#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:57:10 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180457 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/26/7212605.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_7212605
loop_
_publ_author_name
'Yan, Si-Tang'
'Shi, Lian-Xu'
'Sun, Fei-Fei'
'Wu, Chuan-De'
_publ_section_title
;
 The roles of the coordination modes of bridging ligands for the formation
 of two 3D metal--organic coordination networks
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3437
_journal_paper_doi               10.1039/c002573a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C28 H32 N4 O27 Zn4'
_chemical_formula_weight         1118.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.238(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4711(3)
_cell_length_b                   14.6161(3)
_cell_length_c                   17.8745(5)
_cell_measurement_reflns_used    42908
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.32
_cell_volume                     3780.62(15)
_computing_cell_refinement       'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_data_collection       'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_data_reduction        'CrysAlisPro (Oxford Diffraction Ltd., 2010)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'CrystalStructure and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42908
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.32
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.617
_exptl_absorpt_correction_T_max  0.658
_exptl_absorpt_correction_T_min  0.475
_exptl_absorpt_correction_type   'Empirical absorption'
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.964
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         7408
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0336P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                4985
_reflns_number_total             7408
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002573a.txt
_cod_data_source_block           New2
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7212605
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.84279(2) 1.40143(2) 0.03104(2) 0.02008(10) Uani 1 1 d .
Zn2 Zn 0.38712(2) 1.15404(2) 0.31469(2) 0.01983(10) Uani 1 1 d .
Zn3 Zn 0.35165(2) 1.10723(2) 0.03138(2) 0.01887(10) Uani 1 1 d .
Zn4 Zn 0.88843(2) 1.13407(2) -0.17811(2) 0.01921(10) Uani 1 1 d .
O1 O 0.97554(15) 0.92733(13) -0.35641(13) 0.0330(6) Uani 1 1 d .
O2 O 1.06109(14) 0.86667(12) -0.44782(12) 0.0231(5) Uani 1 1 d .
O3 O 0.88822(14) 1.11053(13) -0.36489(12) 0.0241(5) Uani 1 1 d .
O4 O 0.98554(14) 1.13152(13) -0.27048(12) 0.0262(5) Uani 1 1 d .
O5 O 1.15659(15) 1.33323(14) -0.52738(14) 0.0343(6) Uani 1 1 d .
O6 O 1.28388(14) 1.27949(13) -0.47190(13) 0.0281(5) Uani 1 1 d .
O7 O 1.28121(13) 1.14967(12) -0.59790(12) 0.0225(5) Uani 1 1 d .
O8 O 1.25997(14) 0.99938(12) -0.58062(13) 0.0273(6) Uani 1 1 d .
O9 O 0.54088(13) 0.86634(12) 0.04666(12) 0.0223(5) Uani 1 1 d .
O10 O 0.46097(15) 0.93278(13) 0.13858(14) 0.0358(6) Uani 1 1 d .
O11 O 0.49231(14) 1.13363(13) 0.23185(12) 0.0254(5) Uani 1 1 d .
O12 O 0.40435(14) 1.13116(13) 0.13072(12) 0.0242(5) Uani 1 1 d .
O13 O 0.85201(14) 1.21013(14) 0.05660(14) 0.0322(6) Uani 1 1 d .
O14 O 0.74471(13) 1.31075(12) 0.02285(13) 0.0263(5) Uani 1 1 d .
O15 O 0.75552(13) 0.97952(12) -0.08391(12) 0.0245(5) Uani 1 1 d .
O16 O 0.80034(14) 1.12654(12) -0.08610(12) 0.0251(5) Uani 1 1 d .
O17 O 0.27826(14) 1.10549(13) 0.24189(13) 0.0298(5) Uani 1 1 d .
H17A H 0.3015 1.1121 0.2003 0.036 Uiso 1 1 d .
H17B H 0.2366 1.1428 0.2474 0.036 Uiso 1 1 d .
O18 O 0.48814(15) 1.20265(13) 0.38429(13) 0.0337(6) Uani 1 1 d .
H18A H 0.4789 1.2501 0.4079 0.040 Uiso 1 1 d .
H18B H 0.5106 1.1678 0.4156 0.040 Uiso 1 1 d .
O19 O 0.42330(15) 1.02003(13) 0.34804(14) 0.0357(6) Uani 1 1 d .
H19B H 0.3753 1.0052 0.3701 0.043 Uiso 1 1 d .
