#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:27:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180080 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/26/7052609.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_7052609
loop_
_publ_author_name
'Lee, Yu Jin'
'Kim, Eun Young'
'Kim, Soo Hyun'
'Jang, Seung Pyo'
'Lee, Tae Geum'
'Kim, Cheal'
'Kim, Sung-Jin'
'Kim, Youngmee'
_publ_section_title
;
 Synthesis, crystal structures, photoluminescence, and catalytic
 reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D)
 constructed from cis-1,2-cyclohexanedicarboxylic acid and various
 bipyridyl ligands
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              833
_journal_paper_doi               10.1039/c0nj00869a
_journal_volume                  35
_journal_year                    2011
_chemical_formula_sum            'C36 H42 N4 O11 Zn2'
_chemical_formula_weight         837.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                113.677(2)
_cell_angle_beta                 100.094(2)
_cell_angle_gamma                91.366(2)
_cell_formula_units_Z            1
_cell_length_a                   8.9211(12)
_cell_length_b                   9.6889(13)
_cell_length_c                   11.3220(15)
_cell_measurement_reflns_used    2165
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.31
_cell_volume                     877.5(2)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4915
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.435
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.488
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3360
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0312
_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)+(0.0288P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                2691
_reflns_number_total             3360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0nj00869a.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7052609
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.23164(3) 0.18267(3) 0.49677(2) 0.02980(10) Uani 1 1 d . . .
O1 O 0.01961(19) 0.09510(19) 0.36870(16) 0.0360(4) Uani 1 1 d D . .
H1A H 0.050(3) 0.015(2) 0.3014(19) 0.072(10) Uiso 1 1 d D . .
H1B H -0.0670(18) 0.055(3) 0.384(2) 0.058(9) Uiso 1 1 d D . .
O11 O 0.23599(18) 0.03833(18) 0.59784(14) 0.0335(4) Uani 1 1 d . . .
O12 O 0.43151(18) 0.21027(17) 0.66181(15) 0.0347(4) Uani 1 1 d . . .
O13 O 0.65262(18) -0.06041(17) 0.64489(14) 0.0346(4) Uani 1 1 d . . .
O14 O 0.8414(2) 0.0967(2) 0.80013(18) 0.0626(6) Uani 1 1 d . . .
N21 N 0.2726(2) 0.3830(2) 0.46716(17) 0.0279(4) Uani 1 1 d . . .
N22 N 0.1247(2) 0.3517(2) 0.64002(17) 0.0313(5) Uani 1 1 d . . .
C11 C 0.3633(3) 0.1052(2) 0.6745(2) 0.0273(5) Uani 1 1 d . . .
C12 C 0.4228(3) 0.0545(3) 0.7835(2) 0.0298(5) Uani 1 1 d . . .
H12 H 0.4089 -0.0565 0.7446 0.036 Uiso 1 1 calc R . .
C13 C 0.5924(3) 0.1035(3) 0.8487(2) 0.0309(5) Uani 1 1 d . . .
H13 H 0.6129 0.0541 0.9094 0.037 Uiso 1 1 calc R . .
C14 C 0.6261(3) 0.2727(3) 0.9369(2) 0.0407(6) Uani 1 1 d . . .
H14A H 0.7331 0.2950 0.9807 0.049 Uiso 1 1 calc R . .
H14B H 0.6077 0.3298 0.8833 0.049 Uiso 1 1 calc R . .
C15 C 0.5262(3) 0.3213(3) 1.0397(2) 0.0563(8) Uani 1 1 d . . .
H15A H 0.5529 0.2730 1.0997 0.068 Uiso 1 1 calc R . .
H15B H 0.5447 0.4301 1.0904 0.068 Uiso 1 1 calc R . .
C16 C 0.3576(3) 0.2782(3) 0.9747(3) 0.0568(8) Uani 1 1 d . . .
H16A H 0.2965 0.3060 1.0422 0.068 Uiso 1 1 calc R . .
H16B H 0.3287 0.3341 0.9213 0.068 Uiso 1 1 calc R . .
C17 C 0.3244(3) 0.1103(3) 0.8893(2) 0.0463(7) Uani 1 1 d . . .
H17A H 0.2171 0.0879 0.8464 0.056 Uiso 1 1 calc R . .
H17B H 0.3428 0.0552 0.9446 0.056 Uiso 1 1 calc R . .
C18 C 0.7037(3) 0.0437(3) 0.7562(2) 0.0328(6) Uani 1 1 d . . .
C21 C 0.3460(3) 0.3914(3) 0.3753(2) 0.0336(6) Uani 1 1 d . . .
H21 H 0.3797 0.3037 0.3189 0.040 Uiso 1 1 calc R . .
