#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:54:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179546 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/15/4501595.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_4501595
loop_
_publ_author_name
'Ma, Lu-Fang'
'Li, Cheng-Peng'
'Wang, Li-Ya'
'Du, Miao'
_publ_section_title
;
 Zn(II) and Cd(II) Coordination Polymers Assembled from a Versatile Tecton
 5-Nitro-1,2,3-benzenetricarboxylic Acid andN,N′-Donor Ancillary
 Coligands
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2641
_journal_paper_doi               10.1021/cg100139p
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C44 H36 N6 O18 Zn3'
_chemical_formula_weight         1132.90
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 120.7780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.016(3)
_cell_length_b                   23.278(3)
_cell_length_c                   12.1307(18)
_cell_measurement_reflns_used    7716
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      2.49
_cell_volume                     4613.4(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17344
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_T_max  0.8671
_exptl_absorpt_correction_T_min  0.6653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.246
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0322P)²+3.8757P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0619
_reflns_number_gt                3756
_reflns_number_total             4289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100139p_si_006.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4501595
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
Zn1 Zn 0.700039(13) 1.051131(9) 0.67952(2) 0.02332(7) Uani 1 1 d .
Zn2 Zn 0.5000 1.022976(12) 0.2500 0.02041(8) Uani 1 2 d S
O1 O 0.60810(8) 0.99426(5) 0.65908(13) 0.0261(3) Uani 1 1 d .
O2 O 0.55772(8) 0.91874(5) 0.70588(13) 0.0265(3) Uani 1 1 d .
O3 O 0.68448(8) 1.01424(5) 0.50657(12) 0.0244(3) Uani 1 1 d .
O4 O 0.56902(8) 0.96526(6) 0.37899(12) 0.0253(3) Uani 1 1 d .
O5 O 0.70469(8) 0.92293(6) 0.34547(12) 0.0278(3) Uani 1 1 d .
O6 O 0.81322(10) 0.86521(8) 0.44483(15) 0.0467(4) Uani 1 1 d .
O7 O 0.80337(11) 0.72913(7) 0.74617(17) 0.0529(5) Uani 1 1 d .
O8 O 0.72866(12) 0.74627(7) 0.82876(18) 0.0545(5) Uani 1 1 d .
O9 O 0.79662(9) 1.11583(6) 0.71131(14) 0.0353(3) Uani 1 1 d .
H1W H 0.8248 1.1230 0.7881 0.053 Uiso 1 1 d R
H2W H 0.7778 1.1471 0.6716 0.053 Uiso 1 1 d R
N1 N 0.75576(11) 0.75926(7) 0.75943(17) 0.0342(4) Uani 1 1 d .
N2 N 0.80214(10) 0.99618(7) 0.79403(16) 0.0281(4) Uani 1 1 d .
N3 N 0.88905(10) 0.61368(7) 0.92493(16) 0.0287(4) Uani 1 1 d .
C1 C 0.65333(11) 0.90108(8) 0.64040(17) 0.0205(4) Uani 1 1 d .
C2 C 0.67548(10) 0.91464(8) 0.54973(16) 0.0197(4) Uani 1 1 d .
C3 C 0.72688(11) 0.87740(8) 0.53197(17) 0.0227(4) Uani 1 1 d .
C4 C 0.75463(12) 0.82701(8) 0.60305(18) 0.0272(4) Uani 1 1 d .
H4 H 0.7897 0.8025 0.5934 0.033 Uiso 1 1 calc R
C5 C 0.72913(12) 0.81396(8) 0.68859(18) 0.0256(4) Uani 1 1 d .
C6 C 0.67894(11) 0.84970(8) 0.70792(18) 0.0244(4) Uani 1 1 d .
H6 H 0.6624 0.8397 0.7654 0.029 Uiso 1 1 calc R
C7 C 0.60270(11) 0.94140(8) 0.66924(17) 0.0206(4) Uani 1 1 d .
C8 C 0.64110(11) 0.96967(8) 0.47116(17) 0.0205(4) Uani 1 1 d .
C9 C 0.75141(12) 0.88918(8) 0.43314(18) 0.0257(4) Uani 1 1 d .
C10 C 0.80886(14) 0.97111(9) 0.8984(2) 0.0350(5) Uani 1 1 d .
H10 H 0.7689 0.9786 0.9191 0.042 Uiso 1 1 calc R
C11 C 0.87217(15) 0.93476(10) 0.9764(2) 0.0413(5) Uani 1 1 d .
H11 H 0.8742 0.9183 1.0479 0.050 Uiso 1 1 calc R
C12 C 0.93275(13) 0.92255(9) 0.9490(2) 0.0367(5) Uani 1 1 d .