H19C H 0.4292 0.9837 0.3133 0.043 Uiso 1 1 d .
O20 O 0.99044(14) 1.19893(13) -0.11329(13) 0.0317(6) Uani 1 1 d .
H20B H 1.0367 1.1868 -0.0880 0.038 Uiso 1 1 d .
H20C H 0.9719 1.2448 -0.0923 0.038 Uiso 1 1 d .
O21 O 0.93242(17) 1.00018(15) -0.15489(15) 0.0461(7) Uani 1 1 d .
H21A H 0.9565 0.9990 -0.1133 0.055 Uiso 1 1 d .
H21B H 0.9754 1.0034 -0.1843 0.055 Uiso 1 1 d .
O22 O 0.78121(14) 1.07573(13) -0.24717(13) 0.0294(6) Uani 1 1 d .
H22B H 0.8092 1.0796 -0.2866 0.035 Uiso 1 1 d .
H22C H 0.7628 1.0227 -0.2433 0.035 Uiso 1 1 d .
O101 O 0.4084(2) 1.3979(2) 0.0457(2) 0.0864(11) Uani 1 1 d .
H10I H 0.4569 1.3766 0.0289 0.104 Uiso 1 1 d .
H10J H 0.3790 1.3498 0.0467 0.104 Uiso 1 1 d .
O102 O 1.0735(2) 0.9671(2) -0.0608(2) 0.0956(12) Uani 1 1 d .
H10C H 1.0870 1.0018 -0.0265 0.115 Uiso 1 1 d .
H10D H 1.0885 0.9133 -0.0546 0.115 Uiso 1 1 d .
O103 O 0.5842(2) 1.40625(19) -0.02148(19) 0.0743(10) Uani 1 1 d .
H10G H 0.5828 1.4626 -0.0206 0.089 Uiso 1 1 d .
H10H H 0.6275 1.3767 -0.0043 0.089 Uiso 1 1 d .
O104 O 0.88602(18) 0.80780(18) -0.25840(18) 0.0665(9) Uani 1 1 d .
H10A H 0.9145 0.8563 -0.2566 0.080 Uiso 1 1 d .
H10B H 0.9010 0.7549 -0.2674 0.080 Uiso 1 1 d .
O105 O 0.40044(19) 0.85226(19) 0.27164(17) 0.0669(9) Uani 1 1 d .
H10E H 0.4149 0.8413 0.2283 0.080 Uiso 1 1 d .
H10F H 0.3460 0.8611 0.2604 0.080 Uiso 1 1 d .
N1 N 1.13497(15) 1.02437(14) -0.47944(14) 0.0165(6) Uani 1 1 d .
N2 N 0.63889(15) 1.01204(14) 0.02429(14) 0.0149(5) Uani 1 1 d .
N3 N 0.83188(17) 1.26506(15) -0.20528(15) 0.0223(6) Uani 1 1 d .
N4 N 0.65494(17) 1.70897(16) -0.28564(15) 0.0239(6) Uani 1 1 d .
C1 C 1.0318(2) 0.93227(18) -0.40686(18) 0.0197(7) Uani 1 1 d .
C2 C 1.07191(19) 1.02596(18) -0.42542(16) 0.0158(7) Uani 1 1 d .
C3 C 1.04631(19) 1.10786(18) -0.39189(17) 0.0188(7) Uani 1 1 d .
C4 C 0.9684(2) 1.11550(17) -0.33744(18) 0.0188(7) Uani 1 1 d .
C5 C 1.0897(2) 1.18728(19) -0.41677(18) 0.0232(7) Uani 1 1 d .
H5A H 1.0743 1.2431 -0.3951 0.028 Uiso 1 1 calc R
C6 C 1.1548(2) 1.18517(18) -0.47245(18) 0.0195(7) Uani 1 1 d .
C7 C 1.2007(2) 1.27389(19) -0.49426(18) 0.0229(8) Uani 1 1 d .
C8 C 1.17650(19) 1.10052(18) -0.50432(17) 0.0181(7) Uani 1 1 d .
C9 C 1.24506(19) 1.08247(18) -0.56654(18) 0.0190(7) Uani 1 1 d .
C10 C 0.5195(2) 0.93282(18) 0.08972(18) 0.0183(7) Uani 1 1 d .
C11 C 0.57437(19) 1.02006(17) 0.07694(17) 0.0157(7) Uani 1 1 d .
