#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:25:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180434 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/03/7210382.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_7210382
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Yang, Jin'
'Liu, Ying-Ying'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of MOFs based on a tricarboxylic acid and various N-donor
 ligands: syntheses, structures, and properties
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              6986
_journal_paper_doi               10.1039/c3ce40828k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C58 H46 N4 O16 Zn2'
_chemical_formula_sum            'C58 H46 N4 O16 Zn2'
_chemical_formula_weight         1185.81
_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                105.788(8)
_cell_angle_beta                 108.142(8)
_cell_angle_gamma                98.441(6)
_cell_formula_units_Z            1
_cell_length_a                   10.5387(8)
_cell_length_b                   10.7309(8)
_cell_length_c                   12.8111(14)
_cell_measurement_reflns_used    1671
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0732
_cell_measurement_theta_min      3.1196
_cell_volume                     1281.7(2)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0972
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7807
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    1.015
_exptl_absorpt_correction_T_max  0.8305
_exptl_absorpt_correction_T_min  0.7641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             610
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4512
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0610
_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)+(0.0552P)²+0.4243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1337
_reflns_number_gt                3149
_reflns_number_total             4512
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce40828k.txt
_cod_data_source_block           Compound-7
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210382
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
Zn1 Zn 0.55462(5) 0.38270(5) 0.50733(5) 0.02845(19) Uani 1 1 d .
C1 C 0.1659(5) 0.1103(5) 0.0038(5) 0.0378(13) Uani 1 1 d .
C2 C 0.2467(5) 0.1789(5) 0.1204(5) 0.0386(13) Uani 1 1 d .
H2 H 0.3284 0.1574 0.1545 0.046 Uiso 1 1 calc R
C3 C 0.2061(4) 0.2796(5) 0.1862(4) 0.0317(12) Uani 1 1 d .
C4 C 0.0844(4) 0.3102(5) 0.1349(4) 0.0338(12) Uani 1 1 d .
H4 H 0.0584 0.3798 0.1778 0.041 Uiso 1 1 calc R
C5 C 0.0004(5) 0.2380(5) 0.0198(4) 0.0368(13) Uani 1 1 d .
C6 C 0.0417(5) 0.1385(5) -0.0461(4) 0.0355(12) Uani 1 1 d .
H6 H -0.0139 0.0907 -0.1236 0.043 Uiso 1 1 calc R
C7 C 0.2195(8) 0.0101(6) -0.0644(6) 0.0575(17) Uani 1 1 d .
C8 C 0.3018(4) 0.3580(5) 0.3080(4) 0.0333(12) Uani 1 1 d .
C9 C -0.1735(5) 0.3559(6) 0.0293(5) 0.0501(15) Uani 1 1 d .
H9A H -0.1111 0.4437 0.0559 0.060 Uiso 1 1 calc R
H9B H -0.1780 0.3347 0.0972 0.060 Uiso 1 1 calc R
C10 C -0.3152(5) 0.3558(6) -0.0470(4) 0.0390(13) Uani 1 1 d .
C11 C -0.4250(5) 0.2450(6) -0.0884(5) 0.0488(15) Uani 1 1 d .
H11 H -0.4107 0.1676 -0.0724 0.059 Uiso 1 1 calc R
C12 C -0.5565(5) 0.2480(5) -0.1538(5) 0.0420(13) Uani 1 1 d .
H12 H -0.6293 0.1726 -0.1803 0.050 Uiso 1 1 calc R
C13 C -0.5813(4) 0.3615(5) -0.1803(4) 0.0319(11) Uani 1 1 d .
C14 C -0.4704(5) 0.4722(5) -0.1385(4) 0.0359(12) Uani 1 1 d .
H14 H -0.4842 0.5498 -0.1543 0.043 Uiso 1 1 calc R
C15 C -0.3394(5) 0.4689(5) -0.0734(4) 0.0385(13) Uani 1 1 d .
H15 H -0.2664 0.5441 -0.0469 0.046 Uiso 1 1 calc R
C16 C -0.7241(4) 0.3664(4) -0.2452(4) 0.0302(11) Uani 1 1 d .
