#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:34:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179536 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/05/4500576.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_4500576
loop_
_publ_author_name
'Sharma, Manish K.'
'Lama, Prem'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Reversible Single-Crystal to Single-Crystal Exchange of Guests in a
 Seven-Fold Interpenetrated Diamondoid Coordination Polymer
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1411
_journal_paper_doi               10.1021/cg101731j
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C31 H26 N2 O5 Zn'
_chemical_formula_sum            'C31 H26 N2 O5 Zn'
_chemical_formula_weight         571.93
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 102.644(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.187(8)
_cell_length_b                   24.889(18)
_cell_length_c                   8.666(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.7
_cell_volume                     2775(3)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-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  0.0921
_diffrn_reflns_av_sigmaI/netI    0.1301
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7580
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.927
_exptl_absorpt_correction_T_max  0.8811
_exptl_absorpt_correction_T_min  0.8081
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.735
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.172
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.12(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3597
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0684
_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)+(0.1219P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.2231
_reflns_number_gt                2561
_reflns_number_total             3597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101731j_si_002.cif
_cod_data_source_block           Compound2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4500576
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'
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 0.51229(11) 0.41180(4) 1.20155(14) 0.0210(3) Uani 1 1 d .
O1 O 0.4471(7) 0.3801(3) 0.9957(10) 0.027(2) Uani 1 1 d .
O2 O 0.4149(8) 0.3064(3) 1.1256(10) 0.043(2) Uani 1 1 d .
O3 O -0.3968(6) 0.5276(3) 1.6450(11) 0.031(2) Uani 1 1 d .
O4 O -0.3240(7) 0.6083(3) 1.6657(10) 0.032(2) Uani 1 1 d .
O5 O 0.1296(9) 0.3446(4) 0.9596(15) 0.058(3) Uani 1 1 d .
N1 N 0.0568(8) 0.1230(4) -0.0836(11) 0.025(3) Uani 1 1 d .
N2 N 0.3823(8) 0.4506(4) 1.2557(10) 0.019(2) Uani 1 1 d .
C1 C 0.4141(10) 0.3325(5) 0.9985(15) 0.026(3) Uani 1 1 d .
C2 C 0.3646(11) 0.3071(5) 0.8434(15) 0.026(3) Uani 1 1 d .
C3 C 0.3283(10) 0.2553(5) 0.8372(14) 0.031(3) Uani 1 1 d .
H3 H 0.3354 0.2350 0.9317 0.037 Uiso 1 1 calc R
C4 C 0.2811(10) 0.2327(5) 0.6925(15) 0.035(3) Uani 1 1 d .
H4 H 0.2511 0.1979 0.6890 0.042 Uiso 1 1 calc R
C5 C 0.2777(11) 0.2609(5) 0.5525(15) 0.029(3) Uani 1 1 d .
C6 C 0.3160(11) 0.3127(5) 0.5610(16) 0.033(3) Uani 1 1 d .
H6 H 0.3124 0.3329 0.4669 0.039 Uiso 1 1 calc R
C7 C 0.3606(10) 0.3359(5) 0.7102(15) 0.025(3) Uani 1 1 d .
H7 H 0.3875 0.3714 0.7162 0.030 Uiso 1 1 calc R
C8 C 0.2328(11) 0.2396(5) 0.3991(16) 0.034(3) Uani 1 1 d .
H8 H 0.2421 0.2600 0.3106 0.041 Uiso 1 1 calc R
C9 C 0.1786(10) 0.1934(5) 0.3682(14) 0.027(3) Uani 1 1 d .
H9 H 0.1665 0.1739 0.4567 0.032 Uiso 1 1 calc R
C10 C 0.1365(10) 0.1704(5) 0.2119(16) 0.027(3) Uani 1 1 d .
C11 C 0.0971(10) 0.1187(5) 0.2012(13) 0.027(3) Uani 1 1 d .
H11 H 0.0962 0.0983 0.2934 0.033 Uiso 1 1 calc R
C12 C 0.0578(9) 0.0972(4) 0.0473(14) 0.025(3) Uani 1 1 d .
H12 H 0.0306 0.0618 0.0399 0.031 Uiso 1 1 calc R
C13 C 0.0944(11) 0.1744(5) -0.0729(17) 0.032(3) Uani 1 1 d .
H13 H 0.0915 0.1944 -0.1671 0.039 Uiso 1 1 calc R
C14 C 0.1360(11) 0.1977(5) 0.0693(16) 0.035(4) Uani 1 1 d .
H14 H 0.1649 0.2327 0.0722 0.042 Uiso 1 1 calc R
C15 C -0.3246(11) 0.5593(5) 1.6268(18) 0.032(3) Uani 1 1 d .
C16 C -0.2316(10) 0.5386(5) 1.5752(14) 0.027(3) Uani 1 1 d .
