#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:31:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180438 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/07/7210706.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_7210706
loop_
_publ_author_name
'He, Xiang'
'Lu, Xiao-Peng'
'Ju, Zhan-Feng'
'Li, Chun-Ju'
'Zhang, Qi-Kai'
'Li, Ming-Xing'
_publ_section_title
;
 Syntheses, structures, and photoluminescent properties of ten
 metal--organic frameworks constructed by a flexible tetracarboxylate
 ligand
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2731
_journal_paper_doi               10.1039/c3ce26864k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C76 H60 N2 O32 Zn2'
_chemical_formula_weight         1644.00
_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                93.143(16)
_cell_angle_beta                 100.055(19)
_cell_angle_gamma                111.373(19)
_cell_formula_units_Z            1
_cell_length_a                   8.642(13)
_cell_length_b                   10.856(16)
_cell_length_c                   21.62(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1844(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.1478
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11132
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.743
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.702
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.265
_refine_ls_extinction_coef       0.043(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.289
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.289
_refine_ls_R_factor_all          0.2484
_refine_ls_R_factor_gt           0.1540
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3972
_refine_ls_wR_factor_ref         0.4435
_reflns_number_gt                3636
_reflns_number_total             7986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce26864k.txt
_cod_data_source_block           a
_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               7210706
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 0.1786(15) 0.4998(11) 0.3828(5) 0.054(3) Uani 1 1 d .
C2 C 0.1056(14) 0.5381(10) 0.3210(4) 0.044(2) Uani 1 1 d .
C3 C 0.0487(13) 0.6359(9) 0.3214(4) 0.040(2) Uani 1 1 d .
H3A H 0.0545 0.6832 0.3594 0.048 Uiso 1 1 calc R
C4 C -0.0197(14) 0.6672(10) 0.2642(5) 0.045(2) Uani 1 1 d .
C5 C -0.0809(16) 0.7810(11) 0.2662(5) 0.057(3) Uani 1 1 d .
C6 C -0.0263(13) 0.6023(9) 0.2090(4) 0.043(2) Uani 1 1 d .
H6A H -0.0696 0.6261 0.1711 0.051 Uiso 1 1 calc R
C7 C 0.0319(15) 0.4989(12) 0.2086(5) 0.057(3) Uani 1 1 d .
C8 C 0.1024(15) 0.4696(10) 0.2647(4) 0.052(3) Uani 1 1 d .
H8A H 0.1480 0.4041 0.2649 0.062 Uiso 1 1 calc R
C9 C 0.078(3) 0.3282(19) 0.1460(7) 0.125(8) Uani 1 1 d .
H9A H 0.0420 0.2714 0.1781 0.150 Uiso 1 1 calc R
H9B H 0.2009 0.3610 0.1528 0.150 Uiso 1 1 calc R
C10 C -0.002(2) 0.2491(15) 0.0798(6) 0.068(4) Uani 1 1 d .
C11 C 0.056(3) 0.324(2) 0.0319(8) 0.146(9) Uani 1 1 d .
H11A H 0.1334 0.4119 0.0406 0.176 Uiso 1 1 calc R
C12 C -0.013(3) 0.255(2) -0.0320(8) 0.138(9) Uani 1 1 d .
H12A H 0.0089 0.3031 -0.0661 0.165 Uiso 1 1 calc R
C13 C -0.106(2) 0.1261(16) -0.0428(6) 0.077(4) Uani 1 1 d .
C14 C -0.158(3) 0.065(2) 0.0047(7) 0.112(6) Uani 1 1 d .
H14A H -0.2330 -0.0234 -0.0027 0.135 Uiso 1 1 calc R
C15 C -0.105(3) 0.132(2) 0.0657(7) 0.102(5) Uani 1 1 d .
H15A H -0.1481 0.0858 0.0979 0.123 Uiso 1 1 calc R
C16 C -0.174(3) 0.0509(17) -0.1129(7) 0.118(7) Uani 1 1 d .
