#------------------------------------------------------------------------------
#$Date: 2025-08-22 17:55:42 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/88/7218833.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_7218833
loop_
_publ_author_name
'Garai, Antara'
'Kumar, Mohit'
'Sinha, Woormileela'
'Chatterjee, Sriparna'
'Purohit, Chandra Shekhar'
'Som, Tapobrata'
'Kar, Sanjib'
_publ_section_title
;
 Synthesis, electron transports, and charge storage properties of
 fullerene─zinc porphyrin hybrid nanodiscs
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA12774A
_journal_year                    2014
_chemical_formula_moiety         'C32 H21 N2 Zn0'
_chemical_formula_sum            'C34 H22 N2 Zn0.5'
_chemical_formula_weight         491.22
_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           SHELXL-97
_cell_angle_alpha                90.808(5)
_cell_angle_beta                 91.990(5)
_cell_angle_gamma                93.628(5)
_cell_formula_units_Z            2
_cell_length_a                   8.393(5)
_cell_length_b                   11.628(5)
_cell_length_c                   14.178(5)
_cell_measurement_reflns_used    2895
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.98
_cell_measurement_theta_min      2.29
_cell_volume                     1379.9(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10633
_diffrn_reflns_theta_full        24.19
_diffrn_reflns_theta_max         24.19
_diffrn_reflns_theta_min         2.43
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.489
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.6244
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             510
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.957
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       0.0049(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4305
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0967
_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)+(0.0671P)²+4.6853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2319
_refine_ls_wR_factor_ref         0.2467
_reflns_number_gt                2875
_reflns_number_total             4305
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4ra12774a2.cif
_cod_data_source_block           s_kar_ic_2716_0m
_cod_original_formula_sum        'C34 H22 N2 Zn0.50'
_cod_database_code               7218833
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
C1 C 0.1560(8) 0.8350(6) 0.3667(4) 0.0557(17) Uani 1 1 d .
C2 C 0.2328(9) 0.7279(6) 0.3657(5) 0.074(2) Uani 1 1 d .
H2 H 0.2784 0.6943 0.3141 0.088 Uiso 1 1 calc R
C3 C 0.2264(10) 0.6854(7) 0.4529(5) 0.082(3) Uani 1 1 d .
H3 H 0.2645 0.6159 0.4725 0.098 Uiso 1 1 calc R
C4 C 0.1507(9) 0.7660(6) 0.5106(4) 0.0620(19) Uani 1 1 d .
C5 C 0.1231(8) 0.7548(6) 0.6069(4) 0.0601(18) Uani 1 1 d .
C6 C 0.0530(7) 0.8347(5) 0.6634(4) 0.0489(15) Uani 1 1 d .
C7 C 0.0278(8) 0.8245(6) 0.7628(4) 0.0611(18) Uani 1 1 d .
H7 H 0.0562 0.7638 0.8006 0.073 Uiso 1 1 calc R
C8 C -0.0433(7) 0.9173(5) 0.7912(4) 0.0530(16) Uani 1 1 d .
H8 H -0.0743 0.9326 0.8522 0.064 Uiso 1 1 calc R
C9 C -0.0637(7) 0.9894(5) 0.7111(4) 0.0498(15) Uani 1 1 d .
C10 C 0.1341(8) 0.9048(6) 0.2882(4) 0.0552(17) Uani 1 1 d .
C11 C 0.1944(9) 0.8642(6) 0.1947(4) 0.0612(18) Uani 1 1 d .
C12 C 0.0951(9) 0.8031(6) 0.1284(4) 0.0611(18) Uani 1 1 d .
H12 H -0.0105 0.7848 0.1432 0.073 Uiso 1 1 calc R
C13 C 0.1471(10) 0.7677(7) 0.0401(5) 0.074(2) Uani 1 1 d .
H13 H 0.0763 0.7287 -0.0029 0.089 Uiso 1 1 calc R
C14 C 0.3046(9) 0.7916(6) 0.0179(5) 0.0644(19) Uani 1 1 d .
C15 C 0.3979(11) 0.7650(7) -0.0658(5) 0.084(2) Uani 1 1 d .
H15A H 0.3524 0.7985 -0.1221 0.101 Uiso 1 1 calc R
H15B H 0.3998 0.6824 -0.0756 0.101 Uiso 1 1 calc R
C16 C 0.5690(10) 0.8199(7) -0.0423(5) 0.079(2) Uani 1 1 d .