C12 C 0.56337(19) 1.10202(18) 0.11539(17) 0.0167(7) Uani 1 1 d .
C13 C 0.4808(2) 1.12202(17) 0.16425(18) 0.0188(7) Uani 1 1 d .
C14 C 0.6280(2) 1.17137(18) 0.10273(18) 0.0222(7) Uani 1 1 d .
H14A H 0.6248 1.2255 0.1299 0.027 Uiso 1 1 calc R
C15 C 0.69728(19) 1.15986(17) 0.04956(17) 0.0175(7) Uani 1 1 d .
C16 C 0.7724(2) 1.23086(19) 0.04160(17) 0.0212(7) Uani 1 1 d .
C17 C 0.69760(19) 1.07943(17) 0.00811(17) 0.0167(7) Uani 1 1 d .
C18 C 0.75688(19) 1.05993(18) -0.05980(17) 0.0180(7) Uani 1 1 d .
C19 C 0.7511(2) 1.2931(2) -0.1785(2) 0.0435(11) Uani 1 1 d .
H19A H 0.7182 1.2529 -0.1483 0.052 Uiso 1 1 calc R
C20 C 0.7131(3) 1.3778(2) -0.1926(2) 0.0478(11) Uani 1 1 d .
H20A H 0.6560 1.3932 -0.1726 0.057 Uiso 1 1 calc R
C21 C 0.7606(2) 1.44020(19) -0.23680(18) 0.0241(7) Uani 1 1 d .
C22 C 0.8437(2) 1.4110(2) -0.2644(2) 0.0417(10) Uani 1 1 d .
H22A H 0.8788 1.4500 -0.2939 0.050 Uiso 1 1 calc R
C23 C 0.8756(2) 1.3246(2) -0.2487(2) 0.0363(9) Uani 1 1 d .
H23A H 0.9314 1.3066 -0.2698 0.044 Uiso 1 1 calc R
C24 C 0.6251(2) 1.6605(2) -0.2287(2) 0.0468(11) Uani 1 1 d .
H24A H 0.5799 1.6860 -0.1984 0.056 Uiso 1 1 calc R
C25 C 0.6569(3) 1.5742(2) -0.2114(2) 0.0534(13) Uani 1 1 d .
H25A H 0.6325 1.5436 -0.1704 0.064 Uiso 1 1 calc R
C26 C 0.7236(2) 1.5328(2) -0.25325(19) 0.0252(8) Uani 1 1 d .
C27 C 0.7520(3) 1.5818(2) -0.3144(2) 0.0465(11) Uani 1 1 d .
H27A H 0.7956 1.5571 -0.3467 0.056 Uiso 1 1 calc R
C28 C 0.7161(3) 1.6673(2) -0.3283(2) 0.0467(11) Uani 1 1 d .
H28A H 0.7365 1.6979 -0.3707 0.056 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
O14 Zn1 O3 104.47(9) . 4_586
O14 Zn1 N1 132.84(10) . 2_754
O3 Zn1 N1 116.70(9) 4_586 2_754
O14 Zn1 O2 105.45(8) . 2_754
O3 Zn1 O2 115.19(8) 4_586 2_754
N1 Zn1 O2 77.74(8) 2_754 2_754
O14 Zn1 O8 88.85(8) . 2_754
O3 Zn1 O8 84.46(8) 4_586 2_754
N1 Zn1 O8 73.98(8) 2_754 2_754
O2 Zn1 O8 150.80(7) 2_754 2_754
O18 Zn2 O19 88.55(9) . .
O18 Zn2 O11 87.75(9) . .
O19 Zn2 O11 83.70(8) . .
O18 Zn2 N4 91.39(9) . 3_685
O19 Zn2 N4 176.91(9) . 3_685
O11 Zn2 N4 99.39(9) . 3_685
O18 Zn2 O17 178.59(8) . .
O19 Zn2 O17 92.56(9) . .
O11 Zn2 O17 93.23(8) . .
N4 Zn2 O17 87.45(9) 3_685 .
O18 Zn2 O7 94.39(9) . 1_456
O19 Zn2 O7 86.85(7) . 1_456
O11 Zn2 O7 170.26(7) . 1_456
N4 Zn2 O7 90.07(8) 3_685 1_456
O17 Zn2 O7 84.81(8) . 1_456
O6 Zn3 O12 94.03(9) 4_486 .
