# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Yan Qi'
_publ_contact_author_email       CATHLEENQI@MAIL.NANKAI.EDU.CN

_publ_section_title              
;
The first coordination polymer of
1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane with unusual 8-connected
topology
;
loop_
_publ_author_name
'Yan Qi.'
'Yunxia Che.'
'Jimin Zheng.'

# Attachment '1.cif'

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 675615'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H30 N4 O14 Zn3'
_chemical_formula_weight         938.75

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'

_cell_length_a                   22.482(5)
_cell_length_b                   9.5886(19)
_cell_length_c                   18.532(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.14(3)
_cell_angle_gamma                90.00
_cell_volume                     3874.0(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    15182
_cell_measurement_theta_min      3.13
_cell_measurement_theta_max      27.48

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1904
_exptl_absorpt_coefficient_mu    1.915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6949
_exptl_absorpt_correction_T_max  0.8272
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18553
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         27.48
_reflns_number_total             4439
_reflns_number_gt                3811
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_cell_refinement       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_reduction        'CrystalStructure(Rigaku/MSC, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+4.0244P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    ref
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00048(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         4439
_refine_ls_number_parameters     291
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0284
_refine_ls_wR_factor_ref         0.0702
_refine_ls_wR_factor_gt          0.0668
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.28805(10) -0.1357(2) 0.02280(12) 0.0300(4) Uani 1 1 d . . .
C2 C 0.33011(10) -0.0146(2) 0.04859(12) 0.0330(5) Uani 1 1 d . A .
C3 C 0.33936(10) 0.3314(2) 0.15249(11) 0.0308(4) Uani 1 1 d . A .
C4 C 0.34131(10) 0.3908(2) 0.22799(11) 0.0321(4) Uani 1 1 d . . .
C5 C 0.24816(11) -0.1370(2) -0.04679(12) 0.0370(5) Uani 1 1 d . . .
H5 H 0.2469 -0.0615 -0.0786 0.044 Uiso 1 1 calc R . .
C6 C 0.28994(12) -0.2497(2) 0.06949(13) 0.0392(5) Uani 1 1 d . . .
H6 H 0.3170 -0.2499 0.1163 0.047 Uiso 1 1 calc R . .
C7 C 0.39637(10) 0.4180(2) 0.27820(12) 0.0363(5) Uani 1 1 d . . .
H7 H 0.4330 0.3933 0.2667 0.044 Uiso 1 1 calc R . .
C8 C 0.34379(10) 0.5985(2) 0.43258(11) 0.0309(4) Uani 1 1 d . . .
C9 C 0.34312(10) 0.5174(2) 0.36311(11) 0.0318(4) Uani 1 1 d . . .
C10 C 0.39753(10) 0.4814(2) 0.34518(12) 0.0371(5) Uani 1 1 d . . .
H10 H 0.4349 0.5000 0.3785 0.045 Uiso 1 1 calc R . .
C11 C 0.28776(11) 0.4854(3) 0.31431(13) 0.0453(6) Uani 1 1 d . . .
H11 H 0.2511 0.5063 0.3268 0.054 Uiso 1 1 calc R . .
C12 C 0.28684(11) 0.4224(3) 0.24711(13) 0.0453(6) Uani 1 1 d . . .
H12 H 0.2495 0.4010 0.2144 0.054 Uiso 1 1 calc R . .
C13 C 0.52872(13) 0.1799(4) 0.03492(17) 0.0609(8) Uani 1 1 d . A .
H13 H 0.5237 0.2225 -0.0113 0.073 Uiso 1 1 calc R . .
C14 C 0.51043(12) 0.0977(4) 0.13381(17) 0.0628(8) Uani 1 1 d . A .
H14 H 0.4901 0.0703 0.1696 0.075 Uiso 1 1 calc R . .
C15 C 0.61342(16) 0.0164(5) 0.2058(3) 0.0839(11) Uani 1 1 d D . .