C22 C 0.3731(3) 0.5235(3) 0.3615(2) 0.0372(6) Uani 1 1 d . . .
H22 H 0.4253 0.5253 0.2978 0.045 Uiso 1 1 calc R . .
C23 C 0.3218(3) 0.6531(3) 0.4434(2) 0.0415(6) Uani 1 1 d . . .
H23 H 0.3387 0.7441 0.4361 0.050 Uiso 1 1 calc R . .
C24 C 0.2447(3) 0.6461(3) 0.5370(2) 0.0359(6) Uani 1 1 d . . .
H24 H 0.2085 0.7326 0.5929 0.043 Uiso 1 1 calc R . .
C25 C 0.2215(2) 0.5095(2) 0.5471(2) 0.0281(5) Uani 1 1 d . . .
C26 C 0.1399(3) 0.4923(3) 0.6445(2) 0.0291(5) Uani 1 1 d . . .
C27 C 0.0797(3) 0.6107(3) 0.7342(2) 0.0400(6) Uani 1 1 d . . .
H27 H 0.0905 0.7075 0.7365 0.048 Uiso 1 1 calc R . .
C28 C 0.0033(3) 0.5834(3) 0.8204(2) 0.0449(7) Uani 1 1 d . . .
H28 H -0.0362 0.6621 0.8820 0.054 Uiso 1 1 calc R . .
C29 C -0.0135(3) 0.4398(3) 0.8142(2) 0.0447(7) Uani 1 1 d . . .
H29 H -0.0657 0.4187 0.8703 0.054 Uiso 1 1 calc R . .
C210 C 0.0489(3) 0.3274(3) 0.7227(2) 0.0408(6) Uani 1 1 d . . .
H210 H 0.0377 0.2296 0.7183 0.049 Uiso 1 1 calc R . .
O1W O 0.9863(10) 0.9423(7) 0.9646(7) 0.147(3) Uiso 0.50 1 d P . .
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
_geom_angle_publ_flag
O13 Zn1 O1 92.16(6) 2_656 . ?
O13 Zn1 O11 98.68(6) 2_656 . ?
O1 Zn1 O11 98.30(6) . . ?
O13 Zn1 N21 92.21(7) 2_656 . ?
O1 Zn1 N21 99.80(7) . . ?
O11 Zn1 N21 158.46(6) . . ?
O13 Zn1 N22 168.24(7) 2_656 . ?
O1 Zn1 N22 91.02(7) . . ?
O11 Zn1 N22 92.06(6) . . ?
N21 Zn1 N22 76.08(7) . . ?
O13 Zn1 O12 92.53(6) 2_656 . ?
O1 Zn1 O12 157.84(6) . . ?
O11 Zn1 O12 59.57(6) . . ?
N21 Zn1 O12 101.64(6) . . ?
N22 Zn1 O12 88.76(6) . . ?
O13 Zn1 C11 97.05(6) 2_656 . ?
O1 Zn1 C11 128.51(7) . . ?
O11 Zn1 C11 30.24(6) . . ?
N21 Zn1 C11 130.10(7) . . ?
N22 Zn1 C11 89.80(7) . . ?
O12 Zn1 C11 29.34(6) . . ?
Zn1 O1 H1A 99.8(18) . . ?
Zn1 O1 H1B 128.2(16) . . ?
H1A O1 H1B 105(2) . . ?
C11 O11 Zn1 92.63(13) . . ?
C11 O12 Zn1 87.20(13) . . ?
C18 O13 Zn1 129.03(16) . 2_656 ?
C25 N21 C21 118.4(2) . . ?
C25 N21 Zn1 116.81(14) . . ?
C21 N21 Zn1 124.78(15) . . ?
C210 N22 C26 118.9(2) . . ?
C210 N22 Zn1 125.61(17) . . ?
C26 N22 Zn1 115.53(15) . . ?
O12 C11 O11 120.5(2) . . ?
O12 C11 C12 122.3(2) . . ?
O11 C11 C12 117.1(2) . . ?
O12 C11 Zn1 63.46(12) . . ?
O11 C11 Zn1 57.13(11) . . ?
C12 C11 Zn1 172.96(16) . . ?
C11 C12 C13 115.56(18) . . ?
C11 C12 C17 109.35(19) . . ?
C13 C12 C17 109.58(18) . . ?
C11 C12 H12 107.3 . . ?
C13 C12 H12 107.3 . . ?
C17 C12 H12 107.3 . . ?
C18 C13 C14 113.5(2) . . ?
C18 C13 C12 114.92(18) . . ?
C14 C13 C12 113.36(19) . . ?
C18 C13 H13 104.5 . . ?