C17 C -0.8321(5) 0.3111(5) -0.2162(5) 0.0387(13) Uani 1 1 d .
H17 H -0.8133 0.2677 -0.1615 0.046 Uiso 1 1 calc R
C18 C -0.9652(5) 0.3195(6) -0.2669(5) 0.0477(15) Uani 1 1 d .
H18 H -1.0353 0.2802 -0.2475 0.057 Uiso 1 1 calc R
C19 C -0.9943(5) 0.3851(6) -0.3452(5) 0.0508(16) Uani 1 1 d .
H19 H -1.0838 0.3922 -0.3783 0.061 Uiso 1 1 calc R
C20 C -0.8901(5) 0.4411(5) -0.3751(5) 0.0453(14) Uani 1 1 d .
H20 H -0.9098 0.4874 -0.4274 0.054 Uiso 1 1 calc R
C21 C -0.7557(4) 0.4292(4) -0.3283(4) 0.0303(11) Uani 1 1 d .
C22 C -0.6565(4) 0.4753(5) -0.3813(4) 0.0291(11) Uani 1 1 d .
C23 C 0.6570(4) 0.2054(5) 0.6465(5) 0.0344(12) Uani 1 1 d .
H23 H 0.6616 0.2669 0.7154 0.041 Uiso 1 1 calc R
C24 C 0.6970(4) 0.0971(4) 0.6423(4) 0.0202(10) Uani 1 1 d .
H24 H 0.7351 0.0669 0.7037 0.024 Uiso 1 1 calc R
C25 C 0.6185(4) 0.1125(5) 0.4685(5) 0.0322(12) Uani 1 1 d .
H25 H 0.5933 0.0918 0.3883 0.039 Uiso 1 1 calc R
C26 C 0.7188(5) -0.0822(5) 0.4876(5) 0.0381(13) Uani 1 1 d .
H26A H 0.6584 -0.1348 0.4080 0.046 Uiso 1 1 calc R
H26B H 0.7156 -0.1370 0.5361 0.046 Uiso 1 1 calc R
C27 C 0.8653(4) -0.0412(4) 0.4929(5) 0.0329(12) Uani 1 1 d .
C28 C 0.8944(5) 0.0254(6) 0.4230(5) 0.0510(16) Uani 1 1 d .
H28 H 0.8224 0.0430 0.3699 0.061 Uiso 1 1 calc R
C29 C 1.0285(5) 0.0676(5) 0.4289(5) 0.0460(14) Uani 1 1 d .
H29 H 1.0460 0.1131 0.3805 0.055 Uiso 1 1 calc R
N1 N 0.6075(3) 0.2216(3) 0.5409(3) 0.0277(9) Uani 1 1 d .
N2 N 0.6709(3) 0.0382(4) 0.5287(4) 0.0287(9) Uani 1 1 d .
O1 O 0.3874(3) 0.3017(3) 0.3586(3) 0.0462(10) Uani 1 1 d .
O2 O 0.2944(3) 0.4745(3) 0.3519(3) 0.0422(9) Uani 1 1 d .
O3 O 0.3408(5) 0.0032(5) -0.0232(4) 0.0752(14) Uani 1 1 d .
O4 O 0.1371(5) -0.0653(4) -0.1673(4) 0.0748(14) Uani 1 1 d .
H4O H 0.1767 -0.1164 -0.1970 0.112 Uiso 1 1 calc R
O5 O -0.1245(3) 0.2582(4) -0.0371(3) 0.0488(10) Uani 1 1 d .
O6 O -0.5790(3) 0.4031(3) -0.4034(3) 0.0364(8) Uani 1 1 d .
O7 O -0.6617(3) 0.5821(3) -0.4038(3) 0.0400(9) Uani 1 1 d .
O1W O 0.6604(6) 0.1807(6) 0.2332(5) 0.1140(19) Uani 1 1 d U
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
N1 Zn1 O1 102.92(14) . .