C16 C 0.5982(5) -0.1260(10) 0.2177(7) 0.093(4) Uani 0.527(7) 1 d PD A 1
H16C H 0.5959 -0.1811 0.1732 0.112 Uiso 0.527(7) 1 calc PR A 1
H16D H 0.6287 -0.1669 0.2584 0.112 Uiso 0.527(7) 1 calc PR A 1
C17 C 0.58189(13) 0.1329(4) 0.07744(19) 0.0692(9) Uani 1 1 d . . .
H17 H 0.6197 0.1344 0.0655 0.083 Uiso 1 1 calc R A .
C18 C 0.5163(7) -0.2575(10) 0.2369(10) 0.091(2) Uani 0.455(11) 1 d PD . 1
H18A H 0.5001 -0.2907 0.1865 0.109 Uiso 0.455(11) 1 d PRD . 1
H18B H 0.5485 -0.3208 0.2616 0.109 Uiso 0.455(11) 1 d PRD . 1
C16' C 0.6131(6) -0.1353(9) 0.1872(8) 0.094(4) Uani 0.473(7) 1 d PD A 2
H16A H 0.6462 -0.1817 0.2224 0.113 Uiso 0.473(7) 1 calc PR A 2
H16B H 0.6201 -0.1463 0.1379 0.113 Uiso 0.473(7) 1 calc PR A 2
C18' C 0.5476(6) -0.2435(10) 0.2628(5) 0.091(2) Uani 0.545(11) 1 d PD A 2
H18C H 0.5653 -0.1754 0.3007 0.109 Uiso 0.545(11) 1 d PR . 2
H18D H 0.5649 -0.3350 0.2773 0.109 Uiso 0.545(11) 1 d PR . 2
H15A H 0.6513(11) 0.039(4) 0.193(2) 0.107(14) Uiso 1 1 d D . .
H15B H 0.612(2) 0.062(5) 0.2516(16) 0.15(2) Uiso 1 1 d D . .
N1 N 0.48334(9) 0.1555(2) 0.07007(11) 0.0403(4) Uani 1 1 d . . .
N2 N 0.57045(10) 0.0828(3) 0.14120(14) 0.0593(6) Uani 1 1 d . A .
O1 O 0.5415(2) -0.1202(5) 0.2347(3) 0.0760(19) Uani 0.527(7) 1 d PD A 1
O2 O 0.36993(9) -0.02006(19) 0.10666(11) 0.0587(5) Uani 1 1 d . . .
O3 O 0.32388(6) 0.09468(14) 0.00555(8) 0.0295(3) Uani 1 1 d . . .
O4 O 0.39105(7) 0.30688(18) 0.13894(9) 0.0413(4) Uani 1 1 d . . .
O5 O 0.28853(7) 0.31166(17) 0.10912(8) 0.0382(4) Uani 1 1 d . . .
O6 O 0.39392(7) 0.65385(19) 0.46530(9) 0.0442(4) Uani 1 1 d . . .
O7 O 0.29479(7) 0.60816(16) 0.45222(8) 0.0367(4) Uani 1 1 d . . .
O1' O 0.5530(3) -0.2026(6) 0.1895(3) 0.078(2) Uani 0.473(7) 1 d PD A 2
Zn1 Zn 0.396829(10) 0.21499(2) 0.047413(12) 0.02659(8) Uani 1 1 d . . .