C13 C 0.92566(15) 0.94872(11) 0.8416(3) 0.0488(6) Uani 1 1 d .
H13 H 0.9651 0.9422 0.8194 0.059 Uiso 1 1 calc R
C14 C 0.86020(14) 0.98461(10) 0.7668(2) 0.0415(6) Uani 1 1 d .
H14 H 0.8566 1.0014 0.6945 0.050 Uiso 1 1 calc R
C15 C 0.99896(14) 0.87940(9) 1.0270(3) 0.0483(6) Uani 1 1 d .
H15A H 1.0194 0.8853 1.1176 0.058 Uiso 1 1 calc R
H15B H 1.0441 0.8844 1.0122 0.058 Uiso 1 1 calc R
C16 C 0.96421(15) 0.81877(10) 0.9884(3) 0.0509(7) Uani 1 1 d .
H16A H 0.9175 0.8151 0.9998 0.061 Uiso 1 1 calc R
H16B H 0.9447 0.8134 0.8979 0.061 Uiso 1 1 calc R
C17 C 1.02535(14) 0.77118(10) 1.0643(3) 0.0511(7) Uani 1 1 d .
H17A H 1.0706 0.7725 1.0489 0.061 Uiso 1 1 calc R
H17B H 1.0470 0.7767 1.1553 0.061 Uiso 1 1 calc R
C18 C 0.94045(13) 0.63058(9) 0.8865(2) 0.0344(5) Uani 1 1 d .
H18 H 0.9444 0.6086 0.8259 0.041 Uiso 1 1 calc R
C19 C 0.98790(13) 0.67960(10) 0.9335(2) 0.0409(5) Uani 1 1 d .
H19 H 1.0232 0.6897 0.9050 0.049 Uiso 1 1 calc R
C20 C 0.98293(13) 0.71355(9) 1.0229(2) 0.0403(6) Uani 1 1 d .
C21 C 0.93252(15) 0.69441(10) 1.0663(2) 0.0419(6) Uani 1 1 d .
H21 H 0.9291 0.7149 1.1291 0.050 Uiso 1 1 calc R
C22 C 0.88734(13) 0.64488(9) 1.01628(19) 0.0349(5) Uani 1 1 d .
H22 H 0.8542 0.6326 1.0474 0.042 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
O5 Zn1 N3 90.25(6) 6_576 4_656
O5 Zn1 O1 85.25(5) 6_576 .
N3 Zn1 O1 90.00(6) 4_656 .
O5 Zn1 N2 88.28(6) 6_576 .
N3 Zn1 N2 172.59(6) 4_656 .
O1 Zn1 N2 97.11(6) . .
O5 Zn1 O3 171.80(5) 6_576 .
N3 Zn1 O3 91.29(6) 4_656 .
O1 Zn1 O3 86.70(5) . .
N2 Zn1 O3 91.19(6) . .
O5 Zn1 O9 90.76(5) 6_576 .
N3 Zn1 O9 88.57(6) 4_656 .
O1 Zn1 O9 175.76(5) . .
N2 Zn1 O9 84.19(6) . .
O3 Zn1 O9 97.33(5) . .
O4 Zn2 O4 93.91(8) 2_655 .
O4 Zn2 O2 119.24(6) 2_655 6_575
O4 Zn2 O2 116.46(5) . 6_575
O4 Zn2 O2 116.46(5) 2_655 5_676
O4 Zn2 O2 119.24(6) . 5_676
O2 Zn2 O2 93.66(7) 6_575 5_676
C7 O1 Zn1 135.66(12) . .
C7 O2 Zn2 112.15(12) . 5_676
C8 O3 Zn1 113.78(11) . .
C8 O4 Zn2 129.29(12) . .
C9 O5 Zn1 132.09(12) . 6_575
Zn1 O9 H1W 109.4 . .
Zn1 O9 H2W 114.1 . .
H1W O9 H2W 108.2 . .
O7 N1 O8 123.30(18) . .
O7 N1 C5 118.49(18) . .
O8 N1 C5 118.21(17) . .
C14 N2 C10 117.13(18) . .
C14 N2 Zn1 123.52(15) . .
C10 N2 Zn1 119.35(14) . .
C22 N3 C18 117.38(18) . .
C22 N3 Zn1 121.49(14) . 4_646
C18 N3 Zn1 120.09(14) . 4_646
C6 C1 C2 120.09(17) . .
C6 C1 C7 118.15(16) . .
C2 C1 C7 121.75(16) . .
C1 C2 C3 119.64(16) . .
C1 C2 C8 118.28(15) . .
C3 C2 C8 122.07(16) . .
C4 C3 C2 119.95(17) . .
C4 C3 C9 118.03(17) . .
C2 C3 C9 121.98(16) . .
