#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:20:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179477 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/74/4337426.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_4337426
loop_
_publ_author_name
'Bon, Volodymyr'
'Senkovska, Irena'
'Wallacher, Dirk'
'Többens, Daniel M'
'Zizak, Ivo'
'Feyerherm, Ralf'
'Mueller, Uwe'
'Kaskel, Stefan'
_publ_section_title
;
 In Situ Observation of Gating Phenomena in the Flexible Porous
 Coordination Polymer Zn2(BPnDC)2(bpy) (SNU-9) in a Combined Diffraction
 and Gas Adsorption Experiment.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1513
_journal_page_last               1520
_journal_paper_doi               10.1021/ic4024844
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C40 H24 N2 O10 Zn2'
_chemical_formula_weight         823.35
_chemical_name_common            SNU-9
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.50(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.230(5)
_cell_length_b                   10.680(2)
_cell_length_c                   27.040(5)
_cell_measurement_reflns_used    624
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.43
_cell_measurement_theta_min      3.98
_cell_volume                     7334(3)
_computing_cell_refinement       'mosflm 1.0.5'
_computing_data_collection       'marCCD 1994-2002'
_computing_data_reduction        scala
_computing_molecular_graphics    'Diamond 3.1'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.854
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_device_type  'MX-225 CCD'
_diffrn_measurement_method       'Δφ scans'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.88561
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            22385
_diffrn_reflns_theta_full        36.51
_diffrn_reflns_theta_max         36.51
_diffrn_reflns_theta_min         2.58
_diffrn_source                   synchrotron
_diffrn_source_type              'BESSY BL MX-14.2'
_exptl_absorpt_coefficient_mu    2.466
_exptl_absorpt_correction_T_max  0.8272
_exptl_absorpt_correction_T_min  0.7087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   scala
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3344
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.950
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       0.0074(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   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         7949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0847P)²+6.0495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1340
_refine_ls_wR_factor_ref         0.1369
_reflns_number_gt                7338
_reflns_number_total             7949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4024844_si_002.cif
_cod_data_source_block           SNU9(narrow_pore)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        7334(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4337426
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.387208(9) 0.28124(3) 1.076818(10) 0.03949(13) Uani 1 1 d .
Zn2 Zn 0.497616(9) 0.15886(3) 1.074435(10) 0.03815(13) Uani 1 1 d .
N1 N 0.32736(7) 0.4080(2) 1.07139(8) 0.0454(5) Uani 1 1 d .
N2 N 0.07357(7) 0.6276(2) 1.07408(7) 0.0374(4) Uani 1 1 d .
O1 O 0.46444(6) 0.31683(19) 1.09494(7) 0.0407(4) Uani 1 1 d .
O2 O 0.46518(7) 0.1911(2) 1.00068(6) 0.0498(5) Uani 1 1 d .
O3 O 0.38442(7) 0.2554(2) 1.00278(7) 0.0482(5) Uani 1 1 d .
O4 O 0.32533(9) 0.3330(2) 0.73842(7) 0.0603(6) Uani 1 1 d .
O5 O 0.45681(8) -0.0037(2) 0.58674(7) 0.0584(5) Uani 1 1 d .
O6 O 0.50530(8) -0.0930(2) 0.65528(8) 0.0517(5) Uani 1 1 d .
O7 O 0.44808(8) 0.4294(3) 1.15808(10) 0.0739(8) Uani 1 1 d .
O8 O 0.71857(8) 0.3841(3) 1.27624(8) 0.0621(6) Uani 1 1 d .
O9 O 0.83646(11) 0.6051(4) 1.07410(9) 0.0861(9) Uani 1 1 d .
O10 O 0.87572(8) 0.7026(3) 1.14266(9) 0.0630(6) Uani 1 1 d .
C1 C 0.41931(9) 0.2278(3) 0.98008(9) 0.0391(5) Uani 1 1 d .
C2 C 0.40450(9) 0.2387(3) 0.92268(9) 0.0374(5) Uani 1 1 d .
C3 C 0.35207(9) 0.2527(3) 0.89580(9) 0.0414(5) Uani 1 1 d .
H3 H 0.3259 0.2573 0.9135 0.050 Uiso 1 1 calc R
C4 C 0.33858(9) 0.2597(3) 0.84318(9) 0.0425(5) Uani 1 1 d .
