#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:29:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180476 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214552.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_7214552
loop_
_publ_author_name
'He, Xiang'
'Lu, Xiao-Peng'
'Tian, Yu-Yang'
'Li, Ming-Xing'
'Zhu, Shourong'
'Xing, Feifei'
'Morris, Russell E.'
_publ_section_title
;
 Controlling interpenetration in metal--organic frameworks by tuning the
 conformations of flexible bis(triazole) ligands
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9437
_journal_paper_doi               10.1039/c3ce40445e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C60 H46 N12 O10 Zn2'
_chemical_formula_weight         1225.83
_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           SHELXL-97
_cell_angle_alpha                114.531(2)
_cell_angle_beta                 100.790(2)
_cell_angle_gamma                92.305(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1203(19)
_cell_length_b                   12.479(2)
_cell_length_c                   12.856(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1438.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7217
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.904
_exptl_absorpt_correction_T_max  0.9734
_exptl_absorpt_correction_T_min  0.9151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.093
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       0.010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4942
_refine_ls_number_restraints     603
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0806
_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)+(0.1570P)²+0.9338P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2360
_refine_ls_wR_factor_ref         0.2581
_reflns_number_gt                3381
_reflns_number_total             4942
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40445e.txt
_cod_data_source_block           d
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7214552
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 0.2588(6) 0.6759(6) 0.1626(6) 0.0327(12) Uani 1 1 d U
C2 C 0.1272(6) 0.6119(6) 0.1572(5) 0.0319(12) Uani 1 1 d U
C3 C 0.0132(6) 0.6708(6) 0.1657(5) 0.0318(12) Uani 1 1 d U
H3 H 0.0183 0.7505 0.1747 0.038 Uiso 1 1 calc R
C4 C -0.1079(6) 0.6112(6) 0.1607(5) 0.0314(12) Uani 1 1 d U
C5 C -0.2304(6) 0.6772(6) 0.1697(6) 0.0355(13) Uani 1 1 d U
C6 C -0.1175(6) 0.4953(5) 0.1463(6) 0.0332(12) Uani 1 1 d U
H6 H -0.2008 0.4562 0.1449 0.040 Uiso 1 1 calc R
C7 C -0.0037(6) 0.4360(6) 0.1337(6) 0.0340(12) Uani 1 1 d U
C8 C 0.1183(6) 0.4944(6) 0.1398(5) 0.0325(12) Uani 1 1 d U
H8 H 0.1960 0.4541 0.1322 0.039 Uiso 1 1 calc R
C9 C 0.0887(7) 0.2524(6) 0.0826(7) 0.0447(14) Uani 1 1 d U