C5 C4 C3 118.84(18) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C6 C5 C4 122.36(18) . .
C6 C5 N1 119.03(18) . .
C4 C5 N1 118.60(17) . .
C5 C6 C1 119.03(17) . .
C5 C6 H6 120.5 . .
C1 C6 H6 120.5 . .
O1 C7 O2 123.50(17) . .
O1 C7 C1 119.79(16) . .
O2 C7 C1 116.69(16) . .
O4 C8 O3 126.84(17) . .
O4 C8 C2 114.26(16) . .
O3 C8 C2 118.82(16) . .
O6 C9 O5 126.66(18) . .
O6 C9 C3 118.97(17) . .
O5 C9 C3 114.37(16) . .
N2 C10 C11 123.0(2) . .
N2 C10 H10 118.5 . .
C11 C10 H10 118.5 . .
C10 C11 C12 120.3(2) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 116.4(2) . .
C13 C12 C15 122.2(2) . .
C11 C12 C15 121.2(2) . .
C12 C13 C14 120.4(2) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
N2 C14 C13 122.8(2) . .
N2 C14 H14 118.6 . .
C13 C14 H14 118.6 . .
C12 C15 C16 109.39(18) . .
C12 C15 H15A 109.8 . .
C16 C15 H15A 109.8 . .
C12 C15 H15B 109.8 . .
C16 C15 H15B 109.8 . .
H15A C15 H15B 108.2 . .
C17 C16 C15 114.15(19) . .
C17 C16 H16A 108.7 . .
C15 C16 H16A 108.7 . .
C17 C16 H16B 108.7 . .
C15 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
C20 C17 C16 109.34(18) . .
C20 C17 H17A 109.8 . .
C16 C17 H17A 109.8 . .
C20 C17 H17B 109.8 . .
C16 C17 H17B 109.8 . .
H17A C17 H17B 108.3 . .
N3 C18 C19 122.5(2) . .
N3 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C20 C19 C18 120.2(2) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C21 C20 C19 116.9(2) . .
C21 C20 C17 121.0(2) . .
C19 C20 C17 121.9(2) . .
C22 C21 C20 120.0(2) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
N3 C22 C21 122.9(2) . .
N3 C22 H22 118.5 . .
C21 C22 H22 118.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O5 2.0599(13) 6_576
Zn1 N3 2.0973(17) 4_656
Zn1 O1 2.1040(13) .
Zn1 N2 2.1390(16) .
Zn1 O3 2.1428(13) .
Zn1 O9 2.2506(14) .
Zn2 O4 1.9684(13) 2_655
Zn2 O4 1.9684(13) .
Zn2 O2 1.9832(13) 6_575
Zn2 O2 1.9832(13) 5_676
O1 C7 1.246(2) .
O2 C7 1.264(2) .
O2 Zn2 1.9832(13) 5_676
O3 C8 1.257(2) .
O4 C8 1.253(2) .
O5 C9 1.253(2) .
O5 Zn1 2.0599(13) 6_575
O6 C9 1.242(2) .
O7 N1 1.219(2) .
O8 N1 1.228(2) .
O9 H1W 0.8200 .
O9 H2W 0.8444 .
N1 C5 1.474(2) .
N2 C14 1.332(3) .
N2 C10 1.340(3) .
N3 C22 1.339(3) .
N3 C18 1.339(3) .
N3 Zn1 2.0973(17) 4_646
C1 C6 1.389(3) .
C1 C2 1.400(3) .
C1 C7 1.508(2) .
C2 C3 1.403(3) .
C2 C8 1.529(2) .
C3 C4 1.390(3) .
C3 C9 1.517(3) .
C4 C5 1.385(3) .
C4 H4 0.9300 .
C5 C6 1.374(3) .
C6 H6 0.9300 .
C10 C11 1.377(3) .
C10 H10 0.9300 .
C11 C12 1.382(3) .
C11 H11 0.9300 .
C12 C13 1.381(3) .
C12 C15 1.507(3) .
C13 C14 1.384(3) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.527(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.527(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C20 1.513(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.384(3) .
C18 H18 0.9300 .
C19 C20 1.383(3) .
C19 H19 0.9300 .
C20 C21 1.382(4) .
C21 C22 1.379(3) .
C21 H21 0.9300 .
C22 H22 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
O9 H2W O8 0.84 2.31 3.074(2) 150.2 4_656
O9 H1W O6 0.82 2.04 2.721(2) 140.1 6_576
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
O5 Zn1 O1 C7 -108.11(17) 6_576
N3 Zn1 O1 C7 161.64(17) 4_656
N2 Zn1 O1 C7 -20.45(18) .
O3 Zn1 O1 C7 70.34(17) .
O9 Zn1 O1 C7 -128.0(7) .