H4 H 0.3034 0.2678 0.8255 0.051 Uiso 1 1 calc R
C5 C 0.37769(10) 0.2545(3) 0.81641(9) 0.0400(5) Uani 1 1 d .
C6 C 0.36224(10) 0.2674(3) 0.75918(9) 0.0428(6) Uani 1 1 d .
C7 C 0.39320(10) 0.1969(3) 0.72868(9) 0.0424(5) Uani 1 1 d .
C8 C 0.41550(10) 0.0816(3) 0.74447(9) 0.0423(5) Uani 1 1 d .
H8 H 0.4134 0.0493 0.7758 0.051 Uiso 1 1 calc R
C9 C 0.44087(9) 0.0142(3) 0.71416(9) 0.0425(5) Uani 1 1 d .
H9 H 0.4556 -0.0633 0.7251 0.051 Uiso 1 1 calc R
C10 C 0.44443(9) 0.0617(3) 0.66734(9) 0.0415(5) Uani 1 1 d .
C11 C 0.47105(9) -0.0161(3) 0.63495(10) 0.0450(6) Uani 1 1 d .
C12 C 0.42179(13) 0.1768(3) 0.65114(11) 0.0561(7) Uani 1 1 d .
H12 H 0.4237 0.2089 0.6197 0.067 Uiso 1 1 calc R
C13 C 0.39652(13) 0.2438(3) 0.68158(11) 0.0562(7) Uani 1 1 d .
H13 H 0.3815 0.3210 0.6705 0.067 Uiso 1 1 calc R
C14 C 0.43020(10) 0.2420(3) 0.84335(10) 0.0473(6) Uani 1 1 d .
H14 H 0.4564 0.2394 0.8257 0.057 Uiso 1 1 calc R
C15 C 0.44361(9) 0.2333(3) 0.89601(9) 0.0464(6) Uani 1 1 d .
H15 H 0.4787 0.2239 0.9137 0.056 Uiso 1 1 calc R
C16 C 0.47933(9) 0.3802(3) 1.13803(10) 0.0449(6) Uani 1 1 d .
C17 C 0.53751(9) 0.3869(3) 1.16067(10) 0.0422(5) Uani 1 1 d .
C18 C 0.55741(10) 0.3640(4) 1.21264(11) 0.0559(7) Uani 1 1 d .
H18 H 0.5344 0.3459 1.2329 0.067 Uiso 1 1 calc R
C19 C 0.61109(10) 0.3679(3) 1.23440(11) 0.0517(7) Uani 1 1 d .
H19 H 0.6241 0.3508 1.2690 0.062 Uiso 1 1 calc R
C20 C 0.64576(9) 0.3975(3) 1.20430(10) 0.0414(5) Uani 1 1 d .
C21 C 0.70307(9) 0.4056(3) 1.23081(10) 0.0441(6) Uani 1 1 d .
C22 C 0.74170(8) 0.4489(3) 1.20168(10) 0.0421(5) Uani 1 1 d .
C23 C 0.77416(9) 0.5474(3) 1.22267(10) 0.0458(6) Uani 1 1 d .
H23 H 0.7729 0.5795 1.2543 0.055 Uiso 1 1 calc R
C24 C 0.80854(10) 0.5986(3) 1.19679(11) 0.0478(6) Uani 1 1 d .
H24 H 0.8306 0.6641 1.2113 0.057 Uiso 1 1 calc R
C25 C 0.81014(9) 0.5529(3) 1.14959(10) 0.0473(6) Uani 1 1 d .
C26 C 0.84322(10) 0.6225(4) 1.12040(12) 0.0592(8) Uani 1 1 d .
C27 C 0.77984(11) 0.4514(4) 1.12942(12) 0.0610(8) Uani 1 1 d .
H27 H 0.7823 0.4179 1.0983 0.073 Uiso 1 1 calc R
C28 C 0.74547(11) 0.3984(3) 1.15532(12) 0.0573(8) Uani 1 1 d .
H28 H 0.7251 0.3294 1.1417 0.069 Uiso 1 1 calc R
C29 C 0.62561(9) 0.4246(3) 1.15301(10) 0.0445(6) Uani 1 1 d .
