# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182

_publ_contact_author_name        'Yuh Hijikata'
_publ_contact_author_address     
;
Department of Synthetic Chemistry and Biological Chemistry
Graduate School of Engineering, Kyoto University
Katsura, Nishikyo-ku
Kyoto
615-8510
JAPAN
;

_publ_contact_author_email       KITAGAWA@SBCHEM.KYOTO-U.AC.JP

_publ_section_title              
;
title
;
_publ_author_address             
;
Department of Synthetic Chemistry and Biological Chemistry
Graduate School of Engineering, Kyoto University
Katsura, Nishikyo-ku
Kyoto
615-8510
JAPAN
;
_publ_author_name                'Yuh Hijikata'

data_CID-1_guest-free
_database_code_depnum_ccdc_archive 'CCDC 812143'
#TrackingRef 'CID-1_guest-free.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H12 N2 O4 Zn'
_chemical_formula_weight         385.67

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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9568(18)
_cell_length_b                   10.087(2)
_cell_length_c                   10.1225(19)
_cell_angle_alpha                78.209(9)
_cell_angle_beta                 73.265(8)
_cell_angle_gamma                79.154(9)
_cell_volume                     849.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    6869
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.82

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             392
_exptl_absorpt_coefficient_mu    1.471
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7575
_exptl_absorpt_correction_T_max  0.7575
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6869
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3714
_reflns_number_gt                3294
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'Sir 97'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0475P)^2^+0.4036P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3714
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0817
_refine_ls_wR_factor_gt          0.0781
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_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
Zn1 Zn 0.56803(3) 0.12933(2) 0.10303(2) 0.01846(9) Uani 1 1 d . . .
O2 O 0.36132(18) 0.06861(14) -0.17860(14) 0.0218(3) Uani 1 1 d . . .
O5 O 0.44231(19) 0.65823(15) -0.09987(16) 0.0262(3) Uani 1 1 d . . .
O4 O 0.41034(18) 0.15961(15) -0.01610(15) 0.0256(3) Uani 1 1 d . . .
N8 N 1.3618(2) 0.12513(18) -0.71816(18) 0.0221(4) Uani 1 1 d . . .
C27 C 0.3780(2) 0.16890(19) -0.1290(2) 0.0185(4) Uani 1 1 d . . .
O6 O 0.3082(2) 0.79335(15) -0.23764(18) 0.0314(4) Uani 1 1 d . . .
N9 N 0.7602(2) 0.13484(18) -0.08348(18) 0.0227(4) Uani 1 1 d . . .
C9 C 0.3676(2) 0.4237(2) -0.1640(2) 0.0209(4) Uani 1 1 d . . .
H1 H 0.3950 0.4136 -0.0792 0.025 Uiso 1 1 calc R . .
C10 C 1.1145(2) 0.1297(2) -0.4729(2) 0.0214(4) Uani 1 1 d . . .
C11 C 0.3646(3) 0.6764(2) -0.1897(2) 0.0220(4) Uani 1 1 d . . .
C12 C 1.3617(3) 0.0298(2) -0.6055(2) 0.0300(5) Uani 1 1 d . . .
H2 H 1.4477 -0.0403 -0.6095 0.036 Uiso 1 1 calc R . .
C13 C 0.9904(2) 0.1327(2) -0.3395(2) 0.0219(4) Uani 1 1 d . . .
C14 C 1.1130(3) 0.2283(3) -0.5915(3) 0.0336(5) Uani 1 1 d . . .
H3 H 1.0279 0.2989 -0.5908 0.040 Uiso 1 1 calc R . .
C15 C 0.8695(3) 0.0271(2) -0.1081(2) 0.0299(5) Uani 1 1 d . . .
H4 H 0.8685 -0.0493 -0.0372 0.036 Uiso 1 1 calc R . .
C16 C 0.3514(2) 0.3089(2) -0.2123(2) 0.0211(4) Uani 1 1 d . . .
C17 C 0.3433(3) 0.5538(2) -0.2410(2) 0.0224(4) Uani 1 1 d . . .
C18 C 1.2434(3) 0.0280(2) -0.4840(2) 0.0292(5) Uani 1 1 d . . .
H5 H 1.2497 -0.0423 -0.4082 0.035 Uiso 1 1 calc R . .
C19 C 0.8775(3) 0.2455(2) -0.3122(3) 0.0355(6) Uani 1 1 d . . .
H6 H 0.8766 0.3239 -0.3808 0.043 Uiso 1 1 calc R . .
C20 C 0.3142(3) 0.3249(2) -0.3396(3) 0.0347(6) Uani 1 1 d . . .
H7 H 0.3050 0.2476 -0.3736 0.042 Uiso 1 1 calc R . .
C21 C 0.3036(3) 0.5685(2) -0.3668(3) 0.0360(6) Uani 1 1 d . . .
H8 H 0.2856 0.6561 -0.4182 0.043 Uiso 1 1 calc R . .
C22 C 1.2361(3) 0.2221(2) -0.7095(2) 0.0335(5) Uani 1 1 d . . .
H9 H 1.2319 0.2894 -0.7882 0.040 Uiso 1 1 calc R . .
C23 C 0.7667(3) 0.2433(2) -0.1849(3) 0.0349(6) Uani 1 1 d . . .
H10 H 0.6926 0.3216 -0.1689 0.042 Uiso 1 1 calc R . .
C24 C 0.9843(3) 0.0218(2) -0.2325(2) 0.0312(5) Uani 1 1 d . . .
H11 H 1.0584 -0.0571 -0.2447 0.037 Uiso 1 1 calc R . .
C26 C 0.2906(4) 0.4537(3) -0.4165(3) 0.0449(7) Uani 1 1 d . . .
H12 H 0.2657 0.4635 -0.5024 0.054 Uiso 1 1 calc R . .