N1 Zn1 O2 97.98(14) . 2_666
O1 Zn1 O2 159.09(14) . 2_666
N1 Zn1 O7 102.98(14) . 2_565
O1 Zn1 O7 86.20(15) . 2_565
O2 Zn1 O7 89.57(14) 2_666 2_565
N1 Zn1 O6 97.50(14) . 1_656
O1 Zn1 O6 87.73(14) . 1_656
O2 Zn1 O6 89.14(14) 2_666 1_656
O7 Zn1 O6 159.46(13) 2_565 1_656
N1 Zn1 Zn1 167.61(12) . 2_666
O1 Zn1 Zn1 78.54(10) . 2_666
O2 Zn1 Zn1 80.95(10) 2_666 2_666
O7 Zn1 Zn1 89.37(9) 2_565 2_666
O6 Zn1 Zn1 70.18(9) 1_656 2_666
C6 C1 C2 120.0(5) . .
C6 C1 C7 122.2(5) . .
C2 C1 C7 117.7(5) . .
C1 C2 C3 120.2(4) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 119.4(4) . .
C4 C3 C8 122.2(4) . .
C2 C3 C8 118.2(4) . .
C3 C4 C5 120.5(5) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
O5 C5 C6 115.5(4) . .
O5 C5 C4 124.5(4) . .
C6 C5 C4 119.9(4) . .
C1 C6 C5 119.8(5) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
O3 C7 O4 122.0(6) . .
O3 C7 C1 120.5(6) . .
O4 C7 C1 117.4(6) . .
O2 C8 O1 124.8(4) . .
O2 C8 C3 118.1(4) . .
O1 C8 C3 117.0(4) . .
O5 C9 C10 108.6(4) . .
O5 C9 H9A 110.0 . .
C10 C9 H9A 110.0 . .
O5 C9 H9B 110.0 . .
C10 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C11 C10 C15 118.3(4) . .
C11 C10 C9 120.9(5) . .
C15 C10 C9 120.7(5) . .
C10 C11 C12 120.6(5) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C11 C12 C13 121.3(5) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C14 C13 C12 117.7(4) . .
C14 C13 C16 121.3(4) . .
C12 C13 C16 120.9(4) . .
C15 C14 C13 120.9(5) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C10 C15 C14 121.2(5) . .
C10 C15 H15 119.4 . .
C14 C15 H15 119.4 . .
C21 C16 C17 117.9(4) . .
C21 C16 C13 123.8(4) . .
C17 C16 C13 118.2(5) . .
C18 C17 C16 121.5(5) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C19 C18 C17 120.2(5) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 119.6(5) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C20 C21 121.2(5) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C16 C21 C20 119.6(4) . .
C16 C21 C22 124.0(4) . .
C20 C21 C22 116.1(4) . .
O6 C22 O7 124.9(5) . .
O6 C22 C21 117.9(4) . .
O7 C22 C21 117.2(4) . .
C24 C23 N1 113.8(5) . .
C24 C23 H23 123.1 . .
N1 C23 H23 123.1 . .
C23 C24 N2 103.6(4) . .
C23 C24 H24 128.2 . .
N2 C24 H24 128.2 . .
N2 C25 N1 108.9(5) . .
N2 C25 H25 125.5 . .
N1 C25 H25 125.5 . .
N2 C26 C27 109.9(4) . .
N2 C26 H26A 109.7 . .
C27 C26 H26A 109.7 . .
N2 C26 H26B 109.7 . .
C27 C26 H26B 109.7 . .
H26A C26 H26B 108.2 . .
C28 C27 C29 119.0(4) . 2_756
C28 C27 C26 120.9(5) . .
C29 C27 C26 120.1(5) 2_756 .
C27 C28 C29 121.9(5) . .
C27 C28 H28 119.0 . .
C29 C28 H28 119.0 . .
C27 C29 C28 119.1(5) 2_756 .
C27 C29 H29 120.5 2_756 .
C28 C29 H29 120.5 . .
C25 N1 C23 103.1(4) . .
C25 N1 Zn1 128.6(4) . .
C23 N1 Zn1 127.8(3) . .
C25 N2 C24 110.5(4) . .