H29 H 0.6483 0.4479 1.1331 0.053 Uiso 1 1 calc R
C30 C 0.57166(9) 0.4171(3) 1.13097(10) 0.0449(6) Uani 1 1 d .
H30 H 0.5586 0.4325 1.0962 0.054 Uiso 1 1 calc R
C31 C 0.28719(11) 0.4056(4) 1.02990(11) 0.0669(10) Uani 1 1 d .
H31 H 0.2922 0.3685 1.0004 0.080 Uiso 1 1 calc R
C32 C 0.23823(11) 0.4559(4) 1.02893(11) 0.0682(11) Uani 1 1 d .
H32 H 0.2112 0.4523 0.9992 0.082 Uiso 1 1 calc R
C33 C 0.22975(8) 0.5114(3) 1.07251(9) 0.0412(5) Uani 1 1 d .
C34 C 0.27205(10) 0.5183(3) 1.11482(10) 0.0516(7) Uani 1 1 d .
H34 H 0.2686 0.5586 1.1443 0.062 Uiso 1 1 calc R
C35 C 0.31965(9) 0.4647(3) 1.11297(11) 0.0510(7) Uani 1 1 d .
H35 H 0.3475 0.4683 1.1420 0.061 Uiso 1 1 calc R
C36 C 0.17589(8) 0.5567(3) 1.07307(9) 0.0392(5) Uani 1 1 d .
C37 C 0.13723(9) 0.5751(3) 1.02773(9) 0.0482(7) Uani 1 1 d .
H37 H 0.1451 0.5639 0.9964 0.058 Uiso 1 1 calc R
C38 C 0.08708(9) 0.6104(3) 1.02980(9) 0.0458(6) Uani 1 1 d .
H38 H 0.0617 0.6226 0.9993 0.055 Uiso 1 1 calc R
C39 C 0.11048(9) 0.6089(3) 1.11761(9) 0.0413(5) Uani 1 1 d .
H39 H 0.1014 0.6199 1.1484 0.050 Uiso 1 1 calc R
C40 C 0.16169(9) 0.5739(3) 1.11868(9) 0.0425(6) Uani 1 1 d .
H40 H 0.1863 0.5620 1.1497 0.051 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 0.0060 0.0030 '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 0.0100 0.0050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0180 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.0350 2.0980 '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
O1 Zn1 O3 93.01(8) . .
O1 Zn1 N1 127.09(9) . .
O3 Zn1 N1 100.58(9) . .
O1 Zn1 O10 102.97(8) . 3_445
O3 Zn1 O10 146.25(11) . 3_445
N1 Zn1 O10 93.23(9) . 3_445
O1 Zn1 O9 135.08(10) . 3_445
O3 Zn1 O9 88.82(9) . 3_445
N1 Zn1 O9 96.41(11) . 3_445
O10 Zn1 O9 58.92(10) 3_445 3_445
O1 Zn1 C26 124.86(8) . 3_445
O3 Zn1 C26 118.10(11) . 3_445
N1 Zn1 C26 92.64(10) . 3_445
O10 Zn1 C26 29.81(11) 3_445 3_445
O9 Zn1 C26 29.37(10) 3_445 3_445
O2 Zn2 N2 101.42(8) . 3_545
O2 Zn2 O1 91.42(8) . .
N2 Zn2 O1 128.78(8) 3_545 .
O2 Zn2 O5 101.14(9) . 6_556
N2 Zn2 O5 115.05(10) 3_545 6_556
O1 Zn2 O5 110.49(9) . 6_556
O2 Zn2 O6 159.32(8) . 6_556
N2 Zn2 O6 95.97(8) 3_545 6_556
O1 Zn2 O6 86.28(8) . 6_556
O5 Zn2 O6 60.87(8) 6_556 6_556
O2 Zn2 C11 130.65(9) . 6_556
N2 Zn2 C11 110.12(8) 3_545 6_556
O1 Zn2 C11 96.93(8) . 6_556
O5 Zn2 C11 31.01(9) 6_556 6_556
O6 Zn2 C11 30.06(9) 6_556 6_556
C31 N1 C35 117.6(2) . .
C31 N1 Zn1 118.5(2) . .
C35 N1 Zn1 120.88(18) . .
C39 N2 C38 117.97(19) . .