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
Zn1 0.02529(14) 0.01259(12) 0.01630(13) -0.00236(8) -0.00286(10) -0.00361(9)
O2 0.0319(8) 0.0126(6) 0.0194(7) -0.0027(5) -0.0039(6) -0.0037(6)
O5 0.0383(9) 0.0181(7) 0.0262(8) -0.0047(6) -0.0120(7) -0.0068(6)
O4 0.0342(8) 0.0219(7) 0.0223(7) -0.0010(6) -0.0113(6) -0.0045(6)
N8 0.0242(9) 0.0220(8) 0.0173(8) -0.0023(7) -0.0023(7) -0.0024(7)
C27 0.0194(9) 0.0135(9) 0.0200(9) -0.0024(7) -0.0014(8) -0.0023(7)
O6 0.0444(10) 0.0134(7) 0.0383(9) -0.0018(6) -0.0168(8) -0.0019(7)
N9 0.0245(9) 0.0205(8) 0.0199(8) -0.0023(7) -0.0016(7) -0.0030(7)
C9 0.0273(10) 0.0155(9) 0.0208(10) -0.0023(8) -0.0082(8) -0.0032(8)
C10 0.0221(10) 0.0230(10) 0.0185(10) -0.0026(8) -0.0040(8) -0.0048(8)
C11 0.0265(10) 0.0158(9) 0.0232(10) -0.0029(8) -0.0042(9) -0.0051(8)
C12 0.0306(12) 0.0297(12) 0.0209(11) 0.0010(9) -0.0028(9) 0.0055(9)
C13 0.0213(10) 0.0237(10) 0.0203(10) -0.0036(8) -0.0043(8) -0.0036(8)
C14 0.0292(12) 0.0325(12) 0.0276(12) 0.0020(10) -0.0025(10) 0.0088(10)
C15 0.0297(12) 0.0240(11) 0.0259(11) 0.0032(9) 0.0026(10) -0.0022(9)
C16 0.0271(11) 0.0145(9) 0.0239(10) -0.0031(8) -0.0101(9) -0.0027(8)
C17 0.0289(11) 0.0149(9) 0.0250(10) -0.0025(8) -0.0106(9) -0.0022(8)
C18 0.0318(12) 0.0286(11) 0.0183(10) 0.0034(9) -0.0023(9) 0.0033(9)
C19 0.0372(13) 0.0283(12) 0.0251(12) 0.0079(10) 0.0016(10) 0.0059(10)
C20 0.0594(16) 0.0192(10) 0.0369(13) -0.0053(9) -0.0290(12) -0.0067(10)
C21 0.0632(17) 0.0154(10) 0.0388(13) 0.0042(9) -0.0326(13) -0.0071(10)
C22 0.0356(13) 0.0307(12) 0.0230(11) 0.0053(9) -0.0025(10) 0.0043(10)
C23 0.0346(13) 0.0260(11) 0.0296(12) 0.0007(10) 0.0025(10) 0.0090(10)
C24 0.0303(12) 0.0213(11) 0.0308(12) 0.0014(9) 0.0012(10) 0.0033(9)
C26 0.084(2) 0.0251(12) 0.0412(15) -0.0007(11) -0.0440(15) -0.0065(13)

