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#$Date: 2020-04-17 02:43:47 +0300 (Fri, 17 Apr 2020) $
#$Revision: 250872 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/03/7240326.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_7240326
loop_
_publ_author_name
'Mondal, Ipsita'
'Basak, Tanmoy'
'Banerjee, Snehasis'
'Chattopadhyay, Shouvik'
_publ_section_title
;
 A theoretical insight on the rigid hydrogen-bonded network in the solid
 state structure of two zinc(ii) complexes and their strong fluorescence
 behaviors
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00125B
_journal_year                    2020
_chemical_formula_moiety         'C21 H29 N5 O4 Zn'
_chemical_formula_sum            'C21 H29 N5 O4 Zn'
_chemical_formula_weight         480.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-12-04 deposited with the CCDC.	2020-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.332(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3910(8)
_cell_length_b                   18.0035(13)
_cell_length_c                   11.8490(10)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.379
_cell_measurement_theta_min      2.01
_cell_volume                     2306.6(3)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER SMART APEX II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0199
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            34581
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.379
_diffrn_reflns_theta_min         2.163
_exptl_absorpt_coefficient_mu    1.101
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.3662
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         4717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0667P)²+0.5626P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1200
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3947
_reflns_number_total             4717
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00125b2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7240326
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.61828(2) 0.40503(2) 0.37837(2) 0.04095(12) Uani 1 1 d . . . . .
O4 O 0.9323(2) 0.53801(14) 0.3378(2) 0.0658(6) Uani 1 1 d . . . . .
O3 O 0.5085(2) 0.38629(13) 0.52201(19) 0.0590(5) Uani 1 1 d . . . . .
O1 O 0.64402(16) 0.50353(10) 0.46214(16) 0.0510(4) Uani 1 1 d . . . . .
O2 O 0.82461(17) 0.45128(10) 0.54657(17) 0.0558(5) Uani 1 1 d . . . . .
N2 N 0.7358(2) 0.42638(12) 0.27472(19) 0.0426(5) Uani 1 1 d . . . . .
N1 N 0.69666(19) 0.30332(10) 0.43517(18) 0.0384(4) Uani 1 1 d . . . . .
N3 N 0.4565(2) 0.39655(14) 0.2515(2) 0.0594(6) Uani 1 1 d . . . . .
N5 N 0.4189(3) 0.3186(2) 0.0867(3) 0.1090(14) Uani 1 1 d . . . . .
C13 C 0.6984(2) 0.49585(14) 0.2032(3) 0.0503(6) Uani 1 1 d . . . . .
H13A H 0.620925 0.486593 0.140938 0.060 Uiso 1 1 calc R U . . .
H13B H 0.683275 0.534231 0.254407 0.060 Uiso 1 1 calc R U . . .
C14 C 0.7894(2) 0.52451(14) 0.1475(2) 0.0477(6) Uani 1 1 d . . . . .
C15 C 0.7606(3) 0.53174(15) 0.0256(3) 0.0598(7) Uani 1 1 d . . . . .
H15 H 0.682169 0.518064 -0.022871 0.072 Uiso 1 1 calc R U . . .
C16 C 0.8442(4) 0.55848(18) -0.0258(3) 0.0715(9) Uani 1 1 d . . . . .
H16 H 0.822649 0.563113 -0.107997 0.086 Uiso 1 1 calc R U . . .
C17 C 0.9606(4) 0.57843(18) 0.0455(4) 0.0724(10) Uani 1 1 d . . . . .
H17 H 1.018187 0.595874 0.010914 0.087 Uiso 1 1 calc R U . . .
C18 C 0.9930(3) 0.57285(17) 0.1679(3) 0.0623(8) Uani 1 1 d . . . . .
H18 H 1.071394 0.587138 0.215541 0.075 Uiso 1 1 calc R U . . .
C19 C 0.9075(3) 0.54576(15) 0.2187(2) 0.0511(6) Uani 1 1 d . . . . .
