# 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        'L. MacGillivray'
_publ_contact_author_address     
;
Department of Chemistry
University of Iowa
423B Chemistry Bldg
Iowa City
Iowa
52242-1294
USA
;

_publ_contact_author_email       LEN-MACGILLIVRAY@UIOWA.EDU

_publ_section_title              
;
Directed assembly and reactivity of olefins within a
one-dimensional ladder-like coordination polymer based on a dinuclear
Zn(II) platform.
;
loop_
_publ_author_name
'L. MacGillivray'
'Tomisla Friscic'
'Ivan G. Georgiev'
'Giannis S. Papaefstathiou'

data_mcg263
_database_code_depnum_ccdc_archive 'CCDC 267193'

_audit_creation_date             2005-03-23T22:37:25-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#------------------ CHEMICAL INFORMATION ------------------------------------#

_chemical_formula_sum            'C47 H52 Cl2 N8 O14 Zn2'
_chemical_formula_weight         1154.7
_chemical_formula_moiety         'C47 H44 N8 O2 Zn2, 2(Cl O4), 4(H2 O)'

#------------------ UNIT CELL INFORMATION -----------------------------------#

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                   11.909(2)
_cell_length_b                   17.257(4)
_cell_length_c                   23.920(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.09(3)
_cell_angle_gamma                90
_cell_volume                     4878.6(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)

#------------------ CRYSTAL INFORMATION -------------------------------------#

_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_cell_measurement_theta_min      1.00
_cell_measurement_theta_max      27.48
_exptl_crystal_colour            yellow
_exptl_crystal_description       prism
_space_group_name_H-M_alt        C2/c
_exptl_crystal_F_000             2384
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack (Otwinowiski & Minor, 1997)'
_exptl_absorpt_correction_T_min  0.7355
_exptl_absorpt_correction_T_max  0.8488

#------------------ DATA COLLECTION INFORMATION -----------------------------#

_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_reflns_number            15393
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_reflns_number_total             5522
_reflns_number_gt                4235
_reflns_threshold_expression     >2sigma(I)

#------------------ COMPUTER PROGRAMS USED ----------------------------------#

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#------------------ REFINEMENT INFORMATION ----------------------------------#

_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.
The oxygen atoms of the perchlorate anion were found to be disordered over
two positions, designated A and B, with relative occupational parameters
0.75 and 0.25, respectively. The hydrogen atoms of the methyl group (carbon
atom C6) and the hydroxyl groups are disordered over two positions with
occupational parameters 0.50 and 0.50, by virtue of a crystallographic
centre of symmetry. All non-hydrogen atoms, except the ones in the
B part of the disordered perchlorate anion, were refined anisotropically.
Hydrogen atoms were treated as isotropic. The positions of hydrogen atoms
bonded to carbon atoms were generated according to stereochemical
properties of the corresponding carbon atoms. The hydrogen atoms of the
hydroxide ion and water molecules were located from the final Fourier
difference electron density map. Isotropic thermal parameters of hydrogen
atoms bonded to carbon atoms were allowed to ride on the average thermal
parameter of the belonging carbon atom.
;
_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^)+(0.0405P)^2^+5.1426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5522
_refine_ls_number_parameters     349
_refine_ls_number_restraints     6
_refine_ls_R_factor_gt           0.0344
_refine_ls_wR_factor_ref         0.09
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.436

#------------------ ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS --------#