_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
Zn1 O2 2.0375(14) 2_655 ?
Zn1 O4 2.0518(15) . ?
Zn1 O5 2.1216(15) 2_665 ?
Zn1 N9 2.1566(18) . ?
Zn1 N8 2.1822(18) 1_456 ?
Zn1 O6 2.3072(17) 2_665 ?
Zn1 C11 2.536(2) 2_665 ?
O2 C27 1.267(2) . ?
O2 Zn1 2.0375(14) 2_655 ?
O5 C11 1.263(3) . ?
O5 Zn1 2.1216(15) 2_665 ?
O4 C27 1.239(2) . ?
N8 C12 1.333(3) . ?
N8 C22 1.340(3) . ?
N8 Zn1 2.1821(18) 1_654 ?
C27 C16 1.505(3) . ?
O6 C11 1.251(3) . ?
O6 Zn1 2.3072(17) 2_665 ?
N9 C15 1.331(3) . ?
N9 C23 1.336(3) . ?
C9 C16 1.392(3) . ?
C9 C17 1.396(3) . ?
C9 H1 0.9400 . ?
C10 C18 1.387(3) . ?
C10 C14 1.396(3) . ?
C10 C13 1.483(3) . ?
C11 C17 1.498(3) . ?
C11 Zn1 2.536(2) 2_665 ?
C12 C18 1.372(3) . ?
C12 H2 0.9400 . ?
C13 C24 1.386(3) . ?
C13 C19 1.389(3) . ?
C14 C22 1.376(3) . ?
C14 H3 0.9400 . ?
C15 C24 1.381(3) . ?
C15 H4 0.9400 . ?
C16 C20 1.392(3) . ?
C17 C21 1.390(3) . ?
C18 H5 0.9400 . ?
C19 C23 1.380(3) . ?
C19 H6 0.9400 . ?
C20 C26 1.385(3) . ?
C20 H7 0.9400 . ?
C21 C26 1.389(3) . ?
C21 H8 0.9400 . ?
C22 H9 0.9400 . ?
C23 H10 0.9400 . ?
C24 H11 0.9400 . ?
C26 H12 0.9400 . ?