O6 Zn3 N2 139.97(10) 4_486 3_675
O12 Zn3 N2 125.12(9) . 3_675
O6 Zn3 O9 101.39(8) 4_486 3_675
O12 Zn3 O9 106.17(8) . 3_675
N2 Zn3 O9 77.40(8) 3_675 3_675
O6 Zn3 O15 98.50(8) 4_486 3_675
O12 Zn3 O15 89.34(8) . 3_675
N2 Zn3 O15 76.28(8) 3_675 3_675
O9 Zn3 O15 153.68(7) 3_675 3_675
O16 Zn4 O21 88.90(9) . .
O16 Zn4 O20 91.11(9) . .
O21 Zn4 O20 95.73(9) . .
O16 Zn4 N3 89.53(8) . .
O21 Zn4 N3 174.71(10) . .
O20 Zn4 N3 89.35(9) . .
O16 Zn4 O22 89.42(8) . .
O21 Zn4 O22 87.79(9) . .
O20 Zn4 O22 176.45(8) . .
N3 Zn4 O22 87.14(9) . .
O16 Zn4 O4 175.22(8) . .
O21 Zn4 O4 86.43(9) . .
O20 Zn4 O4 88.37(8) . .
N3 Zn4 O4 95.22(9) . .
O22 Zn4 O4 91.40(8) . .
C1 O2 Zn1 116.44(17) . 2_744
C4 O3 Zn1 132.33(19) . 4_585
C4 O4 Zn4 127.4(2) . .
C7 O6 Zn3 123.19(19) . 4_685
C9 O7 Zn2 129.69(18) . 1_654
C9 O8 Zn1 114.91(17) . 2_744
C10 O9 Zn3 115.83(17) . 3_675
C13 O11 Zn2 127.0(2) . .
C13 O12 Zn3 138.36(19) . .
C16 O14 Zn1 111.96(19) . .
C18 O15 Zn3 113.67(17) . 3_675
C18 O16 Zn4 130.25(19) . .
Zn2 O17 H17A 101.9 . .
Zn2 O17 H17B 104.1 . .
H17A O17 H17B 109.4 . .
Zn2 O18 H18A 119.2 . .
Zn2 O18 H18B 118.6 . .
H18A O18 H18B 103.7 . .
Zn2 O19 H19B 99.8 . .
Zn2 O19 H19C 114.3 . .
H19B O19 H19C 106.2 . .
Zn4 O20 H20B 140.6 . .
Zn4 O20 H20C 113.2 . .
H20B O20 H20C 101.0 . .
Zn4 O21 H21A 109.0 . .
Zn4 O21 H21B 92.9 . .
H21A O21 H21B 105.2 . .
Zn4 O22 H22B 96.2 . .
Zn4 O22 H22C 123.9 . .
H22B O22 H22C 107.4 . .
H10I O101 H10J 97.2 . .
H10C O102 H10D 115.3 . .
H10G O103 H10H 122.6 . .
H10A O104 H10B 133.7 . .
H10E O105 H10F 92.7 . .
C2 N1 C8 122.4(2) . .
C2 N1 Zn1 116.86(17) . 2_744
C8 N1 Zn1 120.51(19) . 2_744
C17 N2 C11 122.5(2) . .
C17 N2 Zn3 119.21(18) . 3_675
C11 N2 Zn3 118.32(17) . 3_675
C23 N3 C19 115.5(3) . .
C23 N3 Zn4 122.4(2) . .
C19 N3 Zn4 122.0(2) . .
C24 N4 C28 114.9(3) . .
C24 N4 Zn2 126.5(2) . 3_685
C28 N4 Zn2 118.6(2) . 3_685
O1 C1 O2 127.0(3) . .
O1 C1 C2 118.0(3) . .
O2 C1 C2 114.9(2) . .
N1 C2 C3 120.8(2) . .
N1 C2 C1 113.9(2) . .
C3 C2 C1 125.3(2) . .
C2 C3 C5 117.3(3) . .
C2 C3 C4 123.2(2) . .
C5 C3 C4 119.2(2) . .
O4 C4 O3 124.5(3) . .
O4 C4 C3 119.5(3) . .
O3 C4 C3 115.9(3) . .
C6 C5 C3 121.6(3) . .
C6 C5 H5A 119.2 . .
C3 C5 H5A 119.2 . .
C5 C6 C8 118.1(2) . .
C5 C6 C7 118.2(2) . .