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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_
_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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
Zn1 Zn 0.884603(19) 0.248396(13) 0.708281(9) 0.02031(8) Uani 1 d . . .
Cl1 Cl 0.24688(5) -0.00323(3) 0.52599(3) 0.03868(15) Uani 1 d . . .
N4 N 0.47643(14) 0.25228(9) 1.12883(7) 0.0217(4) Uani 1 d . . .
C24 C 0.47670(17) 0.31222(12) 1.09283(8) 0.0239(4) Uani 1 d . . .
H24 H 0.4456 0.3589 1.1027 0.029 Uiso 1 calc R . .
C25 C 0.52029(17) 0.30849(12) 1.04218(9) 0.0243(4) Uani 1 d . . .
H25 H 0.5183 0.3519 1.019 0.029 Uiso 1 calc R . .
C23 C 0.52190(17) 0.18592(12) 1.11305(8) 0.0243(4) Uani 1 d . . .
H23 H 0.5228 0.1435 1.1371 0.029 Uiso 1 calc R . .
C22 C 0.56750(18) 0.17710(12) 1.06300(9) 0.0254(4) Uani 1 d . . .
H22 H 0.5982 0.1297 1.0542 0.03 Uiso 1 calc R . .
O2 O 1 0.17517(11) 0.75 0.0218(4) Uani 1 d S . .
O1 O 1 0.32974(10) 0.75 0.0198(4) Uani 1 d S . .
O8 O -0.06107(19) -0.02376(13) 0.29620(8) 0.0634(6) Uani 1 d . . .
O7 O 0.02327(16) 0.02247(11) 0.40500(8) 0.0501(5) Uani 1 d . . .
N3 N 0.77652(15) 0.25458(9) 0.78157(7) 0.0231(4) Uani 1 d . . .
N1 N 0.79398(14) 0.34391(9) 0.67248(7) 0.0206(3) Uani 1 d . . .
N2 N 0.76614(14) 0.16670(10) 0.66371(7) 0.0229(4) Uani 1 d . . .
C8 C 0.70100(19) 0.26506(12) 0.59262(9) 0.0269(5) Uani 1 d . . .
H8A H 0.6403 0.2705 0.5619 0.032 Uiso 1 calc R . .
H8B H 0.7718 0.2737 0.5775 0.032 Uiso 1 calc R . .
C18 C 0.77853(17) 0.19746(12) 0.81993(8) 0.0232(4) Uani 1 d . . .
H18 H 0.8177 0.1523 0.8136 0.028 Uiso 1 calc R . .
C6 C 1 0.65996(17) 0.75 0.0371(8) Uani 1 d S . .
H6A H 1.0501 0.6785 0.7245 0.056 Uiso 0.5 calc PR . .
H6B H 1.0251 0.6785 0.7873 0.056 Uiso 0.5 calc PR . .
H6C H 0.9248 0.6785 0.7382 0.056 Uiso 0.5 calc PR . .
C1 C 1 0.40580(16) 0.75 0.0192(6) Uani 1 d S . .
C20 C 0.61680(17) 0.22882(13) 0.97289(9) 0.0244(4) Uani 1 d . . .
H20 H 0.6532 0.182 0.9682 0.029 Uiso 1 calc R . .
C14 C 0.71664(18) 0.31805(12) 0.79156(9) 0.0271(5) Uani 1 d . . .
H14 H 0.7118 0.358 0.7653 0.033 Uiso 1 calc R . .
C3 C 0.92039(17) 0.53043(12) 0.71573(9) 0.0246(4) Uani 1 d . . .
H3 H 0.8665 0.5574 0.6918 0.03 Uiso 1 calc R . .