C12 C 0.7492(3) 0.36257(14) 0.2005(2) 0.0481(6) Uani 1 1 d . . . . .
H12A H 0.806065 0.376409 0.157907 0.058 Uiso 1 1 calc R U . . .
H12B H 0.669575 0.352648 0.141835 0.058 Uiso 1 1 calc R U . . .
C9 C 0.7961(2) 0.29091(14) 0.2702(2) 0.0469(6) Uani 1 1 d . . . . .
C8 C 0.7087(2) 0.25929(13) 0.3336(2) 0.0448(6) Uani 1 1 d . . . . .
H8A H 0.627154 0.254148 0.275613 0.054 Uiso 1 1 calc R U . . .
H8B H 0.737065 0.209890 0.362015 0.054 Uiso 1 1 calc R U . . .
C7 C 0.6312(3) 0.25882(14) 0.5031(2) 0.0484(6) Uani 1 1 d . . . . .
H7A H 0.665262 0.208980 0.514901 0.058 Uiso 1 1 calc R U . . .
H7B H 0.544340 0.255103 0.457220 0.058 Uiso 1 1 calc R U . . .
C6 C 0.6434(2) 0.29316(14) 0.6217(2) 0.0464(6) Uani 1 1 d . . . . .
C1 C 0.5813(2) 0.35850(14) 0.6286(2) 0.0458(6) Uani 1 1 d . . . . .
C2 C 0.5948(3) 0.39249(17) 0.7361(3) 0.0582(7) Uani 1 1 d . . . . .
H2 H 0.554846 0.437123 0.739218 0.070 Uiso 1 1 calc R U . . .
C3 C 0.6684(3) 0.3594(2) 0.8390(3) 0.0710(9) Uani 1 1 d . . . . .
H3 H 0.676807 0.381656 0.911964 0.085 Uiso 1 1 calc R U . . .
C4 C 0.7290(3) 0.2945(2) 0.8354(3) 0.0742(9) Uani 1 1 d . . . . .
H4 H 0.778030 0.272590 0.905483 0.089 Uiso 1 1 calc R U . . .
C5 C 0.7171(3) 0.26139(18) 0.7269(3) 0.0633(8) Uani 1 1 d . . . . .
H5 H 0.758992 0.217382 0.724403 0.076 Uiso 1 1 calc R U . . .
C10 C 0.9261(2) 0.30236(18) 0.3581(3) 0.0623(8) Uani 1 1 d . . . . .
H10A H 0.979333 0.322145 0.316691 0.093 Uiso 1 1 calc R U . . .
H10B H 0.922174 0.336478 0.419030 0.093 Uiso 1 1 calc R U . . .
H10C H 0.958263 0.255625 0.393502 0.093 Uiso 1 1 calc R U . . .
C11 C 0.8011(3) 0.23177(18) 0.1777(3) 0.0725(9) Uani 1 1 d . . . . .
H11A H 0.719690 0.224559 0.122601 0.109 Uiso 1 1 calc R U . . .
H11B H 0.855759 0.248156 0.135449 0.109 Uiso 1 1 calc R U . . .
H11C H 0.830849 0.185786 0.217399 0.109 Uiso 1 1 calc R U . . .
C20 C 0.7538(2) 0.50474(15) 0.5359(2) 0.0477(6) Uani 1 1 d . . . . .
C21 C 0.7922(3) 0.57432(19) 0.6083(3) 0.0765(10) Uani 1 1 d . . . . .
H21A H 0.725080 0.609223 0.587503 0.115 Uiso 1 1 calc R U . . .
H21B H 0.813499 0.562429 0.691301 0.115 Uiso 1 1 calc R U . . .
H21C H 0.862555 0.595738 0.592384 0.115 Uiso 1 1 calc R U . . .
N4 N 0.4399(2) 0.35693(16) 0.1679(2) 0.0633(7) Uani 1 1 d . . . . .
H4A H 0.994(3) 0.5434(19) 0.371(3) 0.062(11) Uiso 1 1 d . . . . .