C39 N2 Zn2 121.12(15) . 3_455
C38 N2 Zn2 120.45(15) . 3_455
C16 O1 Zn1 111.84(14) . .
C16 O1 Zn2 127.79(16) . .
Zn1 O1 Zn2 104.57(9) . .
C1 O2 Zn2 128.28(16) . .
C1 O3 Zn1 132.11(16) . .
C11 O5 Zn2 92.93(19) . 6
C11 O6 Zn2 84.14(16) . 6
C26 O9 Zn1 84.8(3) . 3
C26 O10 Zn1 95.3(2) . 3
O2 C1 O3 126.2(2) . .
O2 C1 C2 116.9(2) . .
O3 C1 C2 116.9(2) . .
C3 C2 C15 119.5(2) . .
C3 C2 C1 120.8(2) . .
C15 C2 C1 119.7(2) . .
C4 C3 C2 120.6(2) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 120.0(2) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C14 C5 C4 119.4(2) . .
C14 C5 C6 121.5(2) . .
C4 C5 C6 119.1(2) . .
O4 C6 C7 121.0(2) . .
O4 C6 C5 120.5(2) . .
C7 C6 C5 118.5(2) . .
C8 C7 C13 118.9(2) . .
C8 C7 C6 121.5(2) . .
C13 C7 C6 119.4(3) . .
C9 C8 C7 120.7(2) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C8 C9 C10 120.2(3) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C12 C10 C9 119.4(2) . .
C12 C10 C11 122.1(2) . .
C9 C10 C11 118.5(3) . .
O6 C11 O5 121.2(2) . .
O6 C11 C10 120.0(2) . .
O5 C11 C10 118.8(3) . .
O6 C11 Zn2 65.80(15) . 6
O5 C11 Zn2 56.06(14) . 6
C10 C11 Zn2 169.00(17) . 6
C13 C12 C10 120.2(3) . .
C13 C12 H12 119.9 . .
C10 C12 H12 119.9 . .
C12 C13 C7 120.6(3) . .
C12 C13 H13 119.7 . .
C7 C13 H13 119.7 . .
C15 C14 C5 120.5(2) . .
C15 C14 H14 119.7 . .
C5 C14 H14 119.7 . .
C14 C15 C2 120.0(2) . .
C14 C15 H15 120.0 . .
C2 C15 H15 120.0 . .
O7 C16 O1 122.3(2) . .
O7 C16 C17 122.1(3) . .
O1 C16 C17 115.6(2) . .
C30 C17 C18 119.6(2) . .
C30 C17 C16 121.1(2) . .
C18 C17 C16 119.4(2) . .
C19 C18 C17 120.5(2) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C20 120.0(3) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C29 C20 C19 119.3(2) . .
C29 C20 C21 123.6(2) . .
C19 C20 C21 117.1(2) . .
O8 C21 C20 121.0(2) . .
O8 C21 C22 119.3(2) . .
C20 C21 C22 119.6(2) . .
C23 C22 C28 119.3(2) . .
C23 C22 C21 116.5(2) . .
C28 C22 C21 124.2(3) . .
C22 C23 C24 120.3(2) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C25 C24 C23 120.2(3) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C27 C25 C24 119.9(3) . .
C27 C25 C26 122.2(3) . .
C24 C25 C26 117.7(3) . .
O9 C26 O10 119.9(3) . .
O9 C26 C25 120.1(3) . .
O10 C26 C25 119.9(3) . .
O9 C26 Zn1 65.8(2) . 3
O10 C26 Zn1 54.88(16) . 3
C25 C26 Zn1 166.8(3) . 3
C25 C27 C28 120.3(3) . .
C25 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C22 C28 C27 119.8(3) . .
C22 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C20 C29 C30 120.5(2) . .
C20 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C17 C30 C29 120.1(2) . .
C17 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
N1 C31 C32 122.8(3) . .
N1 C31 H31 118.6 . .
C32 C31 H31 118.6 . .
C31 C32 C33 119.7(3) . .
C31 C32 H32 120.2 . .
C33 C32 H32 120.2 . .
C34 C33 C32 117.4(2) . .
C34 C33 C36 122.6(2) . .
C32 C33 C36 120.0(2) . .
C33 C34 C35 119.5(2) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
N1 C35 C34 123.0(2) . .
N1 C35 H35 118.5 . .
C34 C35 H35 118.5 . .