C14 C13 H13 104.5 . . ?
C12 C13 H13 104.5 . . ?
C15 C14 C13 111.1(2) . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 110.8(2) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 111.4(2) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C12 112.8(2) . . ?
C16 C17 H17A 109.0 . . ?
C12 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C12 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
O13 C18 O14 124.9(2) . . ?
O13 C18 C13 117.7(2) . . ?
O14 C18 C13 117.3(2) . . ?
N21 C21 C22 122.9(2) . . ?
N21 C21 H21 118.5 . . ?
C22 C21 H21 118.5 . . ?
C21 C22 C23 118.8(2) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C22 C23 C24 119.0(2) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C23 C24 C25 119.7(2) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
N21 C25 C24 121.1(2) . . ?
N21 C25 C26 115.8(2) . . ?
C24 C25 C26 123.1(2) . . ?
N22 C26 C27 120.8(2) . . ?
N22 C26 C25 115.7(2) . . ?
C27 C26 C25 123.4(2) . . ?
C28 C27 C26 119.4(2) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C29 C28 C27 119.5(2) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C210 118.2(2) . . ?
C28 C29 H29 120.9 . . ?
C210 C29 H29 120.9 . . ?
N22 C210 C29 123.2(2) . . ?
N22 C210 H210 118.4 . . ?
C29 C210 H210 118.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O13 2.0383(15) 2_656 ?
Zn1 O1 2.0915(17) . ?
Zn1 O11 2.1305(16) . ?
Zn1 N21 2.1320(18) . ?
Zn1 N22 2.1693(18) . ?
Zn1 O12 2.2694(16) . ?
Zn1 C11 2.534(2) . ?
O1 H1A 0.93(2) . ?
O1 H1B 0.93(2) . ?
O11 C11 1.277(3) . ?
O12 C11 1.243(2) . ?
O13 C18 1.252(3) . ?
O13 Zn1 2.0383(15) 2_656 ?
O14 C18 1.253(3) . ?
N21 C25 1.345(3) . ?
N21 C21 1.350(3) . ?
N22 C210 1.334(3) . ?
N22 C26 1.346(3) . ?
C11 C12 1.522(3) . ?
C12 C13 1.533(3) . ?
C12 C17 1.539(3) . ?
C12 H12 0.9800 . ?
C13 C18 1.525(3) . ?
C13 C14 1.527(3) . ?
C13 H13 0.9800 . ?
C14 C15 1.522(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.521(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.511(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C21 C22 1.371(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.382(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.388(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.481(3) . ?
C26 C27 1.386(3) . ?
C27 C28 1.385(3) . ?
C27 H27 0.9300 . ?
C28 C29 1.368(4) . ?
C28 H28 0.9300 . ?
C29 C210 1.377(3) . ?
C29 H29 0.9300 . ?
C210 H210 0.9300 . ?
O1W O1W 1.073(11) 2_777 ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O13 Zn1 O11 C11 89.12(12) 2_656 . . . ?
O1 Zn1 O11 C11 -177.39(12) . . . . ?
N21 Zn1 O11 C11 -30.4(2) . . . . ?
N22 Zn1 O11 C11 -86.06(12) . . . . ?
O12 Zn1 O11 C11 1.29(11) . . . . ?
O13 Zn1 O12 C11 -99.91(12) 2_656 . . . ?
O1 Zn1 O12 C11 2.1(2) . . . . ?
O11 Zn1 O12 C11 -1.33(11) . . . . ?
N21 Zn1 O12 C11 167.30(12) . . . . ?
N22 Zn1 O12 C11 91.79(12) . . . . ?
O13 Zn1 N21 C25 -176.92(15) 2_656 . . . ?
O1 Zn1 N21 C25 90.51(15) . . . . ?
O11 Zn1 N21 C25 -56.3(2) . . . . ?
N22 Zn1 N21 C25 1.89(14) . . . . ?
O12 Zn1 N21 C25 -83.88(15) . . . . ?
C11 Zn1 N21 C25 -75.78(17) . . . . ?
O13 Zn1 N21 C21 2.71(18) 2_656 . . . ?
O1 Zn1 N21 C21 -89.86(18) . . . . ?
O11 Zn1 N21 C21 123.3(2) . . . . ?
N22 Zn1 N21 C21 -178.47(19) . . . . ?
O12 Zn1 N21 C21 95.76(18) . . . . ?
C11 Zn1 N21 C21 103.85(18) . . . . ?
O13 Zn1 N22 C210 -175.7(3) 2_656 . . . ?
O1 Zn1 N22 C210 78.7(2) . . . . ?
O11 Zn1 N22 C210 -19.7(2) . . . . ?