H9A H 0.1661 0.2793 0.1513 0.054 Uiso 1 1 calc R
H9B H 0.1192 0.2647 0.0191 0.054 Uiso 1 1 calc R
C10 C 0.0392(7) 0.1217(6) 0.0416(7) 0.0474(16) Uani 1 1 d DU
C13 C 1.6049(8) 1.2387(7) 0.0615(7) 0.0531(18) Uani 1 1 d U
H13 H 1.6460 1.1708 0.0213 0.064 Uiso 1 1 calc R
C14 C 1.4931(7) 1.3826(6) 0.0925(6) 0.0392(14) Uani 1 1 d U
H14 H 1.4392 1.4404 0.0843 0.047 Uiso 1 1 calc R
C15 C 1.5358(8) 1.4637(7) 0.3118(6) 0.0495(15) Uani 1 1 d U
H15A H 1.5214 1.5422 0.3131 0.059 Uiso 1 1 calc R
H15B H 1.6218 1.4741 0.3685 0.059 Uiso 1 1 calc R
C16 C 1.4214(7) 1.4204(7) 0.3492(6) 0.0443(14) Uani 1 1 d U
C17 C 1.3126(8) 1.4866(7) 0.3700(6) 0.0484(15) Uani 1 1 d U
H17 H 1.3147 1.5605 0.3651 0.058 Uiso 1 1 calc R
C18 C 0.6662(8) 0.9575(7) 0.3596(7) 0.0598(19) Uani 1 1 d U
H18 H 0.7520 0.9303 0.3534 0.072 Uiso 1 1 calc R
C19 C 0.4613(9) 0.9709(8) 0.3295(7) 0.064(2) Uani 1 1 d U
H19 H 0.3666 0.9509 0.2963 0.077 Uiso 1 1 calc R
C20 C 0.7472(8) 1.1578(8) 0.5341(7) 0.0626(18) Uani 1 1 d U
H20A H 0.7853 1.1306 0.5943 0.075 Uiso 1 1 calc R
H20B H 0.6979 1.2256 0.5710 0.075 Uiso 1 1 calc R
C21 C 0.8626(8) 1.1998(7) 0.4946(7) 0.0566(17) Uani 1 1 d U
C22 C 0.9929(8) 1.1930(7) 0.5441(7) 0.0577(16) Uani 1 1 d U
H22 H 1.0085 1.1570 0.5967 0.069 Uiso 1 1 calc R
C23 C 1.0999(8) 1.2386(7) 0.5171(7) 0.0554(15) Uani 1 1 d U
H23 H 1.1898 1.2344 0.5521 0.066 Uiso 1 1 calc R
C24 C 1.0797(8) 1.2917(7) 0.4383(6) 0.0495(14) Uani 1 1 d U
C25 C 0.9469(8) 1.2945(7) 0.3867(7) 0.0563(16) Uani 1 1 d U
H25 H 0.9298 1.3288 0.3326 0.068 Uiso 1 1 calc R
C26 C 0.8398(8) 1.2472(7) 0.4145(7) 0.0584(17) Uani 1 1 d U
H26 H 0.7493 1.2475 0.3777 0.070 Uiso 1 1 calc R
C27 C 1.1986(7) 1.3393(7) 0.4106(6) 0.0456(14) Uani 1 1 d U
C28 C 1.3079(8) 1.2757(7) 0.3925(6) 0.0514(15) Uani 1 1 d U
H28 H 1.3085 1.2043 0.4021 0.062 Uiso 1 1 calc R
C29 C 1.4173(8) 1.3162(7) 0.3601(6) 0.0494(15) Uani 1 1 d U
H29 H 1.4901 1.2702 0.3453 0.059 Uiso 1 1 calc R
C30 C 1.2013(8) 1.4440(7) 0.3979(6) 0.0481(14) Uani 1 1 d U
H30 H 1.1261 1.4875 0.4083 0.058 Uiso 1 1 calc R
N1 N 1.5240(5) 1.2934(5) 0.0053(5) 0.0411(14) Uani 1 1 d .
N2 N 1.6201(7) 1.2891(7) 0.1760(6) 0.0636(19) Uani 1 1 d .
N3 N 1.5475(6) 1.3809(5) 0.1931(5) 0.0432(14) Uani 1 1 d .
N4 N 0.5533(6) 0.8958(5) 0.2912(5) 0.0458(15) Uani 1 1 d .
N5 N 0.5170(8) 1.0761(7) 0.4186(7) 0.076(2) Uani 1 1 d .
N6 N 0.6509(6) 1.0609(5) 0.4380(5) 0.0507(16) Uani 1 1 d .
O1 O 0.3656(4) 0.6276(4) 0.1716(4) 0.0392(11) Uani 1 1 d .
O2 O 0.2616(5) 0.7744(4) 0.1593(5) 0.0504(13) Uani 1 1 d .
O3 O -0.2207(5) 0.7776(5) 0.1725(6) 0.0619(16) Uani 1 1 d .
O4 O -0.3406(4) 0.6259(4) 0.1715(5) 0.0460(12) Uani 1 1 d .
O5 O -0.0217(4) 0.3188(4) 0.1138(4) 0.0431(12) Uani 1 1 d .
Zn1 Zn 0.51615(7) 0.72848(7) 0.16280(7) 0.0352(3) Uani 1 1 d .
