# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005



data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Kyoko Nozaki'
_publ_contact_author_address     
;
Department of Chemistry and Biotechnology, Graduate School of
Engineering
TheUniversity of Tokyo
7-3-1 Hongo, Bunkyo-ku
Tokyo
113-8656
JAPAN
;

_publ_contact_author_phone       +81-3-5841-7261
_publ_contact_author_fax         +81-3-5841-7261

_publ_contact_author_email       NOZAKI@CHEMBIO.T.U-TOKYO.AC.JP

_publ_section_title              
;
Asymmetric amplification in asymmetric alternating
copolymerization of cyclohexene oxide and carbon dioxide
;
loop_
_publ_author_name
'Kyoko Nozaki'
'Tamejiro Hiyama'
'Koji Nakano'

data_heteroz
_database_code_depnum_ccdc_archive 'CCDC 254118'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H23 N O Zn'
_chemical_formula_weight         346.75

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   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.1430(7)
_cell_length_b                   11.2307(6)
_cell_length_c                   12.2015(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6860(10)
_cell_angle_gamma                90.00
_cell_volume                     1629.48(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    5236
_cell_measurement_theta_min      2.1575
_cell_measurement_theta_max      29.9525

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             728
_exptl_absorpt_coefficient_mu    1.508
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6604
_exptl_absorpt_correction_T_max  0.7524
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_standards_number         155
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  516
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11160
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.16
_diffrn_reflns_theta_max         27.50
_reflns_number_total             3723
_reflns_number_gt                3202
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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^)+(0.0485P)^2^+8.6418P] 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    mixed
_refine_ls_extinction_method     SHELXTL
_refine_ls_extinction_coef       0.0000(7)
_refine_ls_number_reflns         3723
_refine_ls_number_parameters     204
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0594
_refine_ls_wR_factor_ref         0.1648
_refine_ls_wR_factor_gt          0.1624
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_restrained_S_all      1.195
_refine_ls_shift/su_max          0.000
_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 0.42945(4) 0.04992(5) 0.08054(4) 0.02074(17) Uani 1 1 d . . .
O1 O 0.5816(3) -0.0321(3) 0.0850(3) 0.0208(7) Uani 1 1 d . . .
C12 C 0.6572(4) -0.0072(4) 0.2819(4) 0.0217(9) Uani 1 1 d . . .
C6 C 0.7841(4) -0.0181(4) 0.1454(4) 0.0203(9) Uani 1 1 d . . .
N1 N 0.5383(4) 0.1966(4) 0.1450(4) 0.0271(9) Uani 1 1 d . . .
C4 C 0.6561(4) 0.1610(4) 0.1431(4) 0.0235(9) Uani 1 1 d . . .
H1 H 0.7077 0.2019 0.2036 0.028 Uiso 1 1 calc R . .
C5 C 0.6679(4) 0.0237(4) 0.1609(4) 0.0216(9) Uani 1 1 d . . .
C18 C 0.3054(4) 0.0449(5) 0.1654(4) 0.0285(10) Uani 1 1 d . . .
H2 H 0.2389 0.0113 0.1179 0.034 Uiso 1 1 calc R . .
H3 H 0.3271 -0.0072 0.2295 0.034 Uiso 1 1 calc R . .
C7 C 0.8800(4) 0.0531(5) 0.1685(5) 0.0308(11) Uani 1 1 d . . .
H4 H 0.8744 0.1305 0.1939 0.037 Uiso 1 1 calc R . .
C13 C 0.7280(4) 0.0428(5) 0.3739(4) 0.0288(10) Uani 1 1 d . . .
H5 H 0.7853 0.0940 0.3636 0.035 Uiso 1 1 calc R . .
C17 C 0.5756(4) -0.0870(5) 0.3007(4) 0.0272(10) Uani 1 1 d . . .
H6 H 0.5291 -0.1236 0.2401 0.033 Uiso 1 1 calc R . .
C15 C 0.6316(5) -0.0589(6) 0.4989(4) 0.0375(13) Uani 1 1 d . . .
H7 H 0.6216 -0.0744 0.5711 0.045 Uiso 1 1 calc R . .
C11 C 0.7969(4) -0.1347(5) 0.1099(4) 0.0265(10) Uani 1 1 d . . .
H8 H 0.7347 -0.1848 0.0952 0.032 Uiso 1 1 calc R . .
C10 C 0.9004(4) -0.1775(5) 0.0959(4) 0.0301(11) Uani 1 1 d . . .
H9 H 0.9066 -0.2551 0.0714 0.036 Uiso 1 1 calc R . .
C16 C 0.5627(5) -0.1128(5) 0.4082(4) 0.0338(12) Uani 1 1 d . . .
H10 H 0.5077 -0.1664 0.4196 0.041 Uiso 1 1 calc R . .
C3 C 0.6743(4) 0.2080(5) 0.0289(4) 0.0289(11) Uani 1 1 d . . .
H11 H 0.7427 0.2548 0.0385 0.035 Uiso 1 1 calc R . .
H12 H 0.6796 0.1424 -0.0214 0.035 Uiso 1 1 calc R . .
C9 C 0.9946(4) -0.1044(5) 0.1184(5) 0.0340(12) Uani 1 1 d . . .
H13 H 1.0641 -0.1329 0.1094 0.041 Uiso 1 1 calc R . .
C2 C 0.5708(4) 0.2859(5) -0.0177(5) 0.0321(11) Uani 1 1 d . . .
H14 H 0.5928 0.3589 -0.0499 0.038 Uiso 1 1 calc R . .
H15 H 0.5177 0.2434 -0.0743 0.038 Uiso 1 1 calc R . .
C14 C 0.7136(5) 0.0165(5) 0.4823(4) 0.0362(13) Uani 1 1 d . . .
H16 H 0.7608 0.0513 0.5434 0.043 Uiso 1 1 calc R . .
C19 C 0.2765(5) 0.1678(5) 0.2059(5) 0.0342(12) Uani 1 1 d . . .
H17 H 0.3430 0.2034 0.2496 0.051 Uiso 1 1 calc R . .
H18 H 0.2207 0.1596 0.2510 0.051 Uiso 1 1 calc R . .
H19 H 0.2477 0.2175 0.1426 0.051 Uiso 1 1 calc R . .
C1 C 0.5212(5) 0.3116(5) 0.0836(5) 0.0329(12) Uani 1 1 d . . .
H20 H 0.5607 0.3760 0.1279 0.040 Uiso 1 1 calc R . .
H21 H 0.4420 0.3315 0.0624 0.040 Uiso 1 1 calc R . .
C8 C 0.9840(4) 0.0110(5) 0.1544(5) 0.0352(12) Uani 1 1 d . . .
H22 H 1.0466 0.0606 0.1692 0.042 Uiso 1 1 calc R . .
H23 H 0.523(5) 0.210(5) 0.211(5) 0.032(16) Uiso 1 1 d . . .

