#------------------------------------------------------------------------------
#$Date: 2019-11-07 21:30:25 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223528 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/32/7233272.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_7233272
loop_
_publ_author_name
'Long, Bing-Fan'
'Wang, Meng-Fan'
'Huang, Qin'
'Yin, Xian-Hong'
'Young, David James'
'Hu, Fei-Long'
'Mi, Yan'
_publ_section_title
;
 A pillar-layer strategy to construct 2D polycatenated coordination
 polymers for luminescence detection of Cr2O72− and CrO42−
 in aqueous solution
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4943
_journal_paper_doi               10.1039/C9CE00825J
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C64 H48 N2 O12 Zn2'
_chemical_formula_weight         1167.78
_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_method           SHELXL-2017/1
_audit_update_record
;
2019-06-27 deposited with the CCDC.    2019-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                107.447(9)
_cell_angle_beta                 107.199(10)
_cell_angle_gamma                98.981(9)
_cell_formula_units_Z            2
_cell_length_a                   12.900(9)
_cell_length_b                   17.379(12)
_cell_length_c                   19.453(13)
_cell_measurement_reflns_used    2536
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      36.02
_cell_measurement_theta_min      2.15
_cell_volume                     3828(5)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.1287
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20840
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.692
_exptl_absorpt_coefficient_mu    0.675
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.013
_exptl_crystal_description       block
_exptl_crystal_F_000             1204
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         13305
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.881
_refine_ls_R_factor_all          0.1206
_refine_ls_R_factor_gt           0.0587
_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)+(0.1216P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1614
_refine_ls_wR_factor_ref         0.2000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6775
_reflns_number_total             13305
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce00825j2.cif
_cod_data_source_block           20181128_bpeb_l_0m_sq
_cod_depositor_comments
'Adding full bibliography for 7233269--7233274.cif.'
_cod_original_cell_volume        3829(4)
_cod_database_code               7233272
_shelx_shelxl_version_number     2017/1
_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.
;
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
_atom_site_refinement_flags_adp
C1 C 0.2148(4) 0.3273(3) -0.0632(3) 0.0639(16) Uani 1 1 d . .
H1 H 0.189539 0.275246 -0.060972 0.077 Uiso 1 1 calc R U
C2 C 0.1407(4) 0.3748(3) -0.0729(4) 0.0670(17) Uani 1 1 d . .
H2 H 0.066783 0.354498 -0.077815 0.080 Uiso 1 1 calc R U
C3 C 0.1751(4) 0.4532(3) -0.0755(3) 0.0500(13) Uani 1 1 d . .
C4 C 0.2851(4) 0.4769(3) -0.0710(3) 0.0592(15) Uani 1 1 d . .
H4 H 0.312131 0.528047 -0.074215 0.071 Uiso 1 1 calc R U
C5 C 0.3543(4) 0.4261(3) -0.0620(3) 0.0583(15) Uani 1 1 d . .
H5 H 0.427579 0.443829 -0.059546 0.070 Uiso 1 1 calc R U
C6 C 0.0980(4) 0.5062(3) -0.0821(3) 0.0579(15) Uani 1 1 d . .
H6 H 0.023845 0.482884 -0.089267 0.069 Uiso 1 1 calc R U
C7 C 0.1236(4) 0.5837(3) -0.0789(3) 0.0524(13) Uani 1 1 d . .
H7 H 0.196952 0.605764 -0.074204 0.063 Uiso 1 1 calc R U
C8 C 0.0495(4) 0.6387(3) -0.0820(3) 0.0506(13) Uani 1 1 d . .
C9 C 0.0878(4) 0.7176(3) -0.0844(3) 0.0631(15) Uani 1 1 d . .
H9 H 0.159809 0.733350 -0.084909 0.076 Uiso 1 1 calc R U
C10 C 0.0215(4) 0.7718(3) -0.0860(3) 0.0625(15) Uani 1 1 d . .