C8 C6 C7 123.7(3) . .
O5 C7 O6 126.7(3) . .
O5 C7 C6 120.2(3) . .
O6 C7 C6 113.1(3) . .
N1 C8 C6 119.8(3) . .
N1 C8 C9 113.2(2) . .
C6 C8 C9 127.0(2) . .
O7 C9 O8 126.7(3) . .
O7 C9 C8 118.0(2) . .
O8 C9 C8 115.3(2) . .
O10 C10 O9 127.0(3) . .
O10 C10 C11 118.2(3) . .
O9 C10 C11 114.8(2) . .
N2 C11 C12 120.4(2) . .
N2 C11 C10 113.6(2) . .
C12 C11 C10 126.0(3) . .
C11 C12 C14 117.8(3) . .
C11 C12 C13 123.0(2) . .
C14 C12 C13 119.0(2) . .
O11 C13 O12 124.5(3) . .
O11 C13 C12 119.3(3) . .
O12 C13 C12 116.0(3) . .
C15 C14 C12 120.4(3) . .
C15 C14 H14A 119.8 . .
C12 C14 H14A 119.8 . .
C17 C15 C14 118.0(2) . .
C17 C15 C16 121.8(3) . .
C14 C15 C16 120.1(2) . .
O13 C16 O14 125.4(3) . .
O13 C16 C15 119.2(3) . .
O14 C16 C15 115.3(3) . .
N2 C17 C15 120.4(3) . .
N2 C17 C18 113.4(2) . .
C15 C17 C18 126.1(2) . .
O16 C18 O15 127.5(3) . .
O16 C18 C17 116.2(2) . .
O15 C18 C17 116.4(2) . .
N3 C19 C20 124.2(3) . .
N3 C19 H19A 117.9 . .
C20 C19 H19A 117.9 . .
C19 C20 C21 119.7(3) . .
C19 C20 H20A 120.2 . .
C21 C20 H20A 120.2 . .
C22 C21 C20 115.9(3) . .
C22 C21 C26 122.0(3) . .
C20 C21 C26 122.1(3) . .
C21 C22 C23 120.6(3) . .
C21 C22 H22A 119.7 . .
C23 C22 H22A 119.7 . .
N3 C23 C22 124.1(3) . .
N3 C23 H23A 117.9 . .
C22 C23 H23A 117.9 . .
N4 C24 C25 123.9(3) . .
N4 C24 H24A 118.1 . .
C25 C24 H24A 118.1 . .
C26 C25 C24 121.3(3) . .
C26 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C25 C26 C27 114.8(3) . .
C25 C26 C21 123.5(3) . .
C27 C26 C21 121.7(3) . .
C26 C27 C28 120.3(3) . .
C26 C27 H27A 119.8 . .
C28 C27 H27A 119.8 . .
N4 C28 C27 124.6(3) . .
N4 C28 H28A 117.7 . .
C27 C28 H28A 117.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O14 1.9470(19) .
Zn1 O3 1.978(2) 4_586
Zn1 N1 2.046(2) 2_754
Zn1 O2 2.1031(19) 2_754
Zn1 O8 2.2490(18) 2_754
Zn2 O18 2.043(2) .
Zn2 O19 2.113(2) .
Zn2 O11 2.149(2) .
Zn2 N4 2.156(2) 3_685
Zn2 O17 2.159(2) .
Zn2 O7 2.1941(19) 1_456
Zn3 O6 1.9251(19) 4_486
Zn3 O12 1.961(2) .
Zn3 N2 2.012(2) 3_675
Zn3 O9 2.1288(19) 3_675
Zn3 O15 2.2151(19) 3_675
Zn4 O16 2.088(2) .
Zn4 O21 2.099(2) .
Zn4 O20 2.099(2) .
Zn4 N3 2.137(2) .
Zn4 O22 2.155(2) .
Zn4 O4 2.173(2) .
O1 C1 1.220(3) .
O2 C1 1.280(3) .
O2 Zn1 2.1031(19) 2_744
O3 C4 1.260(4) .
O3 Zn1 1.978(2) 4_585
O4 C4 1.244(4) .
O5 C7 1.228(4) .
O6 C7 1.269(4) .
O6 Zn3 1.9251(19) 4_685
O7 C9 1.247(3) .
O7 Zn2 2.1941(19) 1_654
O8 C9 1.259(3) .
O8 Zn1 2.2490(18) 2_744
O9 C10 1.278(3) .