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 0.0186(3) 0.0243(3) 0.0193(3) -0.0006(2) 0.00375(19) -0.0013(2)
O1 0.0165(15) 0.0271(17) 0.0172(15) -0.0013(12) -0.0003(12) -0.0032(12)
C12 0.023(2) 0.023(2) 0.018(2) -0.0015(17) 0.0018(17) 0.0062(18)
C6 0.020(2) 0.025(2) 0.0147(19) 0.0045(16) 0.0003(16) -0.0026(17)
N1 0.025(2) 0.027(2) 0.028(2) 0.0005(17) 0.0019(17) 0.0019(17)
C4 0.022(2) 0.022(2) 0.025(2) -0.0029(18) 0.0000(18) -0.0012(18)
C5 0.019(2) 0.024(2) 0.020(2) -0.0005(17) 0.0015(17) -0.0032(17)
C18 0.026(2) 0.036(3) 0.024(2) -0.001(2) 0.0078(19) -0.004(2)
C7 0.026(3) 0.029(3) 0.036(3) 0.000(2) 0.003(2) -0.003(2)
C13 0.028(2) 0.032(3) 0.024(2) -0.003(2) -0.0022(19) 0.001(2)
C17 0.024(2) 0.033(3) 0.023(2) 0.003(2) 0.0014(19) 0.003(2)
C15 0.041(3) 0.050(3) 0.022(2) 0.002(2) 0.008(2) 0.018(3)
C11 0.024(2) 0.032(3) 0.022(2) 0.0020(19) 0.0010(18) -0.002(2)
C10 0.031(3) 0.032(3) 0.026(2) 0.003(2) 0.005(2) 0.004(2)
C16 0.033(3) 0.043(3) 0.027(3) 0.008(2) 0.009(2) 0.010(2)
C3 0.032(3) 0.024(2) 0.031(3) 0.001(2) 0.005(2) -0.002(2)
C9 0.024(3) 0.043(3) 0.036(3) 0.011(2) 0.010(2) 0.005(2)
C2 0.031(3) 0.027(3) 0.034(3) 0.007(2) -0.002(2) -0.007(2)
C14 0.046(3) 0.037(3) 0.021(2) -0.004(2) -0.004(2) 0.015(3)
C19 0.031(3) 0.043(3) 0.030(3) -0.004(2) 0.010(2) 0.000(2)
C1 0.031(3) 0.025(2) 0.039(3) 0.002(2) -0.001(2) 0.001(2)
C8 0.019(2) 0.042(3) 0.043(3) 0.001(2) 0.002(2) -0.001(2)