C17 C 0.72601(17) 0.20176(12) 0.86807(8) 0.0232(4) Uani 1 d . . .
H17 H 0.73 0.1602 0.893 0.028 Uiso 1 calc R . .
C19 C 0.61423(17) 0.28023(13) 0.93088(8) 0.0245(4) Uani 1 d . . .
H19 H 0.5763 0.3267 0.9347 0.029 Uiso 1 calc R . .
C4 C 1 0.57243(17) 0.75 0.0264(6) Uani 1 d S . .
C15 C 0.66189(19) 0.32712(12) 0.83885(9) 0.0281(5) Uani 1 d . . .
H15 H 0.6217 0.3723 0.8436 0.034 Uiso 1 calc R . .
C12 C 0.6955(2) 0.03632(13) 0.65786(10) 0.0329(5) Uani 1 d . . .
H12 H 0.6955 -0.0131 0.6735 0.039 Uiso 1 calc R . .
C16 C 0.66670(17) 0.26875(12) 0.87937(8) 0.0232(4) Uani 1 d . . .
C10 C 0.63175(19) 0.12711(13) 0.58672(10) 0.0348(5) Uani 1 d . . .
H10 H 0.588 0.1394 0.553 0.042 Uiso 1 calc R . .
C21 C 0.56747(17) 0.23931(11) 1.02578(8) 0.0218(4) Uani 1 d . . .
C13 C 0.76255(18) 0.09375(12) 0.68381(9) 0.0274(5) Uani 1 d . . .
H13 H 0.8081 0.0818 0.7171 0.033 Uiso 1 calc R . .
C5 C 0.82069(17) 0.41578(12) 0.67899(8) 0.0219(4) Uani 1 d . . .
H5 H 0.7732 0.4509 0.6582 0.026 Uiso 1 calc R . .
C2 C 0.91654(17) 0.44892(11) 0.71503(8) 0.0205(4) Uani 1 d . . .
C9 C 0.70002(17) 0.18330(12) 0.61495(9) 0.0254(4) Uani 1 d . . .
C7 C 0.68734(17) 0.32744(12) 0.63647(9) 0.0262(5) Uani 1 d . . .
H7A H 0.6601 0.3747 0.6174 0.031 Uiso 1 calc R . .
H7B H 0.631 0.3107 0.6599 0.031 Uiso 1 calc R . .
C11 C 0.6282(2) 0.05310(14) 0.60831(11) 0.0389(6) Uani 1 d . . .
H11 H 0.5816 0.0155 0.5898 0.047 Uiso 1 calc R . .
O3A O 0.3628(3) -0.0140(4) 0.5424(2) 0.1097(19) Uani 0.75 d PD 1 A
O4A O 0.2334(4) 0.0477(2) 0.47723(17) 0.0610(11) Uani 0.75 d PD 1 A
O6A O 0.1933(5) -0.0725(2) 0.50739(19) 0.0918(16) Uani 0.75 d PD 1 A
O5A O 0.1900(4) 0.0299(2) 0.57064(18) 0.0492(9) Uani 0.75 d PD 1 A
O3B O 0.3391(10) -0.0511(6) 0.5452(6) 0.059(3) Uiso 0.25 d PD 2 A
O4B O 0.1527(9) -0.0554(7) 0.5115(5) 0.051(3) Uiso 0.25 d PD 2 A
O5B O 0.2694(10) 0.0511(8) 0.4885(6) 0.055(4) Uiso 0.25 d PD 2 A
O6B O 0.2254(10) 0.0361(9) 0.5753(6) 0.046(4) Uiso 0.25 d PD 2 A
H1O H -0.0359 0.0106 0.421 0.075 Uiso 1 d . . .
H2O H 0.0893 0.0188 0.4304 0.075 Uiso 1 d . . .
H3O H -0.0264 -0.0027 0.3314 0.075 Uiso 1 d . . .
H4O H -0.0264 0.0102 0.2628 0.075 Uiso 1 d . . .
H5O H 1.021 0.1492 0.7224 0.03 Uiso 0.5 d P . .