N21 Zn1 N22 C210 178.5(2) . . . . ?
O12 Zn1 N22 C210 -79.18(19) . . . . ?
C11 Zn1 N22 C210 -49.9(2) . . . . ?
O13 Zn1 N22 C26 3.4(4) 2_656 . . . ?
O1 Zn1 N22 C26 -102.25(16) . . . . ?
O11 Zn1 N22 C26 159.40(16) . . . . ?
N21 Zn1 N22 C26 -2.40(15) . . . . ?
O12 Zn1 N22 C26 99.91(16) . . . . ?
C11 Zn1 N22 C26 129.24(16) . . . . ?
Zn1 O12 C11 O11 2.22(18) . . . . ?
Zn1 O12 C11 C12 -175.39(18) . . . . ?
Zn1 O11 C11 O12 -2.4(2) . . . . ?
Zn1 O11 C11 C12 175.37(16) . . . . ?
O13 Zn1 C11 O12 82.58(12) 2_656 . . . ?
O1 Zn1 C11 O12 -178.98(11) . . . . ?
O11 Zn1 C11 O12 177.73(19) . . . . ?
N21 Zn1 C11 O12 -16.34(15) . . . . ?
N22 Zn1 C11 O12 -87.83(12) . . . . ?
O13 Zn1 C11 O11 -95.15(12) 2_656 . . . ?
O1 Zn1 C11 O11 3.30(15) . . . . ?
N21 Zn1 C11 O11 165.93(11) . . . . ?
N22 Zn1 C11 O11 94.44(12) . . . . ?
O12 Zn1 C11 O11 -177.73(19) . . . . ?
O12 C11 C12 C13 -18.5(3) . . . . ?
O11 C11 C12 C13 163.84(17) . . . . ?
O12 C11 C12 C17 105.7(2) . . . . ?
O11 C11 C12 C17 -72.0(2) . . . . ?
C11 C12 C13 C18 -61.0(3) . . . . ?
C17 C12 C13 C18 175.0(2) . . . . ?
C11 C12 C13 C14 71.8(2) . . . . ?
C17 C12 C13 C14 -52.2(3) . . . . ?
C18 C13 C14 C15 -172.1(2) . . . . ?
C12 C13 C14 C15 54.5(3) . . . . ?
C13 C14 C15 C16 -55.2(3) . . . . ?
C14 C15 C16 C17 56.4(3) . . . . ?
C15 C16 C17 C12 -56.1(3) . . . . ?
C11 C12 C17 C16 -74.6(3) . . . . ?
C13 C12 C17 C16 53.0(3) . . . . ?
Zn1 O13 C18 O14 2.6(4) 2_656 . . . ?
Zn1 O13 C18 C13 -173.17(14) 2_656 . . . ?
C14 C13 C18 O13 -146.1(2) . . . . ?
C12 C13 C18 O13 -13.4(3) . . . . ?
C14 C13 C18 O14 37.8(3) . . . . ?
C12 C13 C18 O14 170.5(2) . . . . ?
C25 N21 C21 C22 1.2(3) . . . . ?
Zn1 N21 C21 C22 -178.45(17) . . . . ?
N21 C21 C22 C23 -0.8(4) . . . . ?
C21 C22 C23 C24 0.0(3) . . . . ?
C22 C23 C24 C25 0.5(4) . . . . ?
C21 N21 C25 C24 -0.7(3) . . . . ?
Zn1 N21 C25 C24 178.97(17) . . . . ?
C21 N21 C25 C26 179.16(19) . . . . ?
Zn1 N21 C25 C26 -1.2(2) . . . . ?
C23 C24 C25 N21 -0.1(3) . . . . ?
C23 C24 C25 C26 -179.9(2) . . . . ?
C210 N22 C26 C27 0.7(3) . . . . ?
Zn1 N22 C26 C27 -178.43(16) . . . . ?
C210 N22 C26 C25 -178.3(2) . . . . ?
Zn1 N22 C26 C25 2.6(2) . . . . ?
N21 C25 C26 N22 -1.0(3) . . . . ?
C24 C25 C26 N22 178.9(2) . . . . ?
N21 C25 C26 C27 -179.93(19) . . . . ?
C24 C25 C26 C27 -0.1(3) . . . . ?
N22 C26 C27 C28 0.2(3) . . . . ?
C25 C26 C27 C28 179.1(2) . . . . ?
C26 C27 C28 C29 -1.0(4) . . . . ?
C27 C28 C29 C210 0.9(4) . . . . ?
C26 N22 C210 C29 -0.8(4) . . . . ?
Zn1 N22 C210 C29 178.24(17) . . . . ?
C28 C29 C210 N22 0.0(4) . . . . ?