H10 H 0.050313 0.824086 -0.086395 0.075 Uiso 1 1 calc R U
C11 C -0.0879(4) 0.7508(3) -0.0871(3) 0.0559(14) Uani 1 1 d . .
C12 C -0.1275(5) 0.6711(3) -0.0897(3) 0.0618(15) Uani 1 1 d . .
H12 H -0.201788 0.653727 -0.093832 0.074 Uiso 1 1 calc R U
C13 C -0.0624(4) 0.6170(3) -0.0865(3) 0.0617(15) Uani 1 1 d . .
H13 H -0.092616 0.564316 -0.087408 0.074 Uiso 1 1 calc R U
C14 C -0.1608(5) 0.8079(3) -0.0852(3) 0.0630(15) Uani 1 1 d . .
H14 H -0.232664 0.787041 -0.086720 0.076 Uiso 1 1 calc R U
C15 C -0.1345(5) 0.8850(3) -0.0817(3) 0.0614(15) Uani 1 1 d . .
H15 H -0.063931 0.905339 -0.082506 0.074 Uiso 1 1 calc R U
C16 C -0.2069(4) 0.9427(3) -0.0764(3) 0.0545(14) Uani 1 1 d . .
C17 C -0.1706(5) 1.0211(3) -0.0754(3) 0.0690(17) Uani 1 1 d . .
H17 H -0.101840 1.036687 -0.080620 0.083 Uiso 1 1 calc R U
C18 C -0.2331(5) 1.0766(3) -0.0670(3) 0.0653(16) Uani 1 1 d . .
H18 H -0.205051 1.129386 -0.066718 0.078 Uiso 1 1 calc R U
C19 C -0.3695(5) 0.9837(3) -0.0599(3) 0.0635(16) Uani 1 1 d . .
H19 H -0.438257 0.969942 -0.054233 0.076 Uiso 1 1 calc R U
C20 C -0.3106(5) 0.9249(3) -0.0688(3) 0.0602(15) Uani 1 1 d . .
H20 H -0.340498 0.872144 -0.069764 0.072 Uiso 1 1 calc R U
C21 C 0.6259(4) 0.2118(4) 0.1076(4) 0.0597(15) Uani 1 1 d . .
C22 C 0.6648(4) 0.2598(3) 0.1905(3) 0.0538(13) Uani 1 1 d . .
C23 C 0.7039(5) 0.3454(3) 0.2199(4) 0.0639(16) Uani 1 1 d . .
H23 H 0.705226 0.373364 0.186114 0.077 Uiso 1 1 calc R U
C24 C 0.7409(5) 0.3912(4) 0.2977(4) 0.0717(17) Uani 1 1 d . .
H24 H 0.766005 0.449227 0.315624 0.086 Uiso 1 1 calc R U
C25 C 0.7412(5) 0.3518(4) 0.3490(3) 0.0629(15) Uani 1 1 d . .
C26 C 0.7041(5) 0.2647(4) 0.3204(4) 0.0770(18) Uani 1 1 d . .
H26 H 0.703984 0.236777 0.354382 0.092 Uiso 1 1 calc R U
C27 C 0.6683(5) 0.2205(4) 0.2435(4) 0.0709(17) Uani 1 1 d . .
H27 H 0.645387 0.162327 0.225640 0.085 Uiso 1 1 calc R U
C28 C 0.8124(6) 0.4784(4) 0.4583(4) 0.089(2) Uani 1 1 d . .
H28A H 0.750076 0.500278 0.438279 0.107 Uiso 1 1 calc R U
H28B H 0.872805 0.497716 0.442282 0.107 Uiso 1 1 calc R U
C29 C 0.8523(6) 0.5105(4) 0.5445(4) 0.0717(17) Uani 1 1 d . .
C30 C 0.9458(6) 0.5775(4) 0.5877(4) 0.085(2) Uani 1 1 d . .