C25 N2 C26 127.7(4) . .
C24 N2 C26 121.1(4) . .
C8 O1 Zn1 129.1(3) . .
C8 O2 Zn1 124.8(3) . 2_666
C7 O4 H4O 109.5 . .
C5 O5 C9 117.2(4) . .
C22 O6 Zn1 140.1(3) . 1_454
C22 O7 Zn1 114.8(3) . 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N1 2.006(4) .
Zn1 O1 2.012(3) .
Zn1 O2 2.031(3) 2_666
Zn1 O7 2.063(3) 2_565
Zn1 O6 2.073(3) 1_656
Zn1 Zn1 2.9448(11) 2_666
C1 C6 1.383(7) .
C1 C2 1.387(7) .
C1 C7 1.487(8) .
C2 C3 1.389(7) .
C2 H2 0.9300 .
C3 C4 1.379(6) .
C3 C8 1.488(7) .
C4 C5 1.387(7) .
C4 H4 0.9300 .
C5 O5 1.372(5) .
C5 C6 1.384(7) .
C6 H6 0.9300 .
C7 O3 1.244(7) .
C7 O4 1.284(7) .
C8 O2 1.249(6) .
C8 O1 1.268(5) .
C9 O5 1.427(6) .
C9 C10 1.509(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.380(7) .
C10 C15 1.383(7) .
C11 C12 1.389(7) .
C11 H11 0.9300 .
C12 C13 1.390(7) .
C12 H12 0.9300 .
C13 C14 1.386(6) .
C13 C16 1.492(6) .
C14 C15 1.384(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.390(7) .
C16 C17 1.404(7) .
C17 C18 1.379(7) .
C17 H17 0.9300 .
C18 C19 1.361(8) .
C18 H18 0.9300 .
C19 C20 1.382(7) .
C19 H19 0.9300 .
C20 C21 1.395(6) .
C20 H20 0.9300 .
C21 C22 1.507(7) .
C22 O6 1.249(5) .
C22 O7 1.260(5) .
C23 C24 1.286(6) .
C23 N1 1.359(6) .
C23 H23 0.9300 .
C24 N2 1.339(6) .
C24 H24 0.9300 .
C25 N2 1.316(6) .
C25 N1 1.327(6) .
C25 H25 0.9300 .
C26 N2 1.479(6) .
C26 C27 1.516(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.365(8) .
C27 C29 1.373(7) 2_756
C28 C29 1.392(7) .
C28 H28 0.9300 .
C29 C27 1.373(7) 2_756
C29 H29 0.9300 .
O2 Zn1 2.031(3) 2_666
O4 H4O 0.8200 .
O6 Zn1 2.073(3) 1_454
O7 Zn1 2.063(3) 2_565
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4O O1W 0.82 2.07 2.851(7) 157.8 2_655
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
C6 C1 C2 C3 -2.5(8) . .
C7 C1 C2 C3 175.9(5) . .
C1 C2 C3 C4 0.4(7) . .
C1 C2 C3 C8 -175.0(4) . .
C2 C3 C4 C5 2.3(8) . .
C8 C3 C4 C5 177.6(4) . .
C3 C4 C5 O5 177.6(5) . .
C3 C4 C5 C6 -3.0(8) . .
C2 C1 C6 C5 1.9(8) . .
C7 C1 C6 C5 -176.4(5) . .
O5 C5 C6 C1 -179.7(5) . .
C4 C5 C6 C1 0.8(8) . .
C6 C1 C7 O3 167.6(6) . .
C2 C1 C7 O3 -10.8(8) . .
C6 C1 C7 O4 -10.5(8) . .
C2 C1 C7 O4 171.1(5) . .
C4 C3 C8 O2 -21.7(7) . .
C2 C3 C8 O2 153.6(5) . .
C4 C3 C8 O1 159.9(5) . .
C2 C3 C8 O1 -24.8(7) . .
O5 C9 C10 C11 64.6(7) . .
O5 C9 C10 C15 -118.0(6) . .
C15 C10 C11 C12 -0.7(8) . .
C9 C10 C11 C12 176.8(5) . .