C17 C -0.2222(11) 0.4843(5) 1.5397(15) 0.033(3) Uani 1 1 d .
H17 H -0.2751 0.4596 1.5509 0.040 Uiso 1 1 calc R
C18 C -0.1348(10) 0.4662(5) 1.4878(14) 0.030(3) Uani 1 1 d .
H18 H -0.1289 0.4292 1.4638 0.036 Uiso 1 1 calc R
C19 C -0.0571(11) 0.5014(5) 1.4710(13) 0.026(3) Uani 1 1 d .
C20 C -0.0695(10) 0.5554(4) 1.5053(14) 0.029(3) Uani 1 1 d .
H20 H -0.0170 0.5801 1.4929 0.035 Uiso 1 1 calc R
C21 C -0.1529(10) 0.5741(5) 1.5553(15) 0.033(3) Uani 1 1 d .
H21 H -0.1582 0.6113 1.5770 0.039 Uiso 1 1 calc R
C22 C 0.0324(10) 0.4806(5) 1.4146(13) 0.026(3) Uani 1 1 d .
H22 H 0.0327 0.4433 1.3916 0.032 Uiso 1 1 calc R
C23 C 0.1131(11) 0.5093(5) 1.3927(15) 0.030(3) Uani 1 1 d .
H23 H 0.1114 0.5468 1.4125 0.036 Uiso 1 1 calc R
C24 C 0.2054(10) 0.4885(5) 1.3406(13) 0.028(3) Uani 1 1 d .
C25 C 0.2088(10) 0.4359(4) 1.2872(14) 0.027(3) Uani 1 1 d .
H25 H 0.1519 0.4119 1.2806 0.033 Uiso 1 1 calc R
C26 C 0.2994(11) 0.4205(5) 1.2443(14) 0.032(3) Uani 1 1 d .
H26 H 0.3019 0.3853 1.2031 0.038 Uiso 1 1 calc R
C27 C 0.3818(10) 0.5011(4) 1.3099(13) 0.028(3) Uani 1 1 d .
H27 H 0.4415 0.5233 1.3216 0.034 Uiso 1 1 calc R
C28 C 0.2908(10) 0.5197(5) 1.3487(12) 0.024(3) Uani 1 1 d .
H28 H 0.2884 0.5559 1.3822 0.029 Uiso 1 1 calc R
C29 C -0.0363(14) 0.3049(7) 0.869(3) 0.106(9) Uani 1 1 d .
H29A H -0.0589 0.3213 0.9591 0.159 Uiso 1 1 calc R
H29B H -0.0226 0.2666 0.8907 0.159 Uiso 1 1 calc R
H29C H -0.0910 0.3090 0.7735 0.159 Uiso 1 1 calc R
C30 C 0.0610(13) 0.3319(6) 0.847(3) 0.063(5) Uani 1 1 d .
C31 C 0.0758(19) 0.3437(10) 0.686(2) 0.101(8) Uani 1 1 d .
H31A H 0.0313 0.3739 0.6417 0.152 Uiso 1 1 calc R
H31B H 0.0572 0.3120 0.6191 0.152 Uiso 1 1 calc R
H31C H 0.1487 0.3530 0.6916 0.152 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
O1 Zn1 N1 130.2(3) . 4_556
O1 Zn1 O3 103.9(4) . 2_664
N1 Zn1 O3 117.9(4) 4_556 2_664
O1 Zn1 N2 99.8(4) . .
N1 Zn1 N2 94.4(4) 4_556 .
O3 Zn1 N2 105.2(4) 2_664 .
O1 Zn1 O4 91.6(3) . 2_664
N1 Zn1 O4 86.5(4) 4_556 2_664
O3 Zn1 O4 60.8(3) 2_664 2_664
N2 Zn1 O4 164.1(3) . 2_664
O1 Zn1 C15 96.4(4) . 2_664
N1 Zn1 C15 105.7(5) 4_556 2_664
O3 Zn1 C15 30.7(3) 2_664 2_664
N2 Zn1 C15 135.9(4) . 2_664
O4 Zn1 C15 30.3(3) 2_664 2_664
C1 O1 Zn1 116.3(8) . .
C15 O3 Zn1 93.8(7) . 2_465
C15 O4 Zn1 82.8(7) . 2_465
C12 N1 C13 117.8(11) . .
C12 N1 Zn1 122.6(8) . 4_453
C13 N1 Zn1 119.4(9) . 4_453
C26 N2 C27 119.6(11) . .
C26 N2 Zn1 115.2(8) . .
C27 N2 Zn1 125.0(9) . .
O1 C1 O2 123.7(12) . .
O1 C1 C2 117.5(11) . .
O2 C1 C2 118.6(11) . .
C7 C2 C3 121.2(12) . .