H30 H 0.985888 0.600574 0.562743 0.102 Uiso 1 1 calc R U
C31 C 0.9810(6) 0.6111(4) 0.6666(4) 0.088(2) Uani 1 1 d . .
H31 H 1.045418 0.655539 0.695014 0.106 Uiso 1 1 calc R U
C32 C 0.9217(5) 0.5791(4) 0.7029(4) 0.0801(18) Uani 1 1 d . .
H32 H 0.944119 0.603863 0.756332 0.096 Uiso 1 1 calc R U
C33 C 0.8315(5) 0.5129(4) 0.6644(4) 0.0733(17) Uani 1 1 d . .
C34 C 0.7962(6) 0.4771(4) 0.5833(4) 0.0839(19) Uani 1 1 d . .
H34 H 0.734313 0.430520 0.555813 0.101 Uiso 1 1 calc R U
C35 C 0.7642(6) 0.4831(4) 0.7069(4) 0.095(2) Uani 1 1 d . .
H35A H 0.758279 0.530777 0.745740 0.114 Uiso 1 1 calc R U
H35B H 0.688712 0.450984 0.671043 0.114 Uiso 1 1 calc R U
C36 C 0.7691(5) 0.4011(3) 0.7852(3) 0.0617(15) Uani 1 1 d . .
C37 C 0.6845(5) 0.4273(3) 0.8073(4) 0.0758(19) Uani 1 1 d . .
H37 H 0.659256 0.470515 0.794963 0.091 Uiso 1 1 calc R U
C38 C 0.6370(5) 0.3888(3) 0.8481(3) 0.0711(17) Uani 1 1 d . .
H38 H 0.580826 0.407651 0.863472 0.085 Uiso 1 1 calc R U
C39 C 0.6696(4) 0.3252(3) 0.8662(3) 0.0492(13) Uani 1 1 d . .
C40 C 0.7566(5) 0.3005(3) 0.8446(4) 0.0713(18) Uani 1 1 d . .
H40 H 0.781972 0.257493 0.857221 0.086 Uiso 1 1 calc R U
C41 C 0.8051(5) 0.3379(4) 0.8055(4) 0.0768(18) Uani 1 1 d . .
H41 H 0.863592 0.320495 0.792311 0.092 Uiso 1 1 calc R U
C42 C 0.6118(4) 0.2815(3) 0.9053(3) 0.0526(13) Uani 1 1 d . .
C43 C 0.3406(4) 0.1067(3) -0.0932(3) 0.0507(13) Uani 1 1 d . .
C44 C 0.2284(4) 0.0462(3) -0.1326(3) 0.0532(13) Uani 1 1 d . .
C45 C 0.1318(5) 0.0715(3) -0.1467(4) 0.0796(19) Uani 1 1 d . .
H45 H 0.137187 0.128536 -0.128959 0.096 Uiso 1 1 calc R U
C46 C 0.0273(5) 0.0162(4) -0.1859(4) 0.088(2) Uani 1 1 d . .
H46 H -0.036842 0.035358 -0.196360 0.105 Uiso 1 1 calc R U
C47 C 0.0185(5) -0.0689(4) -0.2097(4) 0.0761(18) Uani 1 1 d . .
C48 C 0.1131(5) -0.0962(3) -0.1954(4) 0.0765(19) Uani 1 1 d . .
H48 H 0.107438 -0.153297 -0.210945 0.092 Uiso 1 1 calc R U
C49 C 0.2170(5) -0.0390(3) -0.1578(3) 0.0678(16) Uani 1 1 d . .
H49 H 0.281335 -0.058146 -0.149120 0.081 Uiso 1 1 calc R U
C50 C -0.1094(6) -0.2040(4) -0.2807(4) 0.102(2) Uani 1 1 d . .
H50A H -0.087183 -0.226515 -0.240242 0.123 Uiso 1 1 calc R U
H50B H -0.066511 -0.217924 -0.313871 0.123 Uiso 1 1 calc R U
C51 C -0.2364(6) -0.2395(4) -0.3277(4) 0.0829(19) Uani 1 1 d . .