H16A H -0.0802 0.0617 -0.1337 0.142 Uiso 1 1 calc R
H16B H -0.2351 -0.0437 -0.1122 0.142 Uiso 1 1 calc R
C17 C -0.3186(17) 0.0821(11) -0.2115(5) 0.059(3) Uani 1 1 d .
C18 C -0.3942(16) 0.1604(11) -0.2432(5) 0.056(3) Uani 1 1 d .
H18A H -0.4202 0.2230 -0.2206 0.067 Uiso 1 1 calc R
C19 C -0.4307(14) 0.1437(10) -0.3093(5) 0.047(3) Uani 1 1 d .
C20 C -0.5143(16) 0.2237(10) -0.3442(6) 0.057(3) Uani 1 1 d .
C21 C -0.4023(14) 0.0446(9) -0.3427(4) 0.044(2) Uani 1 1 d .
H21A H -0.4341 0.0296 -0.3866 0.053 Uiso 1 1 calc R
C22 C -0.3264(15) -0.0325(10) -0.3105(5) 0.048(3) Uani 1 1 d .
C23 C -0.2990(15) -0.1393(10) -0.3474(5) 0.053(3) Uani 1 1 d .
C24 C -0.2827(14) -0.0138(10) -0.2447(4) 0.047(3) Uani 1 1 d .
H24A H -0.2303 -0.0649 -0.2232 0.056 Uiso 1 1 calc R
C25 C 0.3216(15) 0.5627(11) 0.6219(5) 0.053(3) Uani 1 1 d .
C26 C 0.3351(14) 0.6412(9) 0.6825(5) 0.044(2) Uani 1 1 d .
C27 C 0.2715(12) 0.7433(9) 0.6831(4) 0.036(2) Uani 1 1 d .
H27A H 0.2271 0.7653 0.6449 0.044 Uiso 1 1 calc R
C28 C 0.2736(15) 0.8097(10) 0.7377(5) 0.051(3) Uani 1 1 d .
C29 C 0.2121(15) 0.9219(10) 0.7383(5) 0.048(3) Uani 1 1 d .
C30 C 0.3369(17) 0.7769(12) 0.7959(5) 0.061(3) Uani 1 1 d .
H30A H 0.3367 0.8219 0.8337 0.073 Uiso 1 1 calc R
C31 C 0.4006(17) 0.6753(11) 0.7963(5) 0.060(3) Uani 1 1 d .
C32 C 0.3982(14) 0.6083(10) 0.7410(5) 0.050(3) Uani 1 1 d .
H32A H 0.4387 0.5398 0.7418 0.060 Uiso 1 1 calc R
C33 C 0.439(2) 0.6731(16) 0.9091(6) 0.087(5) Uani 1 1 d .
H33A H 0.3236 0.6694 0.9046 0.104 Uiso 1 1 calc R
H33B H 0.5162 0.7636 0.9258 0.104 Uiso 1 1 calc R
C34 C 0.4676(17) 0.5762(12) 0.9558(5) 0.061(3) Uani 1 1 d .
C35 C 0.461(2) 0.4574(15) 0.9346(6) 0.085(5) Uani 1 1 d .
H35A H 0.4370 0.4285 0.8914 0.102 Uiso 1 1 calc R
C36 C 0.509(3) 0.6245(16) 1.0192(6) 0.107(6) Uani 1 1 d .
H36A H 0.5174 0.7103 1.0318 0.129 Uiso 1 1 calc R
O1 O 0.2135(15) 0.3949(10) 0.3832(4) 0.099(4) Uani 1 1 d .
O2 O 0.1945(12) 0.5667(8) 0.4325(3) 0.065(2) Uani 1 1 d .
O3 O -0.0649(11) 0.8464(8) 0.3177(3) 0.062(2) Uani 1 1 d .