_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 C18 1.994(5) . ?
Zn1 O1 2.007(3) 3_655 ?
Zn1 O1 2.055(3) . ?
Zn1 N1 2.158(4) . ?
Zn1 Zn1 3.0693(10) 3_655 ?
O1 C5 1.399(5) . ?
O1 Zn1 2.007(3) 3_655 ?
C12 C13 1.387(7) . ?
C12 C17 1.388(7) . ?
C12 C5 1.548(6) . ?
C6 C7 1.394(7) . ?
C6 C11 1.398(7) . ?
C6 C5 1.534(6) . ?
N1 C1 1.486(7) . ?
N1 C4 1.490(6) . ?
N1 H23 0.88(6) . ?
C4 C3 1.547(7) . ?
C4 C5 1.560(6) . ?
C4 H1 0.9800 . ?
C18 C19 1.531(8) . ?
C18 H2 0.9700 . ?
C18 H3 0.9700 . ?
C7 C8 1.392(7) . ?
C7 H4 0.9300 . ?
C13 C14 1.400(7) . ?
C13 H5 0.9300 . ?
C17 C16 1.384(7) . ?
C17 H6 0.9300 . ?
C15 C14 1.354(9) . ?
C15 C16 1.384(8) . ?
C15 H7 0.9300 . ?
C11 C10 1.387(7) . ?
C11 H8 0.9300 . ?
C10 C9 1.389(8) . ?
C10 H9 0.9300 . ?
C16 H10 0.9300 . ?
C3 C2 1.541(7) . ?
C3 H11 0.9700 . ?
C3 H12 0.9700 . ?
C9 C8 1.383(8) . ?
C9 H13 0.9300 . ?
C2 C1 1.509(8) . ?
C2 H14 0.9700 . ?
C2 H15 0.9700 . ?
C14 H16 0.9300 . ?
C19 H17 0.9600 . ?
C19 H18 0.9600 . ?
C19 H19 0.9600 . ?
C1 H20 0.9700 . ?
C1 H21 0.9700 . ?
C8 H22 0.9300 . ?