C10 C11 C12 C13 0.6(9) . .
C11 C12 C13 C14 -0.5(8) . .
C11 C12 C13 C16 -176.8(5) . .
C12 C13 C14 C15 0.6(8) . .
C16 C13 C14 C15 176.8(5) . .
C11 C10 C15 C14 0.7(8) . .
C9 C10 C15 C14 -176.7(5) . .
C13 C14 C15 C10 -0.7(8) . .
C14 C13 C16 C21 41.2(7) . .
C12 C13 C16 C21 -142.7(5) . .
C14 C13 C16 C17 -135.1(5) . .
C12 C13 C16 C17 41.1(7) . .
C21 C16 C17 C18 -0.7(7) . .
C13 C16 C17 C18 175.7(5) . .
C16 C17 C18 C19 -1.5(8) . .
C17 C18 C19 C20 1.2(9) . .
C18 C19 C20 C21 1.3(9) . .
C17 C16 C21 C20 3.1(7) . .
C13 C16 C21 C20 -173.1(5) . .
C17 C16 C21 C22 -170.7(4) . .
C13 C16 C21 C22 13.1(7) . .
C19 C20 C21 C16 -3.5(8) . .
C19 C20 C21 C22 170.8(5) . .
C16 C21 C22 O6 38.2(7) . .
C20 C21 C22 O6 -135.8(5) . .
C16 C21 C22 O7 -144.3(5) . .
C20 C21 C22 O7 41.7(6) . .
N1 C23 C24 N2 -0.9(5) . .
N2 C26 C27 C28 -65.9(6) . .
N2 C26 C27 C29 112.3(5) . 2_756
C29 C27 C28 C29 -0.2(9) 2_756 .
C26 C27 C28 C29 178.0(5) . .
C27 C28 C29 C27 0.2(9) . 2_756
N2 C25 N1 C23 0.1(5) . .
N2 C25 N1 Zn1 172.9(3) . .
C24 C23 N1 C25 0.5(5) . .
C24 C23 N1 Zn1 -172.3(3) . .
O1 Zn1 N1 C25 46.6(4) . .
O2 Zn1 N1 C25 -133.9(4) 2_666 .
O7 Zn1 N1 C25 -42.5(4) 2_565 .
O6 Zn1 N1 C25 135.9(4) 1_656 .
Zn1 Zn1 N1 C25 142.0(4) 2_666 .
O1 Zn1 N1 C23 -142.4(4) . .
O2 Zn1 N1 C23 37.2(4) 2_666 .
O7 Zn1 N1 C23 128.6(4) 2_565 .
O6 Zn1 N1 C23 -53.0(4) 1_656 .
Zn1 Zn1 N1 C23 -46.9(7) 2_666 .
N1 C25 N2 C24 -0.6(5) . .
N1 C25 N2 C26 -171.0(4) . .
C23 C24 N2 C25 0.9(5) . .
C23 C24 N2 C26 172.0(4) . .
C27 C26 N2 C25 83.2(6) . .
C27 C26 N2 C24 -86.2(5) . .
O2 C8 O1 Zn1 -11.4(8) . .
C3 C8 O1 Zn1 166.9(3) . .
N1 Zn1 O1 C8 169.0(4) . .
O2 Zn1 O1 C8 -9.8(7) 2_666 .
O7 Zn1 O1 C8 -88.6(4) 2_565 .
O6 Zn1 O1 C8 71.8(4) 1_656 .
Zn1 Zn1 O1 C8 1.6(4) 2_666 .
O1 C8 O2 Zn1 17.5(7) . 2_666
C3 C8 O2 Zn1 -160.8(3) . 2_666
C6 C5 O5 C9 177.3(5) . .
C4 C5 O5 C9 -3.3(8) . .
C10 C9 O5 C5 -176.4(5) . .
O7 C22 O6 Zn1 -9.0(8) . 1_454
C21 C22 O6 Zn1 168.3(3) . 1_454
O6 C22 O7 Zn1 9.9(6) . 2_565
C21 C22 O7 Zn1 -167.4(3) . 2_565