O4 O -0.1464(12) 0.8039(8) 0.2104(3) 0.070(2) Uani 1 1 d .
H4A H -0.1634 0.8732 0.2144 0.104 Uiso 1 1 calc R
O5 O 0.0243(15) 0.4361(9) 0.1500(4) 0.089(3) Uani 1 1 d .
O6 O -0.2840(14) 0.1058(11) -0.1461(4) 0.088(3) Uani 1 1 d .
O7 O -0.5389(13) 0.3129(9) -0.3095(4) 0.082(3) Uani 1 1 d .
H7A H -0.5709 0.3607 -0.3322 0.123 Uiso 1 1 calc R
O8 O -0.5506(12) 0.2097(8) -0.4023(3) 0.067(2) Uani 1 1 d .
O9 O -0.3319(11) -0.1556(8) -0.4044(3) 0.065(2) Uani 1 1 d .
O10 O -0.2270(11) -0.2050(8) -0.3115(3) 0.062(2) Uani 1 1 d .
H10A H -0.2219 -0.2669 -0.3334 0.093 Uiso 1 1 calc R
O11 O 0.3597(14) 0.4625(9) 0.6214(4) 0.085(3) Uani 1 1 d .
O12 O 0.2809(11) 0.6062(8) 0.5715(3) 0.063(2) Uani 1 1 d .
O13 O 0.1672(10) 0.9523(7) 0.6835(3) 0.057(2) Uani 1 1 d .
H13A H 0.1377 1.0156 0.6874 0.086 Uiso 1 1 calc R
O14 O 0.2114(14) 0.9792(9) 0.7887(4) 0.079(3) Uani 1 1 d .
O15 O 0.4656(14) 0.6397(10) 0.8516(4) 0.086(3) Uani 1 1 d .
O16 O 0.4107(10) 0.3583(7) 0.5012(3) 0.0532(19) Uani 1 1 d .
Zn1 Zn 0.2696(2) 0.47188(13) 0.50147(6) 0.0596(6) Uani 1 1 d .
N1 N 0.0368(18) 0.3158(14) 0.5011(5) 0.097(4) Uani 1 1 d .
C102 C -0.133(3) 0.065(2) 0.4963(9) 0.120(6) Uiso 1 1 d .
C100 C -0.392(4) -0.021(3) 0.5057(14) 0.188(11) 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
O2 C1 O1 120.3(10) . .
O2 C1 C2 118.8(9) . .
O1 C1 C2 120.8(9) . .
C3 C2 C8 120.9(9) . .
C3 C2 C1 120.7(9) . .
C8 C2 C1 118.4(9) . .
C2 C3 C4 119.3(9) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C6 C4 C3 121.3(9) . .
C6 C4 C5 120.7(9) . .
C3 C4 C5 118.0(9) . .
O3 C5 O4 125.0(10) . .
O3 C5 C4 120.3(9) . .
O4 C5 C4 114.7(9) . .
C4 C6 C7 119.5(9) . .
C4 C6 H6A 120.3 . .
C7 C6 H6A 120.3 . .
C8 C7 C6 119.4(10) . .
C8 C7 O5 123.4(10) . .
C6 C7 O5 117.1(8) . .
C7 C8 C2 119.5(10) . .
C7 C8 H8A 120.2 . .
C2 C8 H8A 120.2 . .
O5 C9 C10 108.0(12) . .
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 . .
C15 C10 C11 119.8(15) . .
C15 C10 C9 128.0(15) . .
C11 C10 C9 112.3(16) . .
C10 C11 C12 115.4(19) . .
C10 C11 H11A 122.3 . .
C12 C11 H11A 122.3 . .
C13 C12 C11 121.2(16) . .
C13 C12 H12A 119.4 . .
C11 C12 H12A 119.4 . .
C14 C13 C12 118.3(14) . .
C14 C13 C16 120.3(16) . .
C12 C13 C16 120.7(13) . .
C13 C14 C15 120.9(19) . .