O5 Zn1 O3 C8 0.0(4) 6_576
N3 Zn1 O3 C8 -100.81(13) 4_656
O1 Zn1 O3 C8 -10.88(12) .
N2 Zn1 O3 C8 86.17(13) .
O9 Zn1 O3 C8 170.47(12) .
O4 Zn2 O4 C8 155.35(17) 2_655
O2 Zn2 O4 C8 29.84(17) 6_575
O2 Zn2 O4 C8 -81.28(16) 5_676
O5 Zn1 N2 C14 -146.11(18) 6_576
N3 Zn1 N2 C14 -67.5(6) 4_656
O1 Zn1 N2 C14 128.90(18) .
O3 Zn1 N2 C14 42.08(18) .
O9 Zn1 N2 C14 -55.17(18) .
O5 Zn1 N2 C10 34.63(16) 6_576
N3 Zn1 N2 C10 113.2(5) 4_656
O1 Zn1 N2 C10 -50.36(16) .
O3 Zn1 N2 C10 -137.18(16) .
O9 Zn1 N2 C10 125.57(16) .
C6 C1 C2 C3 -3.1(3) .
C7 C1 C2 C3 176.04(16) .
C6 C1 C2 C8 175.89(16) .
C7 C1 C2 C8 -5.0(2) .
C1 C2 C3 C4 0.8(3) .
C8 C2 C3 C4 -178.09(17) .
C1 C2 C3 C9 178.63(17) .
C8 C2 C3 C9 -0.3(3) .
C2 C3 C4 C5 1.5(3) .
C9 C3 C4 C5 -176.43(17) .
C3 C4 C5 C6 -1.6(3) .
C3 C4 C5 N1 177.30(17) .
O7 N1 C5 C6 -176.59(19) .
O8 N1 C5 C6 3.6(3) .
O7 N1 C5 C4 4.5(3) .
O8 N1 C5 C4 -175.36(19) .
C4 C5 C6 C1 -0.6(3) .
N1 C5 C6 C1 -179.52(17) .
C2 C1 C6 C5 3.0(3) .
C7 C1 C6 C5 -176.18(17) .
Zn1 O1 C7 O2 148.64(14) .
Zn1 O1 C7 C1 -29.7(3) .
Zn2 O2 C7 O1 -1.8(2) 5_676
Zn2 O2 C7 C1 176.60(12) 5_676
C6 C1 C7 O1 148.47(18) .
C2 C1 C7 O1 -30.7(3) .
C6 C1 C7 O2 -30.0(2) .
C2 C1 C7 O2 150.90(17) .
Zn2 O4 C8 O3 4.6(3) .
Zn2 O4 C8 C2 -178.69(11) .
Zn1 O3 C8 O4 106.22(18) .
Zn1 O3 C8 C2 -70.34(17) .
C1 C2 C8 O4 -79.7(2) .
C3 C2 C8 O4 99.2(2) .
C1 C2 C8 O3 97.3(2) .
C3 C2 C8 O3 -83.8(2) .
Zn1 O5 C9 O6 5.8(3) 6_575
Zn1 O5 C9 C3 -173.61(12) 6_575
C4 C3 C9 O6 -22.4(3) .
C2 C3 C9 O6 159.80(19) .
C4 C3 C9 O5 157.11(17) .
C2 C3 C9 O5 -20.7(3) .
C14 N2 C10 C11 0.0(3) .
Zn1 N2 C10 C11 179.35(18) .
N2 C10 C11 C12 0.0(4) .
C10 C11 C12 C13 0.2(3) .
C10 C11 C12 C15 -175.2(2) .
C11 C12 C13 C14 -0.6(4) .
C15 C12 C13 C14 174.8(2) .
C10 N2 C14 C13 -0.4(3) .
Zn1 N2 C14 C13 -179.67(19) .
C12 C13 C14 N2 0.7(4) .
C13 C12 C15 C16 -98.9(3) .
C11 C12 C15 C16 76.3(3) .
C12 C15 C16 C17 -178.3(2) .
C15 C16 C17 C20 176.9(2) .
C22 N3 C18 C19 -2.8(3) .
Zn1 N3 C18 C19 165.63(16) 4_646
N3 C18 C19 C20 -0.6(3) .
C18 C19 C20 C21 3.4(3) .
C18 C19 C20 C17 -172.1(2) .
C16 C17 C20 C21 -77.9(3) .
C16 C17 C20 C19 97.4(3) .
C19 C20 C21 C22 -2.8(3) .
C17 C20 C21 C22 172.7(2) .
C18 N3 C22 C21 3.4(3) .
Zn1 N3 C22 C21 -164.88(17) 4_646
C20 C21 C22 N3 -0.6(3) .