C52 C -0.3169(7) -0.2185(6) -0.3002(5) 0.131(3) Uani 1 1 d . .
H52 H -0.296467 -0.179814 -0.250322 0.157 Uiso 1 1 calc R U
C53 C -0.4282(7) -0.2539(7) -0.3455(6) 0.128(3) Uani 1 1 d . .
H53 H -0.482586 -0.239292 -0.325531 0.154 Uiso 1 1 calc R U
C54 C -0.4605(8) -0.3081(6) -0.4167(6) 0.134(3) Uani 1 1 d . .
H54 H -0.536504 -0.332367 -0.446830 0.160 Uiso 1 1 calc R U
C55 C -0.3806(10) -0.3272(7) -0.4443(6) 0.179(6) Uani 1 1 d . .
C56 C -0.2711(8) -0.2967(6) -0.4005(5) 0.131(3) Uani 1 1 d . .
H56 H -0.218095 -0.315073 -0.420200 0.157 Uiso 1 1 calc R U
C57 C -0.4360(10) -0.4170(6) -0.5203(7) 0.183(4) Uani 1 1 d . U
H57A H -0.404644 -0.461453 -0.510035 0.220 Uiso 1 1 calc R U
H57B H -0.517422 -0.434700 -0.536992 0.220 Uiso 1 1 calc R U
C58 C -0.4449(6) -0.4585(4) -0.6421(4) 0.086(2) Uani 1 1 d . .
C59 C -0.5163(6) -0.5376(5) -0.6700(4) 0.094(2) Uani 1 1 d . .
H59 H -0.545028 -0.556295 -0.637610 0.113 Uiso 1 1 calc R U
C60 C -0.5457(5) -0.5897(4) -0.7469(4) 0.0815(19) Uani 1 1 d . .
H60 H -0.596160 -0.642314 -0.766033 0.098 Uiso 1 1 calc R U
C61 C -0.4998(4) -0.5635(3) -0.7950(3) 0.0600(15) Uani 1 1 d . .
C62 C -0.4258(5) -0.4835(4) -0.7643(4) 0.0723(17) Uani 1 1 d . .
H62 H -0.393744 -0.464681 -0.795310 0.087 Uiso 1 1 calc R U
C63 C -0.3996(6) -0.4320(4) -0.6886(4) 0.0806(18) Uani 1 1 d . .
H63 H -0.350522 -0.378822 -0.669270 0.097 Uiso 1 1 calc R U
C64 C -0.5250(4) -0.6192(3) -0.8742(3) 0.0549(14) Uani 1 1 d . .
N1 N 0.3221(3) 0.3521(2) -0.0566(2) 0.0490(11) Uani 1 1 d . .
N2 N -0.3323(4) 1.0601(2) -0.0592(3) 0.0545(11) Uani 1 1 d . .
O1 O 0.6159(3) 0.2484(2) 0.0600(2) 0.0686(11) Uani 1 1 d . .
O2 O 0.6007(4) 0.1332(2) 0.0824(2) 0.0825(12) Uani 1 1 d . .
O3 O 0.7776(4) 0.3908(3) 0.4278(2) 0.0800(12) Uani 1 1 d . .
O4 O 0.8184(3) 0.4323(2) 0.7429(3) 0.0820(12) Uani 1 1 d . .
O5 O 0.5418(3) 0.3121(2) 0.9286(2) 0.0596(10) Uani 1 1 d . .
O6 O 0.6354(3) 0.2149(2) 0.9097(2) 0.0633(10) Uani 1 1 d . .
O7 O 0.3441(3) 0.18230(19) -0.0632(2) 0.0647(10) Uani 1 1 d . .
O8 O 0.4268(3) 0.08028(19) -0.0924(2) 0.0644(10) Uani 1 1 d . .
O9 O -0.0916(4) -0.1182(3) -0.2492(3) 0.1017(15) Uani 1 1 d . .