C13 C14 H14A 119.6 . .
C15 C14 H14A 119.6 . .
C10 C15 C14 123.5(17) . .
C10 C15 H15A 118.3 . .
C14 C15 H15A 118.3 . .
O6 C16 C13 108.3(13) . .
O6 C16 H16A 110.0 . .
C13 C16 H16A 110.0 . .
O6 C16 H16B 110.0 . .
C13 C16 H16B 110.0 . .
H16A C16 H16B 108.4 . .
O6 C17 C24 123.3(10) . .
O6 C17 C18 115.8(9) . .
C24 C17 C18 121.0(10) . .
C17 C18 C19 119.2(10) . .
C17 C18 H18A 120.4 . .
C19 C18 H18A 120.4 . .
C21 C19 C18 120.2(9) . .
C21 C19 C20 119.3(9) . .
C18 C19 C20 120.3(9) . .
O8 C20 O7 122.6(10) . .
O8 C20 C19 121.8(9) . .
O7 C20 C19 115.5(10) . .
C19 C21 C22 119.9(9) . .
C19 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C21 C22 C24 120.7(10) . .
C21 C22 C23 118.8(9) . .
C24 C22 C23 120.5(9) . .
O9 C23 O10 125.3(10) . .
O9 C23 C22 121.9(9) . .
O10 C23 C22 112.7(9) . .
C22 C24 C17 119.0(10) . .
C22 C24 H24A 120.5 . .
C17 C24 H24A 120.5 . .
O11 C25 O12 121.4(10) . .
O11 C25 C26 121.1(10) . .
O12 C25 C26 117.4(9) . .
C27 C26 C32 118.0(9) . .
C27 C26 C25 120.7(9) . .
C32 C26 C25 121.1(9) . .
C28 C27 C26 121.3(9) . .
C28 C27 H27A 119.3 . .
C26 C27 H27A 119.3 . .
C27 C28 C30 120.5(9) . .
C27 C28 C29 121.3(9) . .
C30 C28 C29 118.2(9) . .
O14 C29 O13 125.0(9) . .
O14 C29 C28 120.3(9) . .
O13 C29 C28 114.7(9) . .
C28 C30 C31 119.1(10) . .
C28 C30 H30A 120.5 . .
C31 C30 H30A 120.5 . .
C32 C31 O15 118.0(10) . .
C32 C31 C30 120.3(10) . .
O15 C31 C30 121.7(10) . .
C31 C32 C26 120.8(9) . .
C31 C32 H32A 119.6 . .
C26 C32 H32A 119.6 . .
O15 C33 C34 110.4(11) . .
O15 C33 H33A 109.6 . .
C34 C33 H33A 109.6 . .
O15 C33 H33B 109.6 . .
C34 C33 H33B 109.6 . .
H33A C33 H33B 108.1 . .
C35 C34 C36 123.1(11) . .
C35 C34 C33 120.7(11) . .
C36 C34 C33 116.1(11) . .
C34 C35 C36 117.0(12) . 2_667
C34 C35 H35A 121.5 . .
C36 C35 H35A 121.5 2_667 .
C34 C36 C35 119.9(12) . 2_667
C34 C36 H36A 120.1 . .
C35 C36 H36A 120.1 2_667 .
C1 O2 Zn1 105.8(7) . .
C5 O4 H4A 109.5 . .
C7 O5 C9 120.1(9) . .
C17 O6 C16 117.0(10) . .
C20 O7 H7A 109.5 . .
C23 O10 H10A 109.5 . .
C25 O12 Zn1 105.3(7) . .
C29 O13 H13A 109.5 . .
C33 O15 C31 124.1(10) . .
O2 Zn1 O12 94.0(3) . .
O2 Zn1 O16 129.5(3) . .
O12 Zn1 O16 128.2(3) . .
O2 Zn1 N1 100.0(4) . .
O12 Zn1 N1 102.0(4) . .