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
O2 Zn1 O4 116.27(6) 2_655 . ?
O2 Zn1 O5 150.18(6) 2_655 2_665 ?
O4 Zn1 O5 93.10(6) . 2_665 ?
O2 Zn1 N9 93.81(6) 2_655 . ?
O4 Zn1 N9 90.18(7) . . ?
O5 Zn1 N9 91.00(6) 2_665 . ?
O2 Zn1 N8 87.84(6) 2_655 1_456 ?
O4 Zn1 N8 85.56(7) . 1_456 ?
O5 Zn1 N8 89.50(6) 2_665 1_456 ?
N9 Zn1 N8 175.74(7) . 1_456 ?
O2 Zn1 O6 90.96(6) 2_655 2_665 ?
O4 Zn1 O6 151.49(6) . 2_665 ?
O5 Zn1 O6 59.24(6) 2_665 2_665 ?
N9 Zn1 O6 96.58(7) . 2_665 ?
N8 Zn1 O6 87.31(7) 1_456 2_665 ?
O2 Zn1 C11 120.37(6) 2_655 2_665 ?
O4 Zn1 C11 122.47(6) . 2_665 ?
O5 Zn1 C11 29.81(6) 2_665 2_665 ?
N9 Zn1 C11 95.32(7) . 2_665 ?
N8 Zn1 C11 87.21(7) 1_456 2_665 ?
O6 Zn1 C11 29.46(6) 2_665 2_665 ?
C27 O2 Zn1 122.83(13) . 2_655 ?
C11 O5 Zn1 93.57(12) . 2_665 ?
C27 O4 Zn1 152.01(15) . . ?
C12 N8 C22 116.44(19) . . ?
C12 N8 Zn1 120.32(15) . 1_654 ?
C22 N8 Zn1 123.01(15) . 1_654 ?
O4 C27 O2 124.63(19) . . ?
O4 C27 C16 118.39(17) . . ?
O2 C27 C16 116.95(18) . . ?
C11 O6 Zn1 85.44(13) . 2_665 ?
C15 N9 C23 117.01(19) . . ?
C15 N9 Zn1 121.84(14) . . ?
C23 N9 Zn1 120.91(15) . . ?
C16 C9 C17 120.23(19) . . ?
C16 C9 H1 119.9 . . ?
C17 C9 H1 119.9 . . ?
C18 C10 C14 116.10(19) . . ?
C18 C10 C13 120.52(19) . . ?
C14 C10 C13 123.4(2) . . ?
O6 C11 O5 121.64(19) . . ?
O6 C11 C17 119.99(19) . . ?
O5 C11 C17 118.36(18) . . ?
O6 C11 Zn1 65.10(11) . 2_665 ?
O5 C11 Zn1 56.63(10) . 2_665 ?
C17 C11 Zn1 173.50(15) . 2_665 ?
N8 C12 C18 123.8(2) . . ?
N8 C12 H2 118.1 . . ?
C18 C12 H2 118.1 . . ?
C24 C13 C19 116.2(2) . . ?
C24 C13 C10 120.81(19) . . ?
C19 C13 C10 123.0(2) . . ?
C22 C14 C10 120.0(2) . . ?
C22 C14 H3 120.0 . . ?
C10 C14 H3 120.0 . . ?
N9 C15 C24 123.4(2) . . ?
N9 C15 H4 118.3 . . ?
C24 C15 H4 118.3 . . ?
C9 C16 C20 119.32(19) . . ?
C9 C16 C27 120.02(18) . . ?
C20 C16 C27 120.64(18) . . ?
C21 C17 C9 119.83(19) . . ?
C21 C17 C11 120.34(19) . . ?
C9 C17 C11 119.81(19) . . ?
C12 C18 C10 120.2(2) . . ?
C12 C18 H5 119.9 . . ?
C10 C18 H5 119.9 . . ?
C23 C19 C13 120.4(2) . . ?
C23 C19 H6 119.8 . . ?
C13 C19 H6 119.8 . . ?
C26 C20 C16 120.6(2) . . ?
C26 C20 H7 119.7 . . ?
C16 C20 H7 119.7 . . ?
C17 C21 C26 120.0(2) . . ?
C17 C21 H8 120.0 . . ?
C26 C21 H8 120.0 . . ?
N8 C22 C14 123.4(2) . . ?
N8 C22 H9 118.3 . . ?
C14 C22 H9 118.3 . . ?
N9 C23 C19 122.9(2) . . ?
N9 C23 H10 118.6 . . ?
C19 C23 H10 118.6 . . ?
C13 C24 C15 120.1(2) . . ?
C13 C24 H11 120.0 . . ?
C15 C24 H11 120.0 . . ?
C20 C26 C21 120.0(2) . . ?
C20 C26 H12 120.0 . . ?
C21 C26 H12 120.0 . . ?