O10 O -0.4061(6) -0.3953(5) -0.5661(3) 0.161(3) Uani 1 1 d . .
O11 O -0.5927(3) -0.6896(2) -0.9032(2) 0.0679(10) Uani 1 1 d . .
O12 O -0.4759(3) -0.5951(2) -0.9139(2) 0.0648(10) Uani 1 1 d . .
Zn1 Zn 0.58187(5) 0.14688(3) -0.03714(4) 0.0502(2) Uani 1 1 d . .
Zn2 Zn 0.44697(5) 0.29639(3) -0.01024(4) 0.0511(2) Uani 1 1 d . .
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
N1 C1 C2 123.0(4) . .
C3 C2 C1 120.4(5) . .
C2 C3 C4 115.8(4) . .
C2 C3 C6 120.8(4) . .
C4 C3 C6 123.4(4) . .
C5 C4 C3 120.7(4) . .
N1 C5 C4 123.2(4) . .
C7 C6 C3 126.1(5) . .
C6 C7 C8 126.9(5) . .
C9 C8 C13 116.1(4) . .
C9 C8 C7 119.4(4) . .
C13 C8 C7 124.4(4) . .
C10 C9 C8 121.3(5) . .
C9 C10 C11 121.9(5) . .
C12 C11 C10 116.3(4) . .
C12 C11 C14 119.5(5) . .
C10 C11 C14 124.2(5) . .
C13 C12 C11 122.6(5) . .
C12 C13 C8 121.5(5) . .
C15 C14 C11 126.4(5) . .
C14 C15 C16 125.7(5) . .
C17 C16 C20 115.4(4) . .
C17 C16 C15 119.8(5) . .
C20 C16 C15 124.8(5) . .
C18 C17 C16 121.0(5) . .
N2 C18 C17 123.9(5) . .
N2 C19 C20 122.6(5) . .
C19 C20 C16 121.0(5) . .
O2 C21 O1 118.8(6) . .
O2 C21 C22 120.5(6) . .
O1 C21 C22 120.7(5) . .
O2 C21 Zn1 66.8(3) . .
O1 C21 Zn1 52.4(3) . .
C22 C21 Zn1 170.7(4) . .
C23 C22 C27 116.9(5) . .
C23 C22 C21 121.5(5) . .
C27 C22 C21 121.5(5) . .
C24 C23 C22 122.1(5) . .
C25 C24 C23 120.3(6) . .
C24 C25 O3 125.5(5) . .
C24 C25 C26 118.5(6) . .
O3 C25 C26 116.0(5) . .
C27 C26 C25 120.4(6) . .
C26 C27 C22 121.7(5) . .
O3 C28 C29 110.6(5) . .
C30 C29 C34 117.7(6) . .
C30 C29 C28 120.2(6) . .
C34 C29 C28 122.1(6) . .
C31 C30 C29 121.5(6) . .
C32 C31 C30 119.4(7) . .
C31 C32 C33 122.0(6) . .
C32 C33 C34 118.8(6) . .
C32 C33 C35 119.9(6) . .
C34 C33 C35 121.1(6) . .
C29 C34 C33 120.5(6) . .
O4 C35 C33 109.2(5) . .
O4 C36 C41 117.2(5) . .
O4 C36 C37 124.4(5) . .
C41 C36 C37 118.4(5) . .
C38 C37 C36 119.6(5) . .
C39 C38 C37 122.3(5) . .
C38 C39 C40 117.3(5) . .
C38 C39 C42 120.9(4) . .
C40 C39 C42 121.7(4) . .
C41 C40 C39 121.4(5) . .
C40 C41 C36 120.9(5) . .
O6 C42 O5 125.6(5) . .
O6 C42 C39 116.9(4) . .
O5 C42 C39 117.4(4) . .
O8 C43 O7 124.0(4) . .
O8 C43 C44 118.9(4) . .
O7 C43 C44 117.1(4) . .
C45 C44 C49 117.2(5) . .