C11 C -0.0767(11) 0.0689(9) -0.0411(10) 0.096(3) Uani 1 1 d DU
H11A H -0.1313 0.1145 -0.0709 0.115 Uiso 1 1 calc R
C12 C 0.1165(11) 0.0551(8) 0.0834(10) 0.093(3) Uani 1 1 d DU
H12A H 0.1980 0.0919 0.1414 0.111 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
O2 C1 O1 121.7(6) . .
O2 C1 C2 120.1(5) . .
O1 C1 C2 118.3(5) . .
C3 C2 C8 120.4(6) . .
C3 C2 C1 119.1(6) . .
C8 C2 C1 120.4(5) . .
C2 C3 C4 118.8(6) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C6 C4 C3 121.4(6) . .
C6 C4 C5 121.0(6) . .
C3 C4 C5 117.6(6) . .
O3 C5 O4 122.6(6) . .
O3 C5 C4 119.0(6) . .
O4 C5 C4 118.4(6) . .
C4 C6 C7 119.2(6) . .
C4 C6 H6 120.4 . .
C7 C6 H6 120.4 . .
O5 C7 C6 116.4(5) . .
O5 C7 C8 123.5(5) . .
C6 C7 C8 120.2(6) . .
C7 C8 C2 119.9(6) . .
C7 C8 H8 120.0 . .
C2 C8 H8 120.0 . .
O5 C9 C10 108.1(6) . .
O5 C9 H9A 110.1 . .
C10 C9 H9A 110.1 . .
O5 C9 H9B 110.1 . .
C10 C9 H9B 110.1 . .
H9A C9 H9B 108.4 . .
C11 C10 C12 119.5(8) . .
C11 C10 C9 120.8(7) . .
C12 C10 C9 119.6(7) . .
N2 C13 N1 113.7(7) . .
N2 C13 H13 123.2 . .
N1 C13 H13 123.2 . .
N3 C14 N1 110.4(6) . .
N3 C14 H14 124.8 . .
N1 C14 H14 124.8 . .
N3 C15 C16 112.2(6) . .
N3 C15 H15A 109.2 . .
C16 C15 H15A 109.2 . .
N3 C15 H15B 109.2 . .
C16 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C29 C16 C17 118.8(7) . .
C29 C16 C15 122.0(7) . .
C17 C16 C15 119.2(7) . .
C30 C17 C16 120.0(7) . .
C30 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
N4 C18 N6 113.3(7) . .
N4 C18 H18 123.4 . .
N6 C18 H18 123.4 . .
N5 C19 N4 113.6(7) . .
N5 C19 H19 123.2 . .
N4 C19 H19 123.2 . .
N6 C20 C21 113.3(6) . .
N6 C20 H20A 108.9 . .
C21 C20 H20A 108.9 . .
N6 C20 H20B 108.9 . .
C21 C20 H20B 108.9 . .
H20A C20 H20B 107.7 . .
C26 C21 C22 120.3(8) . .
C26 C21 C20 121.7(8) . .
C22 C21 C20 118.0(8) . .
C23 C22 C21 119.5(8) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C22 C23 C24 121.5(8) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C25 C24 C23 118.0(7) . .
C25 C24 C27 122.1(7) . .
C23 C24 C27 119.8(7) . .
C26 C25 C24 119.7(8) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C21 C26 C25 121.0(8) . .
C21 C26 H26 119.5 . .
C25 C26 H26 119.5 . .
C28 C27 C30 118.6(7) . .
C28 C27 C24 119.7(7) . .
C30 C27 C24 121.6(7) . .
C27 C28 C29 120.4(7) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C16 C29 C28 121.1(7) . .
C16 C29 H29 119.4 . .
C28 C29 H29 119.4 . .
C17 C30 C27 121.0(7) . .
C17 C30 H30 119.5 . .
C27 C30 H30 119.5 . .
C14 N1 C13 102.7(6) . .
C14 N1 Zn1 124.6(5) . 2_775
C13 N1 Zn1 131.8(5) . 2_775
C13 N2 N3 102.5(6) . .
C14 N3 N2 110.7(6) . .
C14 N3 C15 127.9(6) . .
N2 N3 C15 121.4(6) . .
C18 N4 C19 102.4(7) . .
C18 N4 Zn1 130.1(5) . .