O16 Zn1 N1 97.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.222(12) .
C1 O1 1.280(13) .
C1 C2 1.519(14) .
C2 C3 1.323(13) .
C2 C8 1.384(13) .
C3 C4 1.389(12) .
C3 H3A 0.9300 .
C4 C6 1.333(13) .
C4 C5 1.511(14) .
C5 O3 1.246(12) .
C5 O4 1.317(12) .
C6 C7 1.387(14) .
C6 H6A 0.9300 .
C7 C8 1.366(13) .
C7 O5 1.386(13) .
C8 H8A 0.9300 .
C9 O5 1.412(16) .
C9 C10 1.53(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.24(2) .
C10 C11 1.40(2) .
C11 C12 1.45(2) .
C11 H11A 0.9300 .
C12 C13 1.32(2) .
C12 H12A 0.9300 .
C13 C14 1.310(19) .
C13 C16 1.585(19) .
C14 C15 1.38(2) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 O6 1.41(2) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 O6 1.384(13) .
C17 C24 1.388(14) .
C17 C18 1.389(15) .
C18 C19 1.396(14) .
C18 H18A 0.9300 .
C19 C21 1.382(13) .
C19 C20 1.476(14) .
C20 O8 1.228(13) .
C20 O7 1.293(12) .
C21 C22 1.385(14) .
C21 H21A 0.9300 .
C22 C24 1.391(13) .
C22 C23 1.483(15) .
C23 O9 1.202(12) .
C23 O10 1.310(12) .
C24 H24A 0.9300 .
C25 O11 1.246(13) .
C25 O12 1.257(12) .
C25 C26 1.486(14) .
C26 C27 1.406(12) .
C26 C32 1.405(14) .
C27 C28 1.343(13) .
C27 H27A 0.9300 .
C28 C30 1.400(14) .
C28 C29 1.496(13) .
C29 O14 1.229(12) .
C29 O13 1.280(11) .
C30 C31 1.400(14) .
C30 H30A 0.9300 .
C31 C32 1.358(14) .
C31 O15 1.368(12) .
C32 H32A 0.9300 .
C33 O15 1.356(15) .
C33 C34 1.551(16) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.321(17) .
C34 C36 1.377(16) .
C35 C36 1.427(18) 2_667
C35 H35A 0.9300 .
C36 C35 1.427(18) 2_667
C36 H36A 0.9300 .
O2 Zn1 2.006(8) .
O4 H4A 0.8200 .
O7 H7A 0.8200 .
O10 H10A 0.8200 .
O12 Zn1 2.007(8) .
O13 H13A 0.8200 .
O16 Zn1 2.026(7) .
Zn1 N1 2.104(15) .
C100 C100 2.05(6) 2_456
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 -4.9(17) .
O1 C1 C2 C3 170.9(12) .
O2 C1 C2 C8 174.1(11) .
O1 C1 C2 C8 -10.0(18) .
C8 C2 C3 C4 2.0(17) .
C1 C2 C3 C4 -179.0(10) .
C2 C3 C4 C6 -1.2(17) .
C2 C3 C4 C5 -179.0(10) .
C6 C4 C5 O3 -175.7(11) .
C3 C4 C5 O3 2.1(17) .
C6 C4 C5 O4 3.1(16) .
C3 C4 C5 O4 -179.1(10) .
C3 C4 C6 C7 1.8(17) .
C5 C4 C6 C7 179.5(11) .
C4 C6 C7 C8 -3.1(18) .
C4 C6 C7 O5 -179.1(11) .
C6 C7 C8 C2 3.8(18) .
O5 C7 C8 C2 179.6(11) .
C3 C2 C8 C7 -3.3(18) .
C1 C2 C8 C7 177.7(11) .
O5 C9 C10 C15 -116.9(19) .
O5 C9 C10 C11 64(2) .
C15 C10 C11 C12 0(3) .
C9 C10 C11 C12 179.4(17) .