H16A H 0.6471 0.7619 -0.0431 0.095 Uiso 1 1 calc R
H16B H 0.5982 0.8790 -0.0872 0.095 Uiso 1 1 calc R
C17 C 0.5591(10) 0.8709(6) 0.0549(5) 0.066(2) Uani 1 1 d .
C18 C 0.6650(11) 0.9277(7) 0.1117(6) 0.081(2) Uani 1 1 d .
H18 H 0.7685 0.9434 0.0920 0.098 Uiso 1 1 calc R
C19 C 0.6233(9) 0.9647(6) 0.2017(6) 0.072(2) Uani 1 1 d .
H19 H 0.7014 1.0029 0.2408 0.087 Uiso 1 1 calc R
C20 C 0.4750(8) 0.9471(6) 0.2335(5) 0.0600(18) Uani 1 1 d .
H20 H 0.4512 0.9726 0.2935 0.072 Uiso 1 1 calc R
C21 C 0.3545(8) 0.8888(5) 0.1738(4) 0.0521(16) Uani 1 1 d .
C22 C 0.4015(8) 0.8510(5) 0.0848(4) 0.0509(16) Uani 1 1 d .
C23 C 0.1789(10) 0.6483(7) 0.6558(5) 0.072(2) Uani 1 1 d .
C24 C 0.0770(10) 0.5572(7) 0.6774(6) 0.088(3) Uani 1 1 d .
H24 H -0.0289 0.5578 0.6560 0.106 Uiso 1 1 calc R
C25 C 0.1229(12) 0.4620(8) 0.7303(7) 0.105(3) Uani 1 1 d .
H25 H 0.0492 0.4018 0.7437 0.126 Uiso 1 1 calc R
C26 C 0.2821(13) 0.4609(8) 0.7620(6) 0.095(3) Uani 1 1 d .
C27 C 0.3727(13) 0.3783(9) 0.8195(7) 0.116(3) Uani 1 1 d .
H27A H 0.3772 0.3056 0.7856 0.139 Uiso 1 1 calc R
H27B H 0.3214 0.3638 0.8788 0.139 Uiso 1 1 calc R
C28 C 0.5391(13) 0.4340(9) 0.8371(7) 0.116(3) Uani 1 1 d .
H28A H 0.5593 0.4540 0.9033 0.139 Uiso 1 1 calc R
H28B H 0.6201 0.3844 0.8163 0.139 Uiso 1 1 calc R
C29 C 0.5325(12) 0.5398(9) 0.7776(6) 0.087(3) Uani 1 1 d .
C30 C 0.6418(14) 0.6198(11) 0.7597(7) 0.113(4) Uani 1 1 d .
H30 H 0.7452 0.6126 0.7836 0.136 Uiso 1 1 calc R
C31 C 0.6108(9) 0.7156(8) 0.7066(6) 0.086(2) Uani 1 1 d .
H31 H 0.6948 0.7693 0.6956 0.103 Uiso 1 1 calc R
C32 C 0.4631(8) 0.7348(6) 0.6696(5) 0.0634(18) Uani 1 1 d .
H32 H 0.4440 0.8007 0.6357 0.076 Uiso 1 1 calc R
C33 C 0.3371(9) 0.6468(6) 0.6860(5) 0.065(2) Uani 1 1 d .
C34 C 0.3831(9) 0.5527(6) 0.7403(4) 0.0624(19) Uani 1 1 d .
N1 N 0.1083(7) 0.8579(4) 0.4553(3) 0.0579(15) Uani 1 1 d .
N2 N -0.0048(6) 0.9375(4) 0.6333(3) 0.0516(13) Uani 1 1 d .
Zn1 Zn 0.0000 1.0000 0.5000 0.1002(7) Uani 1 2 d S
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'
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 C10 125.5(6) . .
N1 C1 C2 109.6(5) . .
C10 C1 C2 125.0(6) . .
C3 C2 C1 107.3(6) . .
C3 C2 H2 126.3 . .
C1 C2 H2 126.3 . .
C2 C3 C4 107.7(6) . .
C2 C3 H3 126.1 . .
C4 C3 H3 126.1 . .
N1 C4 C5 125.3(6) . .
N1 C4 C3 108.9(5) . .
C5 C4 C3 125.8(6) . .
C6 C5 C4 125.7(6) . .
C6 C5 C23 116.4(5) . .
C4 C5 C23 117.8(6) . .
N2 C6 C5 125.7(5) . .
N2 C6 C7 108.5(5) . .
C5 C6 C7 125.8(5) . .
C8 C7 C6 107.9(5) . .