H3A H 0.465(3) 0.417(2) 0.527(3) 0.071(12) Uiso 1 1 d . . . . .
H1A H 0.767(2) 0.3098(14) 0.479(2) 0.033(6) Uiso 1 1 d . . . . .
H2A H 0.806(3) 0.4369(14) 0.325(2) 0.037(6) Uiso 1 1 d . . . . .
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
N3 Zn1 O1 113.50(9) . . ?
N3 Zn1 N1 112.57(10) . . ?
O1 Zn1 N1 130.09(8) . . ?
N3 Zn1 N2 100.41(10) . . ?
O1 Zn1 N2 96.07(8) . . ?
N1 Zn1 N2 93.61(8) . . ?
N3 Zn1 O3 87.70(10) . . ?
O1 Zn1 O3 78.69(8) . . ?
N1 Zn1 O3 85.02(8) . . ?
N2 Zn1 O3 171.64(8) . . ?
C19 O4 H4A 114(3) . . ?
C1 O3 Zn1 113.63(16) . . ?
C1 O3 H3A 115(3) . . ?
Zn1 O3 H3A 117(3) . . ?
C20 O1 Zn1 108.15(16) . . ?
C12 N2 C13 112.1(2) . . ?
C12 N2 Zn1 113.91(17) . . ?
C13 N2 Zn1 111.17(16) . . ?
C12 N2 H2A 109.4(17) . . ?
C13 N2 H2A 104.2(17) . . ?
Zn1 N2 H2A 105.4(17) . . ?
C8 N1 C7 109.89(19) . . ?
C8 N1 Zn1 110.59(15) . . ?
C7 N1 Zn1 114.59(15) . . ?
C8 N1 H1A 105.5(17) . . ?
C7 N1 H1A 107.2(17) . . ?
Zn1 N1 H1A 108.6(18) . . ?
N4 N3 Zn1 123.0(2) . . ?
C14 C13 N2 115.3(2) . . ?
C14 C13 H13A 108.4 . . ?
N2 C13 H13A 108.4 . . ?
C14 C13 H13B 108.4 . . ?
N2 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C19 118.1(3) . . ?
C15 C14 C13 121.8(3) . . ?
C19 C14 C13 120.0(2) . . ?
C16 C15 C14 121.8(3) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C17 119.3(3) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C19 119.3(3) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
O4 C19 C18 122.9(3) . . ?
O4 C19 C14 116.5(3) . . ?
C18 C19 C14 120.6(3) . . ?
N2 C12 C9 114.5(2) . . ?
N2 C12 H12A 108.6 . . ?
C9 C12 H12A 108.6 . . ?
N2 C12 H12B 108.6 . . ?
C9 C12 H12B 108.6 . . ?
H12A C12 H12B 107.6 . . ?
C10 C9 C8 110.8(2) . . ?
C10 C9 C12 110.5(2) . . ?
C8 C9 C12 114.0(2) . . ?
C10 C9 C11 109.4(2) . . ?
C8 C9 C11 105.5(2) . . ?
C12 C9 C11 106.4(2) . . ?
N1 C8 C9 116.0(2) . . ?
N1 C8 H8A 108.3 . . ?
C9 C8 H8A 108.3 . . ?
N1 C8 H8B 108.3 . . ?
C9 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
N1 C7 C6 111.7(2) . . ?
N1 C7 H7A 109.3 . . ?
C6 C7 H7A 109.3 . . ?
N1 C7 H7B 109.3 . . ?
C6 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
C5 C6 C1 118.1(3) . . ?
C5 C6 C7 121.5(3) . . ?
C1 C6 C7 120.4(2) . . ?
O3 C1 C2 123.3(2) . . ?
O3 C1 C6 115.3(2) . . ?
C2 C1 C6 121.4(3) . . ?
C1 C2 C3 119.1(3) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C20 O1 121.5(2) . . ?
O2 C20 C21 121.8(2) . . ?
O1 C20 C21 116.7(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 N4 N3 177.2(3) . . ?