C7 C2 C1 118.0(12) . .
C3 C2 C1 120.7(11) . .
C2 C3 C4 120.0(11) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 C5 120.1(11) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 118.9(12) . .
C6 C5 C8 117.8(11) . .
C4 C5 C8 123.2(11) . .
C5 C6 C7 120.1(12) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C2 C7 C6 119.6(12) . .
C2 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
C9 C8 C5 126.4(12) . .
C9 C8 H8 116.8 . .
C5 C8 H8 116.8 . .
C8 C9 C10 126.5(11) . .
C8 C9 H9 116.7 . .
C10 C9 H9 116.7 . .
C11 C10 C14 117.4(12) . .
C11 C10 C9 119.2(11) . .
C14 C10 C9 123.4(11) . .
C10 C11 C12 117.8(11) . .
C10 C11 H11 121.1 . .
C12 C11 H11 121.1 . .
N1 C12 C11 124.3(10) . .
N1 C12 H12 117.8 . .
C11 C12 H12 117.8 . .
C14 C13 N1 121.8(12) . .
C14 C13 H13 119.1 . .
N1 C13 H13 119.1 . .
C13 C14 C10 120.7(12) . .
C13 C14 H14 119.6 . .
C10 C14 H14 119.6 . .
O4 C15 O3 121.7(11) . .
O4 C15 C16 117.2(11) . .
O3 C15 C16 120.8(11) . .
O4 C15 Zn1 66.8(6) . 2_465
O3 C15 Zn1 55.5(6) . 2_465
C16 C15 Zn1 175.6(10) . 2_465
C17 C16 C21 118.6(11) . .
C17 C16 C15 121.4(11) . .
C21 C16 C15 120.0(11) . .
C16 C17 C18 120.0(12) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C18 C17 120.8(11) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C18 C19 C20 117.7(11) . .
C18 C19 C22 118.7(11) . .
C20 C19 C22 123.6(12) . .
C21 C20 C19 123.0(11) . .
C21 C20 H20 118.5 . .
C19 C20 H20 118.5 . .
C20 C21 C16 119.8(11) . .
C20 C21 H21 120.1 . .
C16 C21 H21 120.1 . .
C23 C22 C19 125.8(12) . .
C23 C22 H22 117.1 . .
C19 C22 H22 117.1 . .
C22 C23 C24 126.3(11) . .
C22 C23 H23 116.9 . .
C24 C23 H23 116.9 . .
C28 C24 C25 117.9(11) . .
C28 C24 C23 120.8(11) . .
C25 C24 C23 121.3(12) . .
C26 C25 C24 116.3(12) . .
C26 C25 H25 121.9 . .
C24 C25 H25 121.9 . .
N2 C26 C25 125.3(12) . .
N2 C26 H26 117.4 . .
C25 C26 H26 117.4 . .
N2 C27 C28 117.8(11) . .
N2 C27 H27 121.1 . .
C28 C27 H27 121.1 . .
C24 C28 C27 123.0(11) . .
C24 C28 H28 118.5 . .
C27 C28 H28 118.5 . .
C30 C29 H29A 109.5 . .
C30 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C30 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O5 C30 C31 118.4(17) . .
O5 C30 C29 121.2(19) . .
C31 C30 C29 120(2) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.967(8) .
Zn1 N1 2.020(10) 4_556
Zn1 O3 2.052(8) 2_664
Zn1 N2 2.109(10) .
Zn1 O4 2.302(8) 2_664
Zn1 C15 2.485(13) 2_664
O1 C1 1.265(15) .
O2 C1 1.277(15) .
O3 C15 1.271(14) .
O3 Zn1 2.052(8) 2_465
O4 C15 1.265(14) .
O4 Zn1 2.302(8) 2_465
O5 C30 1.22(2) .
N1 C12 1.301(14) .
N1 C13 1.368(16) .
N1 Zn1 2.020(10) 4_453
N2 C26 1.310(16) .
N2 C27 1.340(14) .
C1 C2 1.499(17) .
C2 C7 1.350(17) .
C2 C3 1.370(17) .
C3 C4 1.392(17) .
C3 H3 0.9500 .
C4 C5 1.394(16) .
C4 H4 0.9500 .
C5 C6 1.380(17) .
C5 C8 1.433(16) .
C6 C7 1.420(18) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.349(18) .
C8 H8 0.9500 .
C9 C10 1.463(18) .
C9 H9 0.9500 .
C10 C11 1.382(17) .
C10 C14 1.409(18) .
C11 C12 1.425(15) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.364(18) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.486(16) .
C15 Zn1 2.485(13) 2_465
C16 C17 1.397(17) .
C16 C21 1.404(16) .
C17 C18 1.400(16) .
C17 H17 0.9500 .
C18 C19 1.380(17) .