C10 C11 C12 C13 -9(3) .
C11 C12 C13 C14 11(3) .
C11 C12 C13 C16 -177.6(19) .
C12 C13 C14 C15 -6(3) .
C16 C13 C14 C15 -177.3(16) .
C11 C10 C15 C14 5(3) .
C9 C10 C15 C14 -174.2(16) .
C13 C14 C15 C10 -2(3) .
C14 C13 C16 O6 108.4(17) .
C12 C13 C16 O6 -62(2) .
O6 C17 C18 C19 179.0(11) .
C24 C17 C18 C19 -1.5(19) .
C17 C18 C19 C21 4.3(17) .
C17 C18 C19 C20 178.7(11) .
C21 C19 C20 O8 -4.3(18) .
C18 C19 C20 O8 -178.8(11) .
C21 C19 C20 O7 178.9(10) .
C18 C19 C20 O7 4.4(17) .
C18 C19 C21 C22 -4.5(17) .
C20 C19 C21 C22 -179.0(10) .
C19 C21 C22 C24 1.9(17) .
C19 C21 C22 C23 179.3(10) .
C21 C22 C23 O9 4.3(17) .
C24 C22 C23 O9 -178.2(11) .
C21 C22 C23 O10 -179.7(10) .
C24 C22 C23 O10 -2.3(16) .
C21 C22 C24 C17 0.9(17) .
C23 C22 C24 C17 -176.5(11) .
O6 C17 C24 C22 178.4(11) .
C18 C17 C24 C22 -1.1(18) .
O11 C25 C26 C27 -171.8(11) .
O12 C25 C26 C27 12.7(16) .
O11 C25 C26 C32 2.8(18) .
O12 C25 C26 C32 -172.8(10) .
C32 C26 C27 C28 1.3(16) .
C25 C26 C27 C28 176.0(10) .
C26 C27 C28 C30 -1.1(17) .
C26 C27 C28 C29 177.6(10) .
C27 C28 C29 O14 178.3(11) .
C30 C28 C29 O14 -2.9(18) .
C27 C28 C29 O13 -3.4(16) .
C30 C28 C29 O13 175.3(11) .
C27 C28 C30 C31 1.0(19) .
C29 C28 C30 C31 -177.8(11) .
C28 C30 C31 C32 -1(2) .
C28 C30 C31 O15 179.4(12) .
O15 C31 C32 C26 -179.2(11) .
C30 C31 C32 C26 1.3(19) .
C27 C26 C32 C31 -1.3(17) .
C25 C26 C32 C31 -176.0(11) .
O15 C33 C34 C35 -21(2) .
O15 C33 C34 C36 155.9(14) .
C36 C34 C35 C36 3(3) 2_667
C33 C34 C35 C36 179.1(15) 2_667
C35 C34 C36 C35 -3(3) 2_667
C33 C34 C36 C35 -179.4(15) 2_667
O1 C1 O2 Zn1 -1.8(15) .
C2 C1 O2 Zn1 174.0(8) .
C8 C7 O5 C9 6(2) .
C6 C7 O5 C9 -178.6(15) .
C10 C9 O5 C7 159.9(13) .
C24 C17 O6 C16 14(2) .
C18 C17 O6 C16 -166.1(14) .
C13 C16 O6 C17 162.0(12) .
O11 C25 O12 Zn1 6.1(15) .
C26 C25 O12 Zn1 -178.4(8) .
C34 C33 O15 C31 158.2(12) .
C32 C31 O15 C33 -163.1(13) .
C30 C31 O15 C33 17(2) .
C1 O2 Zn1 O12 180.0(8) .
C1 O2 Zn1 O16 30.6(10) .
C1 O2 Zn1 N1 -77.1(9) .
C25 O12 Zn1 O2 177.6(8) .
C25 O12 Zn1 O16 -32.5(9) .
C25 O12 Zn1 N1 76.5(8) .