C45 C44 C43 121.8(4) . .
C49 C44 C43 121.0(5) . .
C44 C45 C46 122.5(5) . .
C45 C46 C47 119.0(5) . .
C48 C47 C46 120.0(5) . .
C48 C47 O9 126.7(5) . .
C46 C47 O9 113.3(5) . .
C47 C48 C49 119.6(5) . .
C44 C49 C48 121.8(5) . .
O9 C50 C51 105.6(6) . .
C56 C51 C52 117.3(7) . .
C56 C51 C50 118.8(7) . .
C52 C51 C50 123.9(7) . .
C53 C52 C51 120.2(7) . .
C52 C53 C54 121.7(8) . .
C53 C54 C55 117.8(9) . .
C54 C55 C56 122.0(9) . .
C54 C55 C57 109.0(10) . .
C56 C55 C57 124.5(9) . .
C51 C56 C55 120.7(8) . .
O10 C57 C55 99.1(10) . .
C59 C58 C63 120.1(6) . .
C59 C58 O10 128.8(6) . .
C63 C58 O10 111.1(7) . .
C58 C59 C60 120.1(6) . .
C61 C60 C59 120.4(6) . .
C60 C61 C62 117.9(6) . .
C60 C61 C64 120.8(5) . .
C62 C61 C64 121.2(5) . .
C63 C62 C61 120.9(6) . .
C62 C63 C58 120.5(6) . .
O11 C64 O12 119.1(5) . .
O11 C64 C61 122.2(5) . .
O12 C64 C61 118.6(5) . .
O11 C64 Zn2 63.7(3) . 1_444
O12 C64 Zn2 55.5(3) . 1_444
C61 C64 Zn2 174.1(4) . 1_444
C5 N1 C1 116.7(4) . .
C5 N1 Zn2 119.0(3) . .
C1 N1 Zn2 122.3(3) . .
C19 N2 C18 116.1(4) . .
C19 N2 Zn1 120.3(3) . 1_465
C18 N2 Zn1 123.3(3) . 1_465
C21 O1 Zn1 98.3(3) . .
C21 O2 Zn1 83.7(4) . .
C25 O3 C28 117.5(5) . .
C36 O4 C35 116.9(4) . .
C42 O5 Zn2 139.9(3) . 1_556
C42 O6 Zn1 127.0(3) . 1_556
C43 O7 Zn2 143.2(3) . .
C43 O8 Zn1 125.7(3) . .
C50 O9 C47 118.1(5) . .
C57 O10 C58 114.5(9) . .
C64 O11 Zn2 86.6(3) . 1_444
C64 O12 Zn2 94.4(3) . 1_444
O8 Zn1 O6 113.46(17) . 1_554
O8 Zn1 N2 101.99(16) . 1_645
O6 Zn1 N2 97.32(15) 1_554 1_645
O8 Zn1 O1 117.79(15) . .
O6 Zn1 O1 93.05(16) 1_554 .
N2 Zn1 O1 130.36(17) 1_645 .
O8 Zn1 O2 97.07(16) . .
O6 Zn1 O2 146.22(15) 1_554 .
N2 Zn1 O2 89.75(15) 1_645 .
O1 Zn1 O2 58.58(15) . .
O8 Zn1 C21 111.78(16) . .
O6 Zn1 C21 119.57(18) 1_554 .
N2 Zn1 C21 110.14(18) 1_645 .
O1 Zn1 C21 29.32(15) . .
O2 Zn1 C21 29.40(15) . .
O7 Zn2 O5 108.17(15) . 1_554
O7 Zn2 O12 150.87(15) . 1_666
O5 Zn2 O12 99.98(15) 1_554 1_666
O7 Zn2 N1 93.19(15) . .
O5 Zn2 N1 97.77(15) 1_554 .
O12 Zn2 N1 90.24(15) 1_666 .