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 N3 1.984(2) . ?
Zn1 O1 2.0083(17) . ?
Zn1 N1 2.0557(19) . ?
Zn1 N2 2.117(2) . ?
Zn1 O3 2.431(2) . ?
O4 C19 1.357(3) . ?
O4 H4A 0.69(3) . ?
O3 C1 1.369(3) . ?
O3 H3A 0.76(4) . ?
O1 C20 1.280(3) . ?
O2 C20 1.236(3) . ?
N2 C12 1.484(3) . ?
N2 C13 1.496(3) . ?
N2 H2A 0.85(3) . ?
N1 C8 1.483(3) . ?
N1 C7 1.490(3) . ?
N1 H1A 0.81(3) . ?
N3 N4 1.187(3) . ?
N5 N4 1.147(4) . ?
C13 C14 1.486(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.383(4) . ?
C14 C19 1.398(4) . ?
C15 C16 1.370(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.377(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.385(4) . ?
C18 H18 0.9300 . ?
C12 C9 1.535(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C9 C10 1.533(4) . ?
C9 C8 1.533(4) . ?
C9 C11 1.542(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C7 C6 1.501(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C6 C5 1.388(4) . ?
C6 C1 1.388(4) . ?
C1 C2 1.378(4) . ?
C2 C3 1.379(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C20 C21 1.504(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
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
C12 N2 C13 C14 -63.6(3) . . . . ?
Zn1 N2 C13 C14 167.61(19) . . . . ?
N2 C13 C14 C15 119.4(3) . . . . ?
N2 C13 C14 C19 -61.3(3) . . . . ?
C19 C14 C15 C16 0.3(4) . . . . ?
C13 C14 C15 C16 179.7(3) . . . . ?
C14 C15 C16 C17 0.3(5) . . . . ?
C15 C16 C17 C18 -1.0(5) . . . . ?
C16 C17 C18 C19 1.0(5) . . . . ?
C17 C18 C19 O4 179.5(3) . . . . ?
C17 C18 C19 C14 -0.3(4) . . . . ?
C15 C14 C19 O4 179.9(2) . . . . ?
C13 C14 C19 O4 0.5(4) . . . . ?
C15 C14 C19 C18 -0.4(4) . . . . ?
C13 C14 C19 C18 -179.7(3) . . . . ?
C13 N2 C12 C9 176.0(2) . . . . ?
Zn1 N2 C12 C9 -56.7(3) . . . . ?
N2 C12 C9 C10 -62.4(3) . . . . ?
N2 C12 C9 C8 63.2(3) . . . . ?
N2 C12 C9 C11 178.9(2) . . . . ?
C7 N1 C8 C9 -168.1(2) . . . . ?
Zn1 N1 C8 C9 64.4(2) . . . . ?
C10 C9 C8 N1 56.5(3) . . . . ?
C12 C9 C8 N1 -68.9(3) . . . . ?
C11 C9 C8 N1 174.8(2) . . . . ?
C8 N1 C7 C6 166.4(2) . . . . ?
Zn1 N1 C7 C6 -68.4(2) . . . . ?
N1 C7 C6 C5 -108.3(3) . . . . ?
N1 C7 C6 C1 71.1(3) . . . . ?
Zn1 O3 C1 C2 124.5(2) . . . . ?
Zn1 O3 C1 C6 -54.7(3) . . . . ?
C5 C6 C1 O3 -178.9(2) . . . . ?
C7 C6 C1 O3 1.6(3) . . . . ?
C5 C6 C1 C2 2.0(4) . . . . ?
C7 C6 C1 C2 -177.5(2) . . . . ?
O3 C1 C2 C3 178.7(3) . . . . ?
C6 C1 C2 C3 -2.2(4) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C1 C6 C5 C4 -0.6(4) . . . . ?
C7 C6 C5 C4 178.9(3) . . . . ?
Zn1 O1 C20 O2 0.1(3) . . . . ?
Zn1 O1 C20 C21 179.9(2) . . . . ?