C40 C36 C37 117.7(2) . .
C40 C36 C33 121.1(2) . .
C37 C36 C33 121.1(2) . .
C38 C37 C36 119.5(2) . .
C38 C37 H37 120.3 . .
C36 C37 H37 120.3 . .
N2 C38 C37 122.6(2) . .
N2 C38 H38 118.7 . .
C37 C38 H38 118.7 . .
N2 C39 C40 122.8(2) . .
N2 C39 H39 118.6 . .
C40 C39 H39 118.6 . .
C36 C40 C39 119.4(2) . .
C36 C40 H40 120.3 . .
C39 C40 H40 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.9979(17) .
Zn1 O3 2.0041(18) .
Zn1 N1 2.050(2) .
Zn1 O10 2.058(2) 3_445
Zn1 O9 2.295(3) 3_445
Zn1 C26 2.505(3) 3_445
Zn2 O2 1.9926(18) .
Zn2 N2 2.0225(18) 3_545
Zn2 O1 2.0378(19) .
Zn2 O5 2.045(2) 6_556
Zn2 O6 2.257(2) 6_556
Zn2 C11 2.461(3) 6_556
N1 C31 1.333(4) .
N1 C35 1.336(3) .
N2 C39 1.339(3) .
N2 C38 1.343(3) .
N2 Zn2 2.0223(18) 3_455
O1 C16 1.319(3) .
O2 C1 1.255(3) .
O3 C1 1.258(3) .
O4 C6 1.213(3) .
O5 C11 1.270(3) .
O5 Zn2 2.045(2) 6
O6 C11 1.239(4) .
O6 Zn2 2.257(2) 6
O7 C16 1.211(3) .
O8 C21 1.215(3) .
O9 C26 1.234(4) .
O9 Zn1 2.295(3) 3
O10 C26 1.250(5) .
O10 Zn1 2.058(2) 3
C1 C2 1.507(3) .
C2 C3 1.393(3) .
C2 C15 1.395(3) .
C3 C4 1.380(3) .
C3 H3 0.9300 .
C4 C5 1.397(3) .
C4 H4 0.9300 .
C5 C14 1.394(3) .
C5 C6 1.505(3) .
C6 C7 1.497(3) .
C7 C8 1.384(4) .
C7 C13 1.391(4) .
C8 C9 1.381(3) .
C8 H8 0.9300 .
C9 C10 1.389(4) .
C9 H9 0.9300 .
C10 C12 1.388(4) .
C10 C11 1.501(3) .
C11 Zn2 2.462(3) 6
C12 C13 1.379(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.382(3) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.497(3) .
C17 C30 1.383(3) .
C17 C18 1.393(4) .
C18 C19 1.384(4) .
C18 H18 0.9300 .
C19 C20 1.400(3) .
C19 H19 0.9300 .
C20 C29 1.385(4) .
C20 C21 1.497(3) .
C21 C22 1.504(3) .
C22 C23 1.383(4) .
C22 C28 1.391(4) .
C23 C24 1.385(4) .
C23 H23 0.9300 .
C24 C25 1.377(4) .
C24 H24 0.9300 .
C25 C27 1.374(5) .
C25 C26 1.507(4) .
C26 Zn1 2.505(3) 3
C27 C28 1.393(4) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.393(3) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.386(4) .
C31 H31 0.9300 .
C32 C33 1.386(4) .
C32 H32 0.9300 .
C33 C34 1.382(3) .
C33 C36 1.497(3) .
C34 C35 1.386(3) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C40 1.387(3) .
C36 C37 1.396(3) .
C37 C38 1.383(3) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C40 1.388(3) .
C39 H39 0.9300 .
C40 H40 0.9300 .
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
O1 Zn1 N1 C31 131.2(3) . .
O3 Zn1 N1 C31 29.2(3) . .
O10 Zn1 N1 C31 -119.9(3) 3_445 .
O9 Zn1 N1 C31 -60.8(3) 3_445 .
C26 Zn1 N1 C31 -90.0(3) 3_445 .
O1 Zn1 N1 C35 -69.1(3) . .
O3 Zn1 N1 C35 -171.1(2) . .
O10 Zn1 N1 C35 39.8(2) 3_445 .
O9 Zn1 N1 C35 98.9(2) 3_445 .