O7 Zn2 O11 91.05(15) . 1_666
O5 Zn2 O11 156.51(15) 1_554 1_666
O12 Zn2 O11 59.84(14) 1_666 1_666
N1 Zn2 O11 94.40(14) . 1_666
O7 Zn2 C64 120.76(17) . 1_666
O5 Zn2 C64 129.16(16) 1_554 1_666
O12 Zn2 C64 30.12(14) 1_666 1_666
N1 Zn2 C64 92.73(16) . 1_666
O11 Zn2 C64 29.72(14) 1_666 1_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.340(6) .
C1 C2 1.365(7) .
C2 C3 1.386(6) .
C3 C4 1.383(6) .
C3 C6 1.462(6) .
C4 C5 1.361(6) .
C5 N1 1.332(6) .
C6 C7 1.313(6) .
C7 C8 1.455(6) .
C8 C9 1.403(6) .
C8 C13 1.402(7) .
C9 C10 1.369(6) .
C10 C11 1.394(7) .
C11 C12 1.380(7) .
C11 C14 1.469(6) .
C12 C13 1.359(6) .
C14 C15 1.306(6) .
C15 C16 1.475(6) .
C16 C17 1.362(7) .
C16 C20 1.386(7) .
C17 C18 1.355(6) .
C18 N2 1.331(6) .
C19 N2 1.332(6) .
C19 C20 1.366(6) .
C21 O2 1.256(6) .
C21 O1 1.259(6) .
C21 C22 1.461(7) .
C21 Zn1 2.544(6) .
C22 C23 1.371(7) .
C22 C27 1.392(7) .
C23 C24 1.371(7) .
C24 C25 1.367(7) .
C25 O3 1.372(6) .
C25 C26 1.394(7) .
C26 C27 1.354(8) .
C28 O3 1.400(7) .
C28 C29 1.492(8) .
C29 C30 1.375(9) .
C29 C34 1.375(8) .
C30 C31 1.368(8) .
C31 C32 1.346(8) .
C32 C33 1.337(8) .
C33 C34 1.407(8) .
C33 C35 1.499(7) .
C35 O4 1.426(7) .
C36 O4 1.358(6) .
C36 C41 1.375(7) .
C36 C37 1.379(7) .
C37 C38 1.390(7) .
C38 C39 1.348(7) .
C39 C40 1.394(6) .
C39 C42 1.488(6) .
C40 C41 1.358(7) .
C42 O6 1.263(5) .
C42 O5 1.245(5) .
C43 O8 1.265(5) .
C43 O7 1.255(5) .
C43 C44 1.474(7) .
C44 C45 1.366(7) .
C44 C49 1.381(6) .
C45 C46 1.367(7) .
C46 C47 1.385(7) .
C47 C48 1.360(8) .
C47 O9 1.387(7) .
C48 C49 1.374(7) .
C50 O9 1.384(7) .
C50 C51 1.536(9) .
C51 C56 1.355(9) .
C51 C52 1.352(9) .
C52 C53 1.367(10) .
C53 C54 1.316(11) .
C54 C55 1.338(13) .
C55 C56 1.336(11) .
C55 C57 1.667(13) .
C57 O10 1.203(12) .
C58 C59 1.376(9) .
C58 C63 1.361(8) .
C58 O10 1.436(9) .
C59 C60 1.395(8) .
C60 C61 1.391(7) .
C61 C62 1.397(7) .
C61 C64 1.458(7) .
C62 C63 1.379(8) .
C64 O11 1.239(6) .
C64 O12 1.256(6) .
C64 Zn2 2.496(6) 1_444
N1 Zn2 2.121(4) .
N2 Zn1 2.025(4) 1_465
O1 Zn1 2.036(4) .
O2 Zn1 2.353(4) .
O5 Zn2 1.985(3) 1_556
O6 Zn1 1.961(3) 1_556
O7 Zn2 1.975(3) .
O8 Zn1 1.938(4) .
O11 Zn2 2.241(4) 1_444
O12 Zn2 2.062(4) 1_444