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
C18 Zn1 O1 128.04(18) . 3_655 ?
C18 Zn1 O1 137.98(18) . . ?
O1 Zn1 O1 81.86(13) 3_655 . ?
C18 Zn1 N1 107.69(19) . . ?
O1 Zn1 N1 110.72(15) 3_655 . ?
O1 Zn1 N1 81.48(14) . . ?
C18 Zn1 Zn1 154.22(16) . 3_655 ?
O1 Zn1 Zn1 41.52(9) 3_655 3_655 ?
O1 Zn1 Zn1 40.35(9) . 3_655 ?
N1 Zn1 Zn1 97.59(12) . 3_655 ?
C5 O1 Zn1 126.8(3) . 3_655 ?
C5 O1 Zn1 111.5(3) . . ?
Zn1 O1 Zn1 98.14(13) 3_655 . ?
C13 C12 C17 118.3(4) . . ?
C13 C12 C5 121.5(4) . . ?
C17 C12 C5 120.2(4) . . ?
C7 C6 C11 117.3(5) . . ?
C7 C6 C5 123.4(4) . . ?
C11 C6 C5 119.3(4) . . ?
C1 N1 C4 105.2(4) . . ?
C1 N1 Zn1 117.9(3) . . ?
C4 N1 Zn1 108.0(3) . . ?
C1 N1 H23 106(4) . . ?
C4 N1 H23 116(4) . . ?
Zn1 N1 H23 104(4) . . ?
N1 C4 C3 103.6(4) . . ?
N1 C4 C5 109.0(4) . . ?
C3 C4 C5 115.9(4) . . ?
N1 C4 H1 109.4 . . ?
C3 C4 H1 109.4 . . ?
C5 C4 H1 109.4 . . ?
O1 C5 C6 111.5(4) . . ?
O1 C5 C12 109.5(4) . . ?
C6 C5 C12 107.8(4) . . ?
O1 C5 C4 108.4(4) . . ?
C6 C5 C4 110.3(4) . . ?
C12 C5 C4 109.4(4) . . ?
C19 C18 Zn1 112.9(4) . . ?
C19 C18 H2 109.0 . . ?
Zn1 C18 H2 109.0 . . ?
C19 C18 H3 109.0 . . ?
Zn1 C18 H3 109.0 . . ?
H2 C18 H3 107.8 . . ?
C8 C7 C6 121.5(5) . . ?
C8 C7 H4 119.2 . . ?
C6 C7 H4 119.2 . . ?
C12 C13 C14 120.2(5) . . ?
C12 C13 H5 119.9 . . ?
C14 C13 H5 119.9 . . ?
C16 C17 C12 120.9(5) . . ?
C16 C17 H6 119.6 . . ?
C12 C17 H6 119.6 . . ?
C14 C15 C16 119.9(5) . . ?
C14 C15 H7 120.1 . . ?
C16 C15 H7 120.1 . . ?
C10 C11 C6 121.6(5) . . ?
C10 C11 H8 119.2 . . ?
C6 C11 H8 119.2 . . ?
C11 C10 C9 120.1(5) . . ?
C11 C10 H9 120.0 . . ?
C9 C10 H9 120.0 . . ?
C17 C16 C15 120.0(6) . . ?
C17 C16 H10 120.0 . . ?
C15 C16 H10 120.0 . . ?
C2 C3 C4 105.8(4) . . ?
C2 C3 H11 110.6 . . ?
C4 C3 H11 110.6 . . ?
C2 C3 H12 110.6 . . ?
C4 C3 H12 110.6 . . ?
H11 C3 H12 108.7 . . ?
C8 C9 C10 119.4(5) . . ?
C8 C9 H13 120.3 . . ?
C10 C9 H13 120.3 . . ?
C1 C2 C3 103.7(4) . . ?
C1 C2 H14 111.0 . . ?
C3 C2 H14 111.0 . . ?
C1 C2 H15 111.0 . . ?
C3 C2 H15 111.0 . . ?
H14 C2 H15 109.0 . . ?
C15 C14 C13 120.7(5) . . ?
C15 C14 H16 119.7 . . ?
C13 C14 H16 119.7 . . ?
C18 C19 H17 109.5 . . ?
C18 C19 H18 109.5 . . ?
H17 C19 H18 109.5 . . ?
C18 C19 H19 109.5 . . ?
H17 C19 H19 109.5 . . ?
H18 C19 H19 109.5 . . ?
N1 C1 C2 102.0(4) . . ?
N1 C1 H20 111.4 . . ?
C2 C1 H20 111.4 . . ?
N1 C1 H21 111.4 . . ?
C2 C1 H21 111.4 . . ?
H20 C1 H21 109.2 . . ?
C9 C8 C7 120.2(5) . . ?
C9 C8 H22 119.9 . . ?
C7 C8 H22 119.9 . . ?

