.2(3) . .
C1 N1 C3 105.4(3) . .
C3 N1 Zn1 121.2(3) . .
N23 C8 N24 113.6(3) . .
C33 C34 C35 121.2(3) . .
C21 C22 C16 119.5(3) . .
C7 N38 N5 112.6(3) . .
C12 C11 C0AA 120.7(3) . .
C0AA C9 C1AA 119.7(4) . .
C14 C9 C0AA 118.5(3) . .
C14 C9 C1AA 121.9(3) . .
C33 C37 C36 121.6(3) . .
C48 C36 C37 120.5(3) . .
C14 C13 C12 120.7(4) . .
N1 C1 N2 111.6(4) . .
N1 C1 C2 125.1(4) . .
N2 C1 C2 123.3(4) . .
C48 C35 C34 119.8(3) . .
C1 N2 C5 127.6(4) . .
C1 N2 C4 106.7(4) . .
C4 N2 C5 125.2(4) . .
N3 C42 N4 111.4(4) . .
N3 C42 C43 124.5(4) . .
N4 C42 C43 124.1(4) . .
C42 N4 C44 127.8(4) . .
C41 N4 C42 106.4(4) . .
C41 N4 C44 125.7(4) . .
C46 C44 N4 120.6(5) 2_676 .
C45 C44 N4 122.2(5) . .
C45 C44 C46 117.1(5) . 2_676
C9 C14 C13 121.9(3) . .
C6 C5 N2 122.7(6) . .
C6 C5 C2AA 118.8(5) . .
C2AA C5 N2 118.4(6) . .
N3 C40 C41 110.3(4) . .
N4 C41 C40 107.1(5) . .
C44 C46 C45 120.6(6) 2_676 .
C44 C45 C46 122.2(6) . .
C39 N5 Zn2 127.5(2) . .
C39 N5 N38 103.4(3) . .
N38 N5 Zn2 129.1(3) . .
N1 C3 C4 110.1(5) . .
C3 C4 N2 106.0(5) . .
C5 C6 C2AA 120.3(6) . 2_657
C5 C2AA C6 120.9(6) . 2_657
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 2.036(2) .
Zn1 N24 2.036(2) 1_455
Zn1 O1 1.959(2) .
Zn1 N1 2.061(3) .
Zn2 O6 2.009(2) 1_454
Zn2 O7 1.954(2) .
Zn2 N3 2.070(3) .
Zn2 N5 2.030(2) .
O4 C25 1.236(4) .
C25 O3 1.294(4) .
C25 C26 1.510(4) .
C32 C33 1.540(4) .
C32 N6 1.474(4) .
C32 C29 1.538(4) .
C33 C34 1.395(4) .
C33 C37 1.374(4) .
C15 N9 1.478(3) .
C15 C16 1.515(4) .
C15 C12 1.526(4) .
N9 N23 1.369(3) .
N9 C10 1.324(3) .
N6 C7 1.347(4) .
N6 C39 1.347(3) .
C29 C28 1.391(4) .
C29 C30 1.395(4) .
O6 Zn2 2.009(2) 1_656
O6 C20 1.289(4) .
C16 C17 1.393(4) .
C16 C22 1.398(4) .
C19 C20 1.527(5) .
C19 C21 1.377(4) .
C19 C18 1.403(4) .
C12 C11 1.385(4) .
C12 C13 1.400(4) .
N24 Zn1 2.036(2) 1_655
N24 C10 1.338(3) .
N24 C8 1.365(4) .
C48 C47 1.539(4) 1_455
C48 C36 1.369(4) .
C48 C35 1.384(4) .
N23 C8 1.313(4) .
C7 N38 1.312(4) .
O5 C20 1.262(4) .
C39 N5 1.331(4) .
C26 C31 1.381(4) .
C26 C27 1.407(4) .
C31 C30 1.413(4) .
C28 C27 1.397(4) .
C17 C18 1.384(4) .
O1 C1AA 1.255(4) .
C47 C48 1.539(4) 1_655
C47 O7 1.274(4) .
C47 O8 1.235(4) .
C0AA C11 1.409(4) .
C0AA C9 1.382(4) .
C1AA O2 1.253(4) .
C1AA C9 1.521(5) .
N3 C42 1.333(4) .
N3 C40 1.325(5) .
C21 C22 1.396(4) .
N1 C1 1.333(4) .
N1 C3 1.360(6) .
C34 C35 1.397(4) .
N38 N5 1.402(4) .
C9 C14 1.358(5) .
C37 C36 1.392(4) .
C13 C14 1.389(5) .
C1 N2 1.342(5) .
C1 C2 1.453(6) .
N2 C5 1.435(5) .
N2 C4 1.378(6) .
C42 N4 1.338(5) .
C42 C43 1.456(6) .
N4 C44 1.441(5) .
N4 C41 1.326(6) .
C44 C46 1.299(6) 2_676
C44 C45 1.299(7) .
C5 C6 1.273(7) .
C5 C2AA 1.310(7) .
C40 C41 1.356(6) .
C46 C44 1.299(6) 2_676
C46 C45 1.420(7) .
C3 C4 1.364(6) .
C6 C2AA 1.462(7) 2_657
C2AA C6 1.462(7) 2_657