C26 Zn1 N1 C35 69.7(2) 3_445 .
O3 Zn1 O1 C16 158.47(19) . .
N1 Zn1 O1 C16 52.8(2) . .
O10 Zn1 O1 C16 -51.5(2) 3_445 .
O9 Zn1 O1 C16 -110.2(2) 3_445 .
C26 Zn1 O1 C16 -73.8(2) 3_445 .
O3 Zn1 O1 Zn2 -59.69(9) . .
N1 Zn1 O1 Zn2 -165.36(8) . .
O10 Zn1 O1 Zn2 90.36(10) 3_445 .
O9 Zn1 O1 Zn2 31.65(14) 3_445 .
C26 Zn1 O1 Zn2 67.99(14) 3_445 .
O2 Zn2 O1 C16 -159.1(2) . .
N2 Zn2 O1 C16 -53.2(2) 3_545 .
O5 Zn2 O1 C16 98.4(2) 6_556 .
O6 Zn2 O1 C16 41.5(2) 6_556 .
C11 Zn2 O1 C16 69.6(2) 6_556 .
O2 Zn2 O1 Zn1 67.42(9) . .
N2 Zn2 O1 Zn1 173.32(8) 3_545 .
O5 Zn2 O1 Zn1 -35.03(10) 6_556 .
O6 Zn2 O1 Zn1 -92.00(9) 6_556 .
C11 Zn2 O1 Zn1 -63.84(9) 6_556 .
N2 Zn2 O2 C1 -172.4(3) 3_545 .
O1 Zn2 O2 C1 -42.3(3) . .
O5 Zn2 O2 C1 68.9(3) 6_556 .
O6 Zn2 O2 C1 40.9(4) 6_556 .
C11 Zn2 O2 C1 58.1(3) 6_556 .
O1 Zn1 O3 C1 21.8(3) . .
N1 Zn1 O3 C1 150.4(3) . .
O10 Zn1 O3 C1 -97.1(3) 3_445 .
O9 Zn1 O3 C1 -113.3(3) 3_445 .
C26 Zn1 O3 C1 -110.8(3) 3_445 .
Zn2 O2 C1 O3 2.2(5) . .
Zn2 O2 C1 C2 -177.26(19) . .
Zn1 O3 C1 O2 11.2(5) . .
Zn1 O3 C1 C2 -169.32(19) . .
O2 C1 C2 C3 166.3(3) . .
O3 C1 C2 C3 -13.1(4) . .
O2 C1 C2 C15 -12.9(4) . .
O3 C1 C2 C15 167.6(3) . .
C15 C2 C3 C4 0.8(4) . .
C1 C2 C3 C4 -178.4(3) . .
C2 C3 C4 C5 -0.9(4) . .
C3 C4 C5 C14 0.2(4) . .
C3 C4 C5 C6 -177.6(3) . .
C14 C5 C6 O4 -145.0(3) . .
C4 C5 C6 O4 32.7(4) . .
C14 C5 C6 C7 35.4(4) . .
C4 C5 C6 C7 -146.9(3) . .
O4 C6 C7 C8 -147.2(3) . .
C5 C6 C7 C8 32.4(4) . .
O4 C6 C7 C13 28.1(5) . .
C5 C6 C7 C13 -152.3(3) . .
C13 C7 C8 C9 0.3(4) . .
C6 C7 C8 C9 175.6(2) . .
C7 C8 C9 C10 0.2(4) . .
C8 C9 C10 C12 -0.7(4) . .
C8 C9 C10 C11 -178.4(2) . .
Zn2 O6 C11 O5 -8.6(3) 6 .
Zn2 O6 C11 C10 169.5(2) 6 .
Zn2 O5 C11 O6 9.5(3) 6 .
Zn2 O5 C11 C10 -168.6(2) 6 .
C12 C10 C11 O6 155.3(3) . .
C9 C10 C11 O6 -27.0(4) . .
C12 C10 C11 O5 -26.5(4) . .
C9 C10 C11 O5 151.1(3) . .
C12 C10 C11 Zn2 -85.6(12) . 6
C9 C10 C11 Zn2 92.1(11) . 6
C9 C10 C12 C13 0.7(5) . .
C11 C10 C12 C13 178.3(3) . .
C10 C12 C13 C7 -0.2(5) . .