Zn2 Zn 0.2500 0.2500 0.0000 0.02467(9) Uani 1 2 d S . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0322(11) 0.0243(10) 0.0331(10) -0.0010(8) 0.0073(9) 0.0002(8)
C2 0.0357(11) 0.0264(10) 0.0363(11) 0.0001(8) 0.0077(10) -0.0005(8)
C3 0.0404(12) 0.0285(10) 0.0242(10) -0.0026(8) 0.0093(9) 0.0005(9)
C4 0.0372(11) 0.0352(11) 0.0240(10) -0.0061(8) 0.0075(9) -0.0015(9)
C5 0.0473(13) 0.0265(11) 0.0334(11) 0.0044(8) 0.0025(10) -0.0018(9)
C6 0.0450(13) 0.0331(12) 0.0331(11) 0.0029(9) -0.0026(10) -0.0028(9)
C7 0.0312(11) 0.0461(13) 0.0318(11) -0.0127(9) 0.0081(9) 0.0027(9)
C8 0.0393(12) 0.0304(11) 0.0231(9) -0.0020(8) 0.0075(9) 0.0047(9)
C9 0.0360(11) 0.0354(11) 0.0237(10) -0.0067(8) 0.0066(9) 0.0019(9)
C10 0.0307(11) 0.0479(13) 0.0303(11) -0.0129(10) 0.0030(9) 0.0008(9)
C11 0.0326(12) 0.0682(17) 0.0364(12) -0.0179(12) 0.0108(10) 0.0028(11)
C12 0.0305(12) 0.0726(17) 0.0305(11) -0.0183(11) 0.0028(10) 0.0000(11)
C13 0.0426(15) 0.093(2) 0.0523(16) 0.0056(16) 0.0211(13) 0.0023(15)
C14 0.0375(14) 0.095(2) 0.0552(17) 0.0212(16) 0.0092(13) 0.0155(15)
C15 0.0445(19) 0.108(3) 0.085(3) 0.000(2) -0.0118(18) 0.024(2)
C16 0.064(7) 0.124(9) 0.081(7) 0.052(6) -0.003(5) 0.025(6)
C17 0.0363(15) 0.104(3) 0.071(2) -0.0186(19) 0.0197(15) 0.0085(15)
C18 0.122(9) 0.052(3) 0.083(7) -0.010(4) -0.005(5) 0.014(4)
C16' 0.048(6) 0.102(8) 0.121(12) 0.018(7) -0.003(6) 0.010(5)
C18' 0.122(9) 0.052(3) 0.083(7) -0.010(4) -0.005(5) 0.014(4)
N1 0.0325(10) 0.0476(12) 0.0416(11) 0.0004(9) 0.0103(9) 0.0060(8)
N2 0.0349(12) 0.0717(16) 0.0671(16) 0.0023(13) 0.0043(11) 0.0131(11)
O1 0.075(3) 0.074(3) 0.070(3) 0.005(2) 0.001(2) 0.015(2)
O2 0.0612(12) 0.0428(10) 0.0543(11) 0.0117(8) -0.0204(9) -0.0164(9)
O3 0.0309(7) 0.0252(7) 0.0324(7) -0.0004(6) 0.0079(6) -0.0023(6)
O4 0.0406(9) 0.0541(10) 0.0302(8) -0.0147(7) 0.0105(7) -0.0028(8)
O5 0.0424(9) 0.0482(9) 0.0217(7) -0.0076(6) 0.0032(7) 0.0022(7)
O6 0.0377(9) 0.0569(11) 0.0368(9) -0.0228(8) 0.0067(7) 0.0000(8)
O7 0.0423(9) 0.0355(8) 0.0373(8) -0.0090(6) 0.0194(7) 0.0002(7)
O1' 0.082(4) 0.070(4) 0.065(3) -0.014(3) -0.015(3) 0.016(3)
Zn1 0.02721(13) 0.03096(14) 0.02114(12) 0.00036(9) 0.00503(9) 0.00097(9)
Zn2 0.02651(17) 0.02912(18) 0.01819(15) 0.00108(12) 0.00509(13) -0.00269(12)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C5 1.379(3) . ?
C1 C6 1.388(3) . ?
C1 C2 1.500(3) . ?
C2 O2 1.221(3) . ?
C2 O3 1.303(3) . ?
C3 O5 1.241(3) . ?
C3 O4 1.270(3) . ?