C8 C7 H7 126.0 . .
C6 C7 H7 126.0 . .
C7 C8 C9 107.8(5) . .
C7 C8 H8 126.1 . .
C9 C8 H8 126.1 . .
N2 C9 C10 125.4(5) . 2_576
N2 C9 C8 109.2(5) . .
C10 C9 C8 125.4(5) 2_576 .
C9 C10 C1 125.4(5) 2_576 .
C9 C10 C11 116.8(5) 2_576 .
C1 C10 C11 117.8(5) . .
C12 C11 C21 118.6(6) . .
C12 C11 C10 122.0(6) . .
C21 C11 C10 119.4(6) . .
C11 C12 C13 123.0(7) . .
C11 C12 H12 118.5 . .
C13 C12 H12 118.5 . .
C14 C13 C12 119.2(7) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
C22 C14 C13 116.9(6) . .
C22 C14 C15 109.9(7) . .
C13 C14 C15 133.1(8) . .
C14 C15 C16 104.8(6) . .
C14 C15 H15A 110.8 . .
C16 C15 H15A 110.8 . .
C14 C15 H15B 110.8 . .
C16 C15 H15B 110.8 . .
H15A C15 H15B 108.9 . .
C17 C16 C15 104.5(6) . .
C17 C16 H16A 110.9 . .
C15 C16 H16A 110.9 . .
C17 C16 H16B 110.9 . .
C15 C16 H16B 110.9 . .
H16A C16 H16B 108.9 . .
C18 C17 C22 118.9(7) . .
C18 C17 C16 132.6(8) . .
C22 C17 C16 108.5(7) . .
C17 C18 C19 120.7(8) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 122.5(8) . .
C20 C19 H19 118.7 . .
C18 C19 H19 118.7 . .
C19 C20 C21 119.1(7) . .
C19 C20 H20 120.5 . .
C21 C20 H20 120.5 . .
C11 C21 C22 116.4(6) . .
C11 C21 C20 126.8(6) . .
C22 C21 C20 116.8(6) . .
C14 C22 C21 125.8(6) . .
C14 C22 C17 112.2(6) . .
C21 C22 C17 122.0(7) . .
C24 C23 C33 118.2(7) . .
C24 C23 C5 122.7(7) . .
C33 C23 C5 118.9(7) . .
C23 C24 C25 123.9(8) . .
C23 C24 H24 118.0 . .
C25 C24 H24 118.0 . .
C26 C25 C24 118.0(8) . .
C26 C25 H25 121.0 . .
C24 C25 H25 121.0 . .
C34 C26 C25 117.7(7) . .
C34 C26 C27 109.0(9) . .
C25 C26 C27 133.3(10) . .
C26 C27 C28 106.6(9) . .
C26 C27 H27A 110.4 . .
C28 C27 H27A 110.4 . .
C26 C27 H27B 110.4 . .
C28 C27 H27B 110.4 . .
H27A C27 H27B 108.6 . .
C29 C28 C27 101.3(8) . .
C29 C28 H28A 111.5 . .
C27 C28 H28A 111.5 . .
C29 C28 H28B 111.5 . .
C27 C28 H28B 111.5 . .
H28A C28 H28B 109.3 . .
C30 C29 C34 116.8(9) . .
C30 C29 C28 131.0(10) . .
C34 C29 C28 112.1(9) . .
C29 C30 C31 122.8(10) . .
C29 C30 H30 118.6 . .
C31 C30 H30 118.6 . .
C32 C31 C30 123.0(9) . .
C32 C31 H31 118.5 . .
C30 C31 H31 118.5 . .
C31 C32 C33 116.4(7) . .
C31 C32 H32 121.8 . .
C33 C32 H32 121.8 . .
C23 C33 C34 118.1(8) . .
C23 C33 C32 126.4(7) . .
C34 C33 C32 115.5(7) . .
C29 C34 C26 110.5(8) . .
C29 C34 C33 125.4(8) . .
C26 C34 C33 124.0(8) . .
C1 N1 C4 106.5(5) . .
C1 N1 Zn1 127.1(4) . .
C4 N1 Zn1 126.4(4) . .
C9 N2 C6 106.6(5) . .
C9 N2 Zn1 126.8(4) . .
C6 N2 Zn1 126.6(4) . .
N2 Zn1 N2 180.000(2) 2_576 .
N2 Zn1 N1 89.76(18) 2_576 .
N2 Zn1 N1 90.24(18) . .