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
C18 Zn1 O1 C5 -84.6(4) . . . . ?
O1 Zn1 O1 C5 134.9(3) 3_655 . . . ?
N1 Zn1 O1 C5 22.4(3) . . . . ?
Zn1 Zn1 O1 C5 134.9(3) 3_655 . . . ?
C18 Zn1 O1 Zn1 140.5(2) . . . 3_655 ?
O1 Zn1 O1 Zn1 0.0 3_655 . . 3_655 ?
N1 Zn1 O1 Zn1 -112.50(17) . . . 3_655 ?
C18 Zn1 N1 C1 -96.9(4) . . . . ?
O1 Zn1 N1 C1 47.4(4) 3_655 . . . ?
O1 Zn1 N1 C1 125.3(4) . . . . ?
Zn1 Zn1 N1 C1 88.2(4) 3_655 . . . ?
C18 Zn1 N1 C4 144.2(3) . . . . ?
O1 Zn1 N1 C4 -71.5(3) 3_655 . . . ?
O1 Zn1 N1 C4 6.4(3) . . . . ?
Zn1 Zn1 N1 C4 -30.7(3) 3_655 . . . ?
C1 N1 C4 C3 -33.7(5) . . . . ?
Zn1 N1 C4 C3 93.0(4) . . . . ?
C1 N1 C4 C5 -157.6(4) . . . . ?
Zn1 N1 C4 C5 -30.9(4) . . . . ?
Zn1 O1 C5 C6 -48.1(5) 3_655 . . . ?
Zn1 O1 C5 C6 -167.0(3) . . . . ?
Zn1 O1 C5 C12 -167.3(3) 3_655 . . . ?
Zn1 O1 C5 C12 73.8(4) . . . . ?
Zn1 O1 C5 C4 73.5(4) 3_655 . . . ?
Zn1 O1 C5 C4 -45.5(4) . . . . ?
C7 C6 C5 O1 150.1(4) . . . . ?
C11 C6 C5 O1 -32.1(6) . . . . ?
C7 C6 C5 C12 -89.7(5) . . . . ?
C11 C6 C5 C12 88.1(5) . . . . ?
C7 C6 C5 C4 29.6(6) . . . . ?
C11 C6 C5 C4 -152.5(4) . . . . ?
C13 C12 C5 O1 -175.8(4) . . . . ?
C17 C12 C5 O1 4.5(6) . . . . ?
C13 C12 C5 C6 62.8(6) . . . . ?
C17 C12 C5 C6 -116.9(5) . . . . ?
C13 C12 C5 C4 -57.1(6) . . . . ?
C17 C12 C5 C4 123.1(5) . . . . ?
N1 C4 C5 O1 50.9(5) . . . . ?
C3 C4 C5 O1 -65.3(5) . . . . ?
N1 C4 C5 C6 173.2(4) . . . . ?
C3 C4 C5 C6 57.0(5) . . . . ?
N1 C4 C5 C12 -68.4(5) . . . . ?
C3 C4 C5 C12 175.4(4) . . . . ?
O1 Zn1 C18 C19 -106.2(4) 3_655 . . . ?
O1 Zn1 C18 C19 126.9(4) . . . . ?
N1 Zn1 C18 C19 29.9(4) . . . . ?
Zn1 Zn1 C18 C19 -161.7(3) 3_655 . . . ?
C11 C6 C7 C8 1.4(7) . . . . ?
C5 C6 C7 C8 179.3(5) . . . . ?
C17 C12 C13 C14 -2.6(7) . . . . ?
C5 C12 C13 C14 177.6(5) . . . . ?
C13 C12 C17 C16 2.2(7) . . . . ?
C5 C12 C17 C16 -178.0(5) . . . . ?
C7 C6 C11 C10 -1.2(7) . . . . ?
C5 C6 C11 C10 -179.2(4) . . . . ?
C6 C11 C10 C9 0.7(7) . . . . ?
C12 C17 C16 C15 0.0(8) . . . . ?
C14 C15 C16 C17 -1.8(8) . . . . ?
N1 C4 C3 C2 9.2(5) . . . . ?
C5 C4 C3 C2 128.5(4) . . . . ?
C11 C10 C9 C8 -0.2(8) . . . . ?
C4 C3 C2 C1 17.7(5) . . . . ?
C16 C15 C14 C13 1.4(8) . . . . ?
C12 C13 C14 C15 0.8(8) . . . . ?
C4 N1 C1 C2 45.4(5) . . . . ?
Zn1 N1 C1 C2 -74.9(4) . . . . ?
C3 C2 C1 N1 -38.0(5) . . . . ?
C10 C9 C8 C7 0.4(8) . . . . ?
C6 C7 C8 C9 -1.0(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.767
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.113

#===END