C3 C4 1.501(3) . ?
C4 C7 1.380(3) . ?
C4 C12 1.389(3) . ?
C5 C6 1.384(3) 7_545 ?
C6 C5 1.384(3) 7_545 ?
C7 C10 1.377(3) . ?
C8 O7 1.245(2) . ?
C8 O6 1.259(3) . ?
C8 C9 1.501(3) . ?
C9 C11 1.383(3) . ?
C9 C10 1.387(3) . ?
C11 C12 1.380(3) . ?
C13 C17 1.339(4) . ?
C13 N1 1.358(3) . ?
C14 N1 1.313(3) . ?
C14 N2 1.330(3) . ?
C15 C16 1.438(8) . ?
C15 N2 1.486(4) . ?
C15 C16' 1.495(8) . ?
C16 O1 1.387(11) . ?
C17 N2 1.357(4) . ?
C18 C18 0.97(3) 2_655 ?
C18 O1 1.437(10) . ?
C16' O1' 1.507(13) . ?
C18' O1' 1.449(10) . ?
N1 Zn1 1.9711(19) . ?
O3 Zn1 2.0003(15) . ?
O3 Zn2 2.2144(14) . ?
O4 Zn1 1.9437(15) . ?
O5 Zn2 2.0817(15) . ?
O6 Zn1 1.9629(15) 6_566 ?
O7 Zn2 2.0208(14) 4 ?
Zn1 O6 1.9629(15) 6_565 ?
Zn2 O7 2.0208(14) 4_545 ?
Zn2 O7 2.0208(14) 6_565 ?
Zn2 O5 2.0817(15) 7 ?
Zn2 O3 2.2144(14) 7 ?

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
C5 C1 C6 119.3(2) . . ?
C5 C1 C2 121.38(19) . . ?
C6 C1 C2 119.3(2) . . ?
O2 C2 O3 121.3(2) . . ?
O2 C2 C1 121.1(2) . . ?
O3 C2 C1 117.51(19) . . ?
O5 C3 O4 125.90(18) . . ?
O5 C3 C4 118.33(18) . . ?
O4 C3 C4 115.77(19) . . ?
C7 C4 C12 119.24(19) . . ?
C7 C4 C3 121.17(19) . . ?
C12 C4 C3 119.6(2) . . ?
C1 C5 C6 120.3(2) . 7_545 ?
C5 C6 C1 120.4(2) 7_545 . ?
C10 C7 C4 120.52(19) . . ?
O7 C8 O6 125.41(18) . . ?
O7 C8 C9 117.72(19) . . ?
O6 C8 C9 116.85(18) . . ?
C11 C9 C10 119.57(19) . . ?
C11 C9 C8 119.67(19) . . ?
C10 C9 C8 120.66(19) . . ?
C7 C10 C9 120.2(2) . . ?
C12 C11 C9 120.0(2) . . ?
C11 C12 C4 120.4(2) . . ?
C17 C13 N1 109.1(3) . . ?
N1 C14 N2 112.0(3) . . ?
C16 C15 N2 113.4(6) . . ?
C16 C15 C16' 28.7(5) . . ?
N2 C15 C16' 105.4(6) . . ?
O1 C16 C15 105.2(7) . . ?
C13 C17 N2 107.5(2) . . ?
C18 C18 O1 111.4(7) 2_655 . ?
C15 C16' O1' 111.4(8) . . ?
C14 N1 C13 105.5(2) . . ?
C14 N1 Zn1 122.05(17) . . ?
C13 N1 Zn1 131.7(2) . . ?
C14 N2 C17 106.0(2) . . ?
C14 N2 C15 124.9(3) . . ?
C17 N2 C15 129.0(3) . . ?
C16 O1 C18 111.2(7) . . ?
C2 O3 Zn1 105.71(13) . . ?
C2 O3 Zn2 122.43(12) . . ?