C8 C7 C13 C12 -0.3(5) . .
C6 C7 C13 C12 -175.7(3) . .
C4 C5 C14 C15 0.7(5) . .
C6 C5 C14 C15 178.4(3) . .
C5 C14 C15 C2 -0.8(5) . .
C3 C2 C15 C14 0.1(5) . .
C1 C2 C15 C14 179.3(3) . .
Zn1 O1 C16 O7 -12.8(4) . .
Zn2 O1 C16 O7 -143.6(3) . .
Zn1 O1 C16 C17 167.09(19) . .
Zn2 O1 C16 C17 36.3(3) . .
O7 C16 C17 C30 -132.9(4) . .
O1 C16 C17 C30 47.2(4) . .
O7 C16 C17 C18 46.2(5) . .
O1 C16 C17 C18 -133.7(3) . .
C30 C17 C18 C19 -1.8(5) . .
C16 C17 C18 C19 179.1(3) . .
C17 C18 C19 C20 1.3(5) . .
C18 C19 C20 C29 1.0(5) . .
C18 C19 C20 C21 177.4(3) . .
C29 C20 C21 O8 178.0(3) . .
C19 C20 C21 O8 1.8(4) . .
C29 C20 C21 C22 1.9(4) . .
C19 C20 C21 C22 -174.2(3) . .
O8 C21 C22 C23 -49.7(4) . .
C20 C21 C22 C23 126.3(3) . .
O8 C21 C22 C28 131.9(3) . .
C20 C21 C22 C28 -52.0(4) . .
C28 C22 C23 C24 2.6(4) . .
C21 C22 C23 C24 -175.8(2) . .
C22 C23 C24 C25 0.9(4) . .
C23 C24 C25 C27 -3.9(5) . .
C23 C24 C25 C26 172.5(3) . .
Zn1 O9 C26 O10 -9.7(3) 3 .
Zn1 O9 C26 C25 166.8(3) 3 .
Zn1 O10 C26 O9 10.8(4) 3 .
Zn1 O10 C26 C25 -165.7(2) 3 .
C27 C25 C26 O9 13.6(5) . .
C24 C25 C26 O9 -162.6(3) . .
C27 C25 C26 O10 -169.9(3) . .
C24 C25 C26 O10 13.9(4) . .
C27 C25 C26 Zn1 127.3(9) . 3
C24 C25 C26 Zn1 -48.9(10) . 3
C24 C25 C27 C28 3.2(5) . .
C26 C25 C27 C28 -172.9(3) . .
C23 C22 C28 C27 -3.2(5) . .
C21 C22 C28 C27 175.1(3) . .
C25 C27 C28 C22 0.3(5) . .
C19 C20 C29 C30 -2.8(5) . .
C21 C20 C29 C30 -178.9(3) . .
C18 C17 C30 C29 0.0(5) . .
C16 C17 C30 C29 179.1(3) . .
C20 C29 C30 C17 2.3(5) . .
C35 N1 C31 C32 -1.7(6) . .
Zn1 N1 C31 C32 158.6(4) . .
N1 C31 C32 C33 -0.1(7) . .
C31 C32 C33 C34 2.6(6) . .
C31 C32 C33 C36 -175.1(4) . .
C32 C33 C34 C35 -3.3(5) . .
C36 C33 C34 C35 174.3(3) . .
C31 N1 C35 C34 1.0(5) . .
Zn1 N1 C35 C34 -158.8(3) . .
C33 C34 C35 N1 1.5(5) . .
C34 C33 C36 C40 -19.0(5) . .
C32 C33 C36 C40 158.6(3) . .
C34 C33 C36 C37 165.3(3) . .
C32 C33 C36 C37 -17.2(5) . .
C40 C36 C37 C38 0.5(5) . .
C33 C36 C37 C38 176.4(3) . .
C39 N2 C38 C37 -0.4(5) . .
Zn2 N2 C38 C37 -172.7(3) 3_455 .
C36 C37 C38 N2 -0.2(5) . .
C38 N2 C39 C40 0.6(4) . .
Zn2 N2 C39 C40 172.8(2) 3_455 .
C37 C36 C40 C39 -0.3(4) . .
C33 C36 C40 C39 -176.3(3) . .
N2 C39 C40 C36 -0.2(5) . .