C19 N4 Zn1 127.5(5) . .
C19 N5 N6 101.6(6) . .
C18 N6 N5 108.9(7) . .
C18 N6 C20 132.6(7) . .
N5 N6 C20 118.4(6) . .
C1 O1 Zn1 107.5(4) . .
C5 O4 Zn1 107.3(4) . 1_455
C7 O5 C9 116.5(5) . .
O4 Zn1 O1 96.83(18) 1_655 .
O4 Zn1 N4 115.4(2) 1_655 .
O1 Zn1 N4 114.1(2) . .
O4 Zn1 N1 104.8(2) 1_655 2_775
O1 Zn1 N1 105.1(2) . 2_775
N4 Zn1 N1 118.0(2) . 2_775
C10 C11 C12 119.7(9) . 2
C10 C11 H11A 120.1 . .
C12 C11 H11A 120.1 2 .
C10 C12 C11 120.8(9) . 2
C10 C12 H12A 119.6 . .
C11 C12 H12A 119.6 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.246(7) .
C1 O1 1.268(7) .
C1 C2 1.500(9) .
C2 C3 1.390(8) .
C2 C8 1.385(9) .
C3 C4 1.385(8) .
C3 H3 0.9500 .
C4 C6 1.376(9) .
C4 C5 1.512(8) .
C5 O3 1.237(8) .
C5 O4 1.273(8) .
C6 C7 1.392(8) .
C6 H6 0.9500 .
C7 O5 1.375(7) .
C7 C8 1.381(9) .
C8 H8 0.9500 .
C9 O5 1.436(8) .
C9 C10 1.520(9) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.353(10) .
C10 C12 1.362(10) .
C13 N2 1.314(10) .
C13 N1 1.376(9) .
C13 H13 0.9500 .
C14 N3 1.317(8) .
C14 N1 1.310(8) .
C14 H14 0.9500 .
C15 N3 1.477(9) .
C15 C16 1.496(10) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C29 1.364(10) .
C16 C17 1.403(10) .
C17 C30 1.393(10) .
C17 H17 0.9500 .
C18 N4 1.289(10) .
C18 N6 1.304(10) .
C18 H18 0.9500 .
C19 N5 1.343(11) .
C19 N4 1.358(10) .
C19 H19 0.9500 .
C20 N6 1.467(10) .
C20 C21 1.513(11) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C26 1.376(12) .
C21 C22 1.375(11) .
C22 C23 1.368(11) .
C22 H22 0.9500 .
C23 C24 1.414(11) .
C23 H23 0.9500 .
C24 C25 1.392(11) .
C24 C27 1.485(10) .
C25 C26 1.386(11) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.386(10) .
C27 C30 1.382(10) .
C28 C29 1.399(10) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 H30 0.9500 .
N1 Zn1 2.020(6) 2_775
N2 N3 1.348(9) .
N4 Zn1 2.017(6) .
N5 N6 1.366(9) .
O1 Zn1 1.986(4) .
O4 Zn1 1.990(4) 1_455
Zn1 O4 1.990(4) 1_655
Zn1 N1 2.020(6) 2_775
C11 C12 1.422(11) 2
C11 H11A 0.9500 .
C12 C11 1.422(11) 2
C12 H12A 0.9500 .
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_4
O2 C1 C2 C3 -9.2(9) .
O1 C1 C2 C3 170.1(6) .
O2 C1 C2 C8 168.5(6) .
O1 C1 C2 C8 -12.2(9) .
C8 C2 C3 C4 2.3(9) .
C1 C2 C3 C4 -180.0(5) .
C2 C3 C4 C6 -0.8(9) .
C2 C3 C4 C5 -179.8(6) .
C6 C4 C5 O3 -173.9(6) .
C3 C4 C5 O3 5.1(9) .
C6 C4 C5 O4 4.7(9) .
C3 C4 C5 O4 -176.3(6) .
C3 C4 C6 C7 -1.5(10) .
C5 C4 C6 C7 177.5(6) .
C4 C6 C7 O5 -176.9(6) .
C4 C6 C7 C8 2.2(10) .