Zn1 O3 Zn2 99.48(6) . . ?
C3 O4 Zn1 121.08(14) . . ?
C3 O5 Zn2 140.51(14) . . ?
C8 O6 Zn1 119.99(13) . 6_566 ?
C8 O7 Zn2 138.53(14) . 4 ?
C18' O1' C16' 115.0(8) . . ?
O4 Zn1 O6 112.92(8) . 6_565 ?
O4 Zn1 N1 102.59(8) . . ?
O6 Zn1 N1 101.22(8) 6_565 . ?
O4 Zn1 O3 112.13(7) . . ?
O6 Zn1 O3 101.53(7) 6_565 . ?
N1 Zn1 O3 126.07(7) . . ?
O7 Zn2 O7 180.00(8) 4_545 6_565 ?
O7 Zn2 O5 84.21(7) 4_545 . ?
O7 Zn2 O5 95.79(7) 6_565 . ?
O7 Zn2 O5 95.79(7) 4_545 7 ?
O7 Zn2 O5 84.21(7) 6_565 7 ?
O5 Zn2 O5 180.00(4) . 7 ?
O7 Zn2 O3 91.41(6) 4_545 7 ?
O7 Zn2 O3 88.59(6) 6_565 7 ?
O5 Zn2 O3 89.06(6) . 7 ?
O5 Zn2 O3 90.94(6) 7 7 ?
O7 Zn2 O3 88.59(6) 4_545 . ?
O7 Zn2 O3 91.41(6) 6_565 . ?
O5 Zn2 O3 90.94(6) . . ?
O5 Zn2 O3 89.06(6) 7 . ?
O3 Zn2 O3 180.00(5) 7 . ?

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
C5 C1 C2 O2 -171.9(2) . . . . ?
C6 C1 C2 O2 7.2(3) . . . . ?
C5 C1 C2 O3 5.9(3) . . . . ?
C6 C1 C2 O3 -175.08(19) . . . . ?
O5 C3 C4 C7 -178.6(2) . . . . ?
O4 C3 C4 C7 0.9(3) . . . . ?
O5 C3 C4 C12 -0.3(3) . . . . ?
O4 C3 C4 C12 179.2(2) . . . . ?
C6 C1 C5 C6 0.6(4) . . . 7_545 ?
C2 C1 C5 C6 179.6(2) . . . 7_545 ?
C5 C1 C6 C5 -0.6(4) . . . 7_545 ?
C2 C1 C6 C5 -179.6(2) . . . 7_545 ?
C12 C4 C7 C10 -2.9(4) . . . . ?
C3 C4 C7 C10 175.5(2) . . . . ?
O7 C8 C9 C11 15.3(3) . . . . ?
O6 C8 C9 C11 -163.1(2) . . . . ?
O7 C8 C9 C10 -168.4(2) . . . . ?
O6 C8 C9 C10 13.1(3) . . . . ?
C4 C7 C10 C9 0.6(4) . . . . ?
C11 C9 C10 C7 2.0(4) . . . . ?
C8 C9 C10 C7 -174.2(2) . . . . ?
C10 C9 C11 C12 -2.3(4) . . . . ?
C8 C9 C11 C12 174.0(2) . . . . ?
C9 C11 C12 C4 0.0(4) . . . . ?
C7 C4 C12 C11 2.6(4) . . . . ?
C3 C4 C12 C11 -175.8(2) . . . . ?
N2 C15 C16 O1 -63.8(9) . . . . ?
C16' C15 C16 O1 -143(2) . . . . ?
N1 C13 C17 N2 -2.1(4) . . . . ?
C16 C15 C16' O1' 40.6(14) . . . . ?
N2 C15 C16' O1' -70.4(10) . . . . ?
N2 C14 N1 C13 -0.4(4) . . . . ?
N2 C14 N1 Zn1 -171.7(2) . . . . ?
C17 C13 N1 C14 1.6(4) . . . . ?