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
O2 Zn1 O4 C27 -86.2(3) 2_655 . . . ?
O5 Zn1 O4 C27 99.2(3) 2_665 . . . ?
N9 Zn1 O4 C27 8.2(3) . . . . ?
N8 Zn1 O4 C27 -171.6(3) 1_456 . . . ?
O6 Zn1 O4 C27 112.4(3) 2_665 . . . ?
C11 Zn1 O4 C27 104.6(3) 2_665 . . . ?
Zn1 O4 C27 O2 86.4(3) . . . . ?
Zn1 O4 C27 C16 -95.6(3) . . . . ?
Zn1 O2 C27 O4 -14.0(3) 2_655 . . . ?
Zn1 O2 C27 C16 167.94(13) 2_655 . . . ?
O2 Zn1 N9 C15 -0.58(18) 2_655 . . . ?
O4 Zn1 N9 C15 -116.92(18) . . . . ?
O5 Zn1 N9 C15 149.97(18) 2_665 . . . ?
N8 Zn1 N9 C15 -113.3(8) 1_456 . . . ?
O6 Zn1 N9 C15 90.83(18) 2_665 . . . ?
C11 Zn1 N9 C15 120.43(18) 2_665 . . . ?
O2 Zn1 N9 C23 173.66(19) 2_655 . . . ?
O4 Zn1 N9 C23 57.31(19) . . . . ?
O5 Zn1 N9 C23 -35.79(19) 2_665 . . . ?
N8 Zn1 N9 C23 60.9(9) 1_456 . . . ?
O6 Zn1 N9 C23 -94.93(19) 2_665 . . . ?
C11 Zn1 N9 C23 -65.34(19) 2_665 . . . ?
Zn1 O6 C11 O5 3.3(2) 2_665 . . . ?
Zn1 O6 C11 C17 -175.44(19) 2_665 . . . ?
Zn1 O5 C11 O6 -3.6(2) 2_665 . . . ?
Zn1 O5 C11 C17 175.17(17) 2_665 . . . ?
C22 N8 C12 C18 -1.1(4) . . . . ?
Zn1 N8 C12 C18 173.43(19) 1_654 . . . ?
C18 C10 C13 C24 -12.2(3) . . . . ?
C14 C10 C13 C24 169.8(2) . . . . ?
C18 C10 C13 C19 166.0(2) . . . . ?
C14 C10 C13 C19 -12.0(4) . . . . ?
C18 C10 C14 C22 -1.1(4) . . . . ?
C13 C10 C14 C22 177.0(2) . . . . ?
C23 N9 C15 C24 -1.6(4) . . . . ?
Zn1 N9 C15 C24 172.87(19) . . . . ?
C17 C9 C16 C20 1.4(3) . . . . ?
C17 C9 C16 C27 179.88(19) . . . . ?
O4 C27 C16 C9 1.8(3) . . . . ?
O2 C27 C16 C9 179.95(18) . . . . ?
O4 C27 C16 C20 -179.8(2) . . . . ?
O2 C27 C16 C20 -1.6(3) . . . . ?
C16 C9 C17 C21 -0.3(3) . . . . ?
C16 C9 C17 C11 -178.63(19) . . . . ?
O6 C11 C17 C21 18.8(3) . . . . ?
O5 C11 C17 C21 -160.0(2) . . . . ?
Zn1 C11 C17 C21 -121.6(13) 2_665 . . . ?
O6 C11 C17 C9 -163.0(2) . . . . ?
O5 C11 C17 C9 18.3(3) . . . . ?
Zn1 C11 C17 C9 56.6(14) 2_665 . . . ?
N8 C12 C18 C10 -0.4(4) . . . . ?
C14 C10 C18 C12 1.4(3) . . . . ?
C13 C10 C18 C12 -176.7(2) . . . . ?
C24 C13 C19 C23 -0.4(4) . . . . ?
C10 C13 C19 C23 -178.7(2) . . . . ?
C9 C16 C20 C26 -1.2(4) . . . . ?
C27 C16 C20 C26 -179.6(2) . . . . ?
C9 C17 C21 C26 -1.0(4) . . . . ?
C11 C17 C21 C26 177.3(2) . . . . ?
C12 N8 C22 C14 1.5(4) . . . . ?
Zn1 N8 C22 C14 -172.9(2) 1_654 . . . ?
C10 C14 C22 N8 -0.4(4) . . . . ?
C15 N9 C23 C19 1.8(4) . . . . ?
Zn1 N9 C23 C19 -172.7(2) . . . . ?
C13 C19 C23 N9 -0.8(4) . . . . ?
C19 C13 C24 C15 0.6(4) . . . . ?
C10 C13 C24 C15 178.9(2) . . . . ?
N9 C15 C24 C13 0.4(4) . . . . ?
C16 C20 C26 C21 -0.1(5) . . . . ?
C17 C21 C26 C20 1.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.953
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.953
_refine_diff_density_max         0.410
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.067