O9 Zn3 2.1287(19) 3_675
O10 C10 1.219(3) .
O11 C13 1.231(4) .
O12 C13 1.263(4) .
O13 C16 1.219(3) .
O14 C16 1.279(3) .
O15 C18 1.252(3) .
O15 Zn3 2.2152(19) 3_675
O16 C18 1.252(3) .
O17 H17A 0.8219 .
O17 H17B 0.8184 .
O18 H18A 0.8230 .
O18 H18B 0.8220 .
O19 H19B 0.8296 .
O19 H19C 0.8216 .
O20 H20B 0.8258 .
O20 H20C 0.8150 .
O21 H21A 0.8207 .
O21 H21B 0.8171 .
O22 H22B 0.8162 .
O22 H22C 0.8229 .
O101 H10I 0.8255 .
O101 H10J 0.8221 .
O102 H10C 0.8193 .
O102 H10D 0.8237 .
O103 H10G 0.8238 .
O103 H10H 0.8196 .
O104 H10A 0.8200 .
O104 H10B 0.8183 .
O105 H10E 0.8196 .
O105 H10F 0.8226 .
N1 C2 1.332(3) .
N1 C8 1.342(3) .
N1 Zn1 2.046(2) 2_744
N2 C17 1.333(3) .
N2 C11 1.334(3) .
N2 Zn3 2.012(2) 3_675
N3 C23 1.328(4) .
N3 C19 1.329(4) .
N4 C24 1.314(4) .
N4 C28 1.320(4) .
N4 Zn2 2.156(2) 3_685
C1 C2 1.524(4) .
C2 C3 1.390(4) .
C3 C5 1.394(4) .
C3 C4 1.497(4) .
C5 C6 1.373(4) .
C5 H5A 0.9300 .
C6 C8 1.398(4) .
C6 C7 1.509(4) .
C8 C9 1.517(4) .
C10 C11 1.520(4) .
C11 C12 1.391(4) .
C12 C14 1.398(4) .
C12 C13 1.511(4) .
C14 C15 1.394(4) .
C14 H14A 0.9300 .
C15 C17 1.390(4) .
C15 C16 1.510(4) .
C17 C18 1.516(4) .
C19 C20 1.378(4) .
C19 H19A 0.9300 .
C20 C21 1.391(4) .
C20 H20A 0.9300 .
C21 C22 1.369(4) .
C21 C26 1.484(4) .
C22 C23 1.374(4) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 C25 1.377(4) .
C24 H24A 0.9300 .
C25 C26 1.366(4) .
C25 H25A 0.9300 .
C26 C27 1.371(4) .
C27 C28 1.376(4) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O17 H17A O12 0.82 1.96 2.729(3) 154.5 .
O17 H17A O15 0.82 2.61 3.122(3) 122.1 3_675
O17 H17B O104 0.82 1.93 2.711(3) 160.1 3_675
O18 H18A O9 0.82 1.91 2.725(3) 174.2 2_655
O18 H18B O103 0.82 1.89 2.699(4) 168.9 4_586
O19 H19B O8 0.83 1.89 2.707(3) 167.3 1_456
O19 H19C O105 0.82 2.10 2.826(4) 146.9 .
O20 H20B O5 0.83 2.06 2.886(3) 175.3 4_586
O20 H20C O2 0.81 1.98 2.787(3) 171.2 2_754
O21 H21A O102 0.82 1.99 2.683(4) 142.2 .
O21 H21B O4 0.82 2.43 2.925(3) 120.0 .
O22 H22B O3 0.82 1.87 2.667(3) 166.4 .
O22 H22C O17 0.82 1.97 2.787(3) 175.7 3_675
O101 H10I O103 0.83 2.10 2.821(4) 145.8 .
O101 H10J O6 0.82 2.36 3.173(4) 169.5 4_486
O102 H10C O5 0.82 2.61 3.211(4) 131.1 4_586
O102 H10D O13 0.82 2.00 2.807(4) 166.7 3_775
O103 H10G O101 0.82 2.09 2.897(4) 165.5 3_685
O103 H10H O14 0.82 2.01 2.820(4) 170.7 .
O104 H10A O1 0.82 2.25 2.796(3) 124.5 .
O105 H10E O10 0.82 2.19 2.797(4) 130.7 .
O105 H10F O22 0.82 2.07 2.864(3) 161.3 3_675