C17 C13 N1 Zn1 171.6(2) . . . . ?
N1 C14 N2 C17 -0.8(4) . . . . ?
N1 C14 N2 C15 -177.8(3) . . . . ?
C13 C17 N2 C14 1.8(4) . . . . ?
C13 C17 N2 C15 178.6(3) . . . . ?
C16 C15 N2 C14 59.4(7) . . . . ?
C16' C15 N2 C14 88.6(7) . . . . ?
C16 C15 N2 C17 -116.8(6) . . . . ?
C16' C15 N2 C17 -87.6(7) . . . . ?
C15 C16 O1 C18 171.2(9) . . . . ?
C18 C18 O1 C16 162(2) 2_655 . . . ?
O2 C2 O3 Zn1 8.7(3) . . . . ?
C1 C2 O3 Zn1 -169.07(14) . . . . ?
O2 C2 O3 Zn2 -103.7(2) . . . . ?
C1 C2 O3 Zn2 78.5(2) . . . . ?
O5 C3 O4 Zn1 -6.0(3) . . . . ?
C4 C3 O4 Zn1 174.59(14) . . . . ?
O4 C3 O5 Zn2 -4.8(4) . . . . ?
C4 C3 O5 Zn2 174.67(16) . . . . ?
O7 C8 O6 Zn1 -7.6(3) . . . 6_566 ?
C9 C8 O6 Zn1 170.68(14) . . . 6_566 ?
O6 C8 O7 Zn2 34.3(4) . . . 4 ?
C9 C8 O7 Zn2 -144.01(17) . . . 4 ?
C15 C16' O1' C18' -82.4(11) . . . . ?
C3 O4 Zn1 O6 88.17(18) . . . 6_565 ?
C3 O4 Zn1 N1 -163.71(17) . . . . ?
C3 O4 Zn1 O3 -25.80(19) . . . . ?
C14 N1 Zn1 O4 44.1(3) . . . . ?
C13 N1 Zn1 O4 -124.6(3) . . . . ?
C14 N1 Zn1 O6 160.9(2) . . . 6_565 ?
C13 N1 Zn1 O6 -7.8(3) . . . 6_565 ?
C14 N1 Zn1 O3 -85.7(2) . . . . ?
C13 N1 Zn1 O3 105.6(3) . . . . ?
C2 O3 Zn1 O4 -73.61(14) . . . . ?
Zn2 O3 Zn1 O4 54.11(8) . . . . ?
C2 O3 Zn1 O6 165.60(13) . . . 6_565 ?
Zn2 O3 Zn1 O6 -66.69(7) . . . 6_565 ?
C2 O3 Zn1 N1 52.36(15) . . . . ?
Zn2 O3 Zn1 N1 -179.92(7) . . . . ?
C3 O5 Zn2 O7 126.4(2) . . . 4_545 ?
C3 O5 Zn2 O7 -53.6(2) . . . 6_565 ?
C3 O5 Zn2 O5 -62(100) . . . 7 ?
C3 O5 Zn2 O3 -142.1(2) . . . 7 ?
C3 O5 Zn2 O3 37.9(2) . . . . ?
C2 O3 Zn2 O7 -17.36(16) . . . 4_545 ?
Zn1 O3 Zn2 O7 -132.91(7) . . . 4_545 ?
C2 O3 Zn2 O7 162.64(16) . . . 6_565 ?
Zn1 O3 Zn2 O7 47.09(7) . . . 6_565 ?
C2 O3 Zn2 O5 66.82(16) . . . . ?
Zn1 O3 Zn2 O5 -48.73(7) . . . . ?
C2 O3 Zn2 O5 -113.18(16) . . . 7 ?
Zn1 O3 Zn2 O5 131.27(7) . . . 7 ?
C2 O3 Zn2 O3 161(55) . . . 7 ?
Zn1 O3 Zn2 O3 45(55) . . . 7 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.058