O5 C7 C8 C2 178.4(6) .
C6 C7 C8 C2 -0.7(10) .
C3 C2 C8 C7 -1.6(10) .
C1 C2 C8 C7 -179.3(6) .
O5 C9 C10 C11 51.0(11) .
O5 C9 C10 C12 -133.0(9) .
N3 C15 C16 C29 61.4(9) .
N3 C15 C16 C17 -116.3(8) .
C29 C16 C17 C30 -1.8(11) .
C15 C16 C17 C30 176.0(6) .
N6 C20 C21 C26 61.3(11) .
N6 C20 C21 C22 -120.8(9) .
C26 C21 C22 C23 2.9(13) .
C20 C21 C22 C23 -175.0(7) .
C21 C22 C23 C24 -0.6(13) .
C22 C23 C24 C25 -1.2(12) .
C22 C23 C24 C27 -179.5(7) .
C23 C24 C25 C26 0.7(12) .
C27 C24 C25 C26 179.0(7) .
C22 C21 C26 C25 -3.4(13) .
C20 C21 C26 C25 174.5(7) .
C24 C25 C26 C21 1.5(12) .
C25 C24 C27 C28 -136.7(8) .
C23 C24 C27 C28 41.6(11) .
C25 C24 C27 C30 40.9(11) .
C23 C24 C27 C30 -140.9(8) .
C30 C27 C28 C29 -1.1(11) .
C24 C27 C28 C29 176.5(7) .
C17 C16 C29 C28 -0.7(11) .
C15 C16 C29 C28 -178.5(7) .
C27 C28 C29 C16 2.2(11) .
C16 C17 C30 C27 2.9(11) .
C28 C27 C30 C17 -1.4(11) .
C24 C27 C30 C17 -179.0(7) .
N3 C14 N1 C13 -1.5(8) .
N3 C14 N1 Zn1 -171.8(4) 2_775
N2 C13 N1 C14 1.6(9) .
N2 C13 N1 Zn1 170.8(5) 2_775
N1 C13 N2 N3 -1.0(9) .
N1 C14 N3 N2 1.0(8) .
N1 C14 N3 C15 -178.8(6) .
C13 N2 N3 C14 0.0(8) .
C13 N2 N3 C15 179.9(7) .
C16 C15 N3 C14 93.0(8) .
C16 C15 N3 N2 -86.8(8) .
N6 C18 N4 C19 2.3(10) .
N6 C18 N4 Zn1 -175.9(5) .
N5 C19 N4 C18 0.3(10) .
N5 C19 N4 Zn1 178.5(6) .
N4 C19 N5 N6 -2.5(10) .
N4 C18 N6 N5 -4.0(11) .
N4 C18 N6 C20 178.1(8) .
C19 N5 N6 C18 3.8(10) .
C19 N5 N6 C20 -178.0(7) .
C21 C20 N6 C18 54.0(13) .
C21 C20 N6 N5 -123.7(8) .
O2 C1 O1 Zn1 -5.4(8) .
C2 C1 O1 Zn1 175.3(4) .
O3 C5 O4 Zn1 5.7(8) 1_455
C4 C5 O4 Zn1 -172.8(4) 1_455
C6 C7 O5 C9 170.5(6) .
C8 C7 O5 C9 -8.6(9) .
C10 C9 O5 C7 -169.1(6) .
C1 O1 Zn1 O4 -177.4(4) 1_655
C1 O1 Zn1 N4 60.8(5) .
C1 O1 Zn1 N1 -70.1(4) 2_775
C18 N4 Zn1 O4 20.4(8) 1_655
C19 N4 Zn1 O4 -157.3(6) 1_655
C18 N4 Zn1 O1 131.4(7) .
C19 N4 Zn1 O1 -46.4(7) .
C18 N4 Zn1 N1 -104.5(8) 2_775
C19 N4 Zn1 N1 77.8(7) 2_775
C12 C10 C11 C12 0(2) 2
C9 C10 C11 C12 176.1(10) 2
C11 C10 C12 C11 0(2) 2
C9 C10 C12 C11 -176.1(10) 2