C18 H18 0.9500 .
C19 C20 1.393(15) .
C19 C22 1.467(17) .
C20 C21 1.350(16) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.329(17) .
C22 H22 0.9500 .
C23 C24 1.481(17) .
C23 H23 0.9500 .
C24 C28 1.358(16) .
C24 C25 1.392(16) .
C25 C26 1.381(17) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.395(16) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.50(2) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.48(3) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
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
N1 Zn1 O1 C1 11.2(11) 4_556
O3 Zn1 O1 C1 158.2(8) 2_664
N2 Zn1 O1 C1 -93.2(9) .
O4 Zn1 O1 C1 97.9(9) 2_664
C15 Zn1 O1 C1 128.0(9) 2_664
O1 Zn1 N2 C26 50.9(9) .
N1 Zn1 N2 C26 -81.1(9) 4_556
O3 Zn1 N2 C26 158.4(8) 2_664
O4 Zn1 N2 C26 -174.1(10) 2_664
C15 Zn1 N2 C26 160.8(8) 2_664
O1 Zn1 N2 C27 -134.0(9) .
N1 Zn1 N2 C27 94.0(9) 4_556
O3 Zn1 N2 C27 -26.5(10) 2_664
O4 Zn1 N2 C27 1.0(18) 2_664
C15 Zn1 N2 C27 -24.1(13) 2_664
Zn1 O1 C1 O2 4.8(16) .
Zn1 O1 C1 C2 -179.7(8) .
O1 C1 C2 C7 1.7(17) .
O2 C1 C2 C7 177.5(12) .
O1 C1 C2 C3 179.1(12) .
O2 C1 C2 C3 -5.1(18) .
C7 C2 C3 C4 -3.7(19) .
C1 C2 C3 C4 179.0(11) .
C2 C3 C4 C5 5.0(19) .
C3 C4 C5 C6 -4.0(19) .
C3 C4 C5 C8 178.4(12) .
C4 C5 C6 C7 1.8(19) .
C8 C5 C6 C7 179.6(11) .
C3 C2 C7 C6 1.5(19) .
C1 C2 C7 C6 178.9(11) .
C5 C6 C7 C2 -0.6(19) .
C6 C5 C8 C9 -169.8(13) .
C4 C5 C8 C9 8(2) .
C5 C8 C9 C10 -177.2(12) .
C8 C9 C10 C11 169.9(13) .
C8 C9 C10 C14 -9(2) .
C14 C10 C11 C12 -0.8(18) .
C9 C10 C11 C12 -179.3(11) .
C13 N1 C12 C11 -1.1(18) .
Zn1 N1 C12 C11 174.3(9) 4_453
C10 C11 C12 N1 0.1(18) .
C12 N1 C13 C14 3(2) .
Zn1 N1 C13 C14 -172.8(10) 4_453
N1 C13 C14 C10 -3(2) .
C11 C10 C14 C13 2(2) .
C9 C10 C14 C13 -179.2(12) .
Zn1 O4 C15 O3 -8.4(14) 2_465
Zn1 O4 C15 C16 178.1(12) 2_465
Zn1 O3 C15 O4 9.4(15) 2_465
Zn1 O3 C15 C16 -177.3(12) 2_465
O4 C15 C16 C17 175.8(13) .
O3 C15 C16 C17 2(2) .
Zn1 C15 C16 C17 -28(13) 2_465
O4 C15 C16 C21 -7(2) .
O3 C15 C16 C21 179.8(13) .
Zn1 C15 C16 C21 150(12) 2_465
C21 C16 C17 C18 0.9(19) .
C15 C16 C17 C18 178.5(13) .
C16 C17 C18 C19 0(2) .
C17 C18 C19 C20 -0.9(19) .
C17 C18 C19 C22 -179.4(12) .
C18 C19 C20 C21 0.8(19) .
C22 C19 C20 C21 179.2(12) .
C19 C20 C21 C16 0(2) .
C17 C16 C21 C20 -1(2) .
C15 C16 C21 C20 -178.6(12) .
C18 C19 C22 C23 -179.9(12) .
C20 C19 C22 C23 2(2) .
C19 C22 C23 C24 178.0(11) .
C22 C23 C24 C28 -168.5(12) .
C22 C23 C24 C25 9(2) .
C28 C24 C25 C26 -1.1(17) .
C23 C24 C25 C26 -178.9(11) .
C27 N2 C26 C25 -1.4(19) .
Zn1 N2 C26 C25 174.0(10) .
C24 C25 C26 N2 2.7(19) .
C26 N2 C27 C28 -1.5(16) .
Zn1 N2 C27 C28 -176.4(8) .
C25 C24 C28 C27 -1.7(17) .
C23 C24 C28 C27 176.1(11) .
N2 C27 C28 C24 3.1(17) .