N2 Zn1 N1 90.24(18) 2_576 2_576
N2 Zn1 N1 89.76(18) . 2_576
N1 Zn1 N1 180.000(2) . 2_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.360(7) .
C1 C10 1.401(8) .
C1 C2 1.439(9) .
C2 C3 1.340(9) .
C2 H2 0.9300 .
C3 C4 1.428(9) .
C3 H3 0.9300 .
C4 N1 1.391(7) .
C4 C5 1.400(8) .
C5 C6 1.390(8) .
C5 C23 1.519(9) .
C6 N2 1.385(7) .
C6 C7 1.438(8) .
C7 C8 1.329(8) .
C7 H7 0.9300 .
C8 C9 1.433(8) .
C8 H8 0.9300 .
C9 N2 1.372(7) .
C9 C10 1.399(8) 2_576
C10 C9 1.399(8) 2_576
C10 C11 1.514(8) .
C11 C12 1.391(9) .
C11 C21 1.399(9) .
C12 C13 1.404(9) .
C12 H12 0.9300 .
C13 C14 1.381(10) .
C13 H13 0.9300 .
C14 C22 1.376(9) .
C14 C15 1.484(10) .
C15 C16 1.557(11) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.500(10) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.317(11) .
C17 C22 1.410(10) .
C18 C19 1.404(11) .
C18 H18 0.9300 .
C19 C20 1.343(9) .
C19 H19 0.9300 .
C20 C21 1.427(9) .
C20 H20 0.9300 .
C21 C22 1.407(8) .
C23 C24 1.363(10) .
C23 C33 1.383(10) .
C24 C25 1.412(11) .
C24 H24 0.9300 .
C25 C26 1.396(12) .
C25 H25 0.9300 .
C26 C34 1.365(11) .
C26 C27 1.496(11) .
C27 C28 1.513(14) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.504(12) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.299(13) .
C29 C34 1.362(11) .
C30 C31 1.387(13) .
C30 H30 0.9300 .
C31 C32 1.362(10) .
C31 H31 0.9300 .
C32 C33 1.452(10) .
C32 H32 0.9300 .
C33 C34 1.412(9) .
N1 Zn1 2.039(5) .
N2 Zn1 2.035(4) .
Zn1 N2 2.035(4) 2_576
Zn1 N1 2.039(5) 2_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
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 1.8(9) . .
C10 C1 C2 C3 -178.2(7) . .
C1 C2 C3 C4 -1.8(10) . .
C2 C3 C4 N1 1.1(10) . .
C2 C3 C4 C5 -178.9(8) . .
N1 C4 C5 C6 -1.8(13) . .
C3 C4 C5 C6 178.3(8) . .
N1 C4 C5 C23 -179.7(7) . .
C3 C4 C5 C23 0.4(12) . .
C4 C5 C6 N2 1.7(12) . .
C23 C5 C6 N2 179.6(6) . .
C4 C5 C6 C7 -178.6(7) . .
C23 C5 C6 C7 -0.6(11) . .
N2 C6 C7 C8 0.3(8) . .
C5 C6 C7 C8 -179.5(7) . .
C6 C7 C8 C9 -0.6(8) . .
C7 C8 C9 N2 0.6(8) . .
C7 C8 C9 C10 179.9(7) . 2_576
N1 C1 C10 C9 1.8(12) . 2_576
C2 C1 C10 C9 -178.1(7) . 2_576
N1 C1 C10 C11 -179.5(7) . .
C2 C1 C10 C11 0.6(11) . .
C9 C10 C11 C12 -85.8(8) 2_576 .
C1 C10 C11 C12 95.4(8) . .
C9 C10 C11 C21 94.1(7) 2_576 .
C1 C10 C11 C21 -84.7(8) . .
C21 C11 C12 C13 -1.9(10) . .
C10 C11 C12 C13 178.0(6) . .
C11 C12 C13 C14 1.6(11) . .
C12 C13 C14 C22 -0.8(10) . .
C12 C13 C14 C15 178.3(7) . .
C22 C14 C15 C16 -1.4(8) . .
C13 C14 C15 C16 179.5(7) . .
C14 C15 C16 C17 1.4(7) . .
C15 C16 C17 C18 179.7(8) . .
C15 C16 C17 C22 -1.0(7) . .
C22 C17 C18 C19 2.0(11) . .
C16 C17 C18 C19 -178.8(7) . .
C17 C18 C19 C20 -1.6(12) . .
C18 C19 C20 C21 -0.1(11) . .
C12 C11 C21 C22 1.3(9) . .
C10 C11 C21 C22 -178.5(5) . .
C12 C11 C21 C20 -178.0(6) . .
C10 C11 C21 C20 2.1(10) . .
C19 C20 C21 C11 -179.3(6) . .
C19 C20 C21 C22 1.4(9) . .
C13 C14 C22 C21 0.4(10) . .
C15 C14 C22 C21 -179.0(6) . .
C13 C14 C22 C17 -179.9(6) . .
C15 C14 C22 C17 0.8(8) . .
C11 C21 C22 C14 -0.6(9) . .
C20 C21 C22 C14 178.8(6) . .
C11 C21 C22 C17 179.6(6) . .
C20 C21 C22 C17 -1.0(9) . .
C18 C17 C22 C14 179.5(6) . .
C16 C17 C22 C14 0.2(8) . .
C18 C17 C22 C21 -0.7(10) . .
C16 C17 C22 C21 179.9(6) . .
C6 C5 C23 C24 79.1(10) . .
C4 C5 C23 C24 -102.8(9) . .
C6 C5 C23 C33 -95.8(8) . .
C4 C5 C23 C33 82.2(9) . .
C33 C23 C24 C25 1.1(13) . .
C5 C23 C24 C25 -173.9(8) . .
C23 C24 C25 C26 -0.3(15) . .
C24 C25 C26 C34 0.5(14) . .
C24 C25 C26 C27 178.9(10) . .
C34 C26 C27 C28 4.1(11) . .
C25 C26 C27 C28 -174.4(11) . .
C26 C27 C28 C29 -6.0(10) . .
C27 C28 C29 C30 -176.3(10) . .
C27 C28 C29 C34 6.4(10) . .
C34 C29 C30 C31 0.9(14) . .
C28 C29 C30 C31 -176.3(9) . .
C29 C30 C31 C32 0.9(15) . .
C30 C31 C32 C33 -1.9(12) . .
C24 C23 C33 C34 -2.0(10) . .
C5 C23 C33 C34 173.2(6) . .
C24 C23 C33 C32 179.6(7) . .
C5 C23 C33 C32 -5.2(10) . .
C31 C32 C33 C23 179.7(7) . .
C31 C32 C33 C34 1.2(10) . .
C30 C29 C34 C26 178.0(8) . .
C28 C29 C34 C26 -4.3(10) . .
C30 C29 C34 C33 -1.6(13) . .
C28 C29 C34 C33 176.1(7) . .
C25 C26 C34 C29 178.8(8) . .
C27 C26 C34 C29 0.0(10) . .
C25 C26 C34 C33 -1.6(13) . .
C27 C26 C34 C33 179.6(7) . .
C23 C33 C34 C29 -178.0(7) . .
C32 C33 C34 C29 0.6(10) . .
C23 C33 C34 C26 2.3(11) . .
C32 C33 C34 C26 -179.1(7) . .
C10 C1 N1 C4 178.9(7) . .
C2 C1 N1 C4 -1.1(8) . .
C10 C1 N1 Zn1 -2.2(10) . .
C2 C1 N1 Zn1 177.8(5) . .
C5 C4 N1 C1 -179.9(7) . .
C3 C4 N1 C1 0.0(8) . .
C5 C4 N1 Zn1 1.2(11) . .
C3 C4 N1 Zn1 -178.9(5) . .
C10 C9 N2 C6 -179.7(6) 2_576 .
C8 C9 N2 C6 -0.4(7) . .
C10 C9 N2 Zn1 1.1(10) 2_576 .
C8 C9 N2 Zn1 -179.6(4) . .
C5 C6 N2 C9 179.8(7) . .
C7 C6 N2 C9 0.1(7) . .
C5 C6 N2 Zn1 -1.0(10) . .
C7 C6 N2 Zn1 179.2(4) . .
C9 N2 Zn1 N2 -1(100) . 2_576
C6 N2 Zn1 N2 180(100) . 2_576
C9 N2 Zn1 N1 179.4(5) . .
C6 N2 Zn1 N1 0.3(5) . .
C9 N2 Zn1 N1 -0.6(5) . 2_576
C6 N2 Zn1 N1 -179.7(5) . 2_576
C1 N1 Zn1 N2 0.9(6) . 2_576
C4 N1 Zn1 N2 179.6(6) . 2_576
C1 N1 Zn1 N2 -179.1(6) . .
C4 N1 Zn1 N2 -0.4(6) . .
C1 N1 Zn1 N1 141(100) . 2_576
C4 N1 Zn1 N1 -40(100) . 2_576
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139199514