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 0.02118(13) 0.02001(13) 0.01909(13) 0.00128(9) -0.00003(9) -0.00080(9)
Cl1 0.0426(3) 0.0339(3) 0.0388(3) 0.0020(3) 0.0021(2) -0.0034(3)
N4 0.0228(8) 0.0236(9) 0.0190(8) 0.0000(7) 0.0038(7) -0.0004(7)
C24 0.0256(10) 0.0226(10) 0.0240(10) -0.0011(8) 0.0055(8) -0.0002(8)
C25 0.0267(11) 0.0230(10) 0.0234(10) 0.0039(8) 0.0037(8) 0.0001(8)
C23 0.0273(11) 0.0233(10) 0.0228(10) 0.0042(8) 0.0056(8) 0.0011(8)
C22 0.0278(11) 0.0237(10) 0.0255(10) -0.0003(9) 0.0062(9) 0.0020(8)
O2 0.0243(10) 0.0215(10) 0.0188(9) 0 -0.0003(8) 0
O1 0.0227(10) 0.0145(9) 0.0214(10) 0 -0.0008(8) 0
O8 0.0743(15) 0.0705(14) 0.0449(11) -0.0132(10) 0.0059(10) -0.0161(11)
O7 0.0481(11) 0.0538(12) 0.0464(11) 0.0062(9) -0.0026(9) -0.0042(9)
N3 0.0228(8) 0.0268(9) 0.0201(8) -0.0005(7) 0.0048(7) -0.0020(7)
N1 0.0227(8) 0.0216(9) 0.0176(8) 0.0009(7) 0.0029(7) 0.0015(7)
N2 0.0222(9) 0.0269(9) 0.0202(8) -0.0003(7) 0.0044(7) -0.0033(7)
C8 0.0251(11) 0.0311(12) 0.0224(10) 0.0017(9) -0.0054(8) -0.0004(8)
C18 0.0212(10) 0.0259(10) 0.0230(10) -0.0022(8) 0.0044(8) -0.0014(8)
C6 0.0314(17) 0.0204(16) 0.057(2) 0 -0.0059(16) 0
C1 0.0222(14) 0.0202(14) 0.0163(12) 0 0.0064(11) 0
C20 0.0240(10) 0.0273(11) 0.0227(10) -0.0012(8) 0.0057(8) 0.0018(8)
C14 0.0324(12) 0.0260(11) 0.0241(10) 0.0029(9) 0.0080(9) -0.0013(9)
C3 0.0233(10) 0.0225(10) 0.0280(10) 0.0034(8) 0.0032(8) 0.0017(8)
C17 0.0245(10) 0.0240(10) 0.0208(10) 0.0018(8) 0.0021(8) -0.0024(8)
C19 0.0244(10) 0.0271(10) 0.0230(10) -0.0010(9) 0.0064(8) 0.0016(9)
C4 0.0249(15) 0.0202(15) 0.0348(16) 0 0.0066(13) 0
C15 0.0349(12) 0.0241(11) 0.0268(11) 0.0000(9) 0.0101(9) 0.0041(9)
C12 0.0400(13) 0.0233(11) 0.0360(12) -0.0043(9) 0.0074(10) -0.0042(10)
C16 0.0219(10) 0.0271(11) 0.0210(10) 0.0003(8) 0.0041(8) -0.0027(8)
C10 0.0354(13) 0.0310(12) 0.0344(12) -0.0087(10) -0.0099(10) 0.0025(10)
C21 0.0198(9) 0.0262(11) 0.0194(9) -0.0001(8) 0.0023(8) -0.0012(8)
C13 0.0293(11) 0.0272(11) 0.0261(11) 0.0010(9) 0.0053(9) -0.0013(9)
C5 0.0222(10) 0.0235(10) 0.0200(9) 0.0025(8) 0.0027(8) 0.0027(8)
C2 0.0214(10) 0.0216(10) 0.0192(9) 0.0004(8) 0.0047(8) -0.0007(8)
C9 0.0238(10) 0.0288(11) 0.0235(10) -0.0046(9) 0.0026(8) 0.0003(9)
C7 0.0219(10) 0.0247(11) 0.0304(11) 0.0027(9) -0.0027(9) 0.0015(8)
C11 0.0375(13) 0.0295(12) 0.0470(14) -0.0122(11) -0.0052(11) -0.0058(10)
O3A 0.042(2) 0.191(6) 0.092(3) 0.007(4) -0.009(2) 0.027(3)
O4A 0.062(3) 0.067(2) 0.053(2) 0.0312(17) 0.0024(19) -0.0160(19)
O6A 0.149(4) 0.047(2) 0.092(3) -0.0332(19) 0.066(3) -0.047(3)
O5A 0.049(2) 0.0431(18) 0.058(2) -0.0064(13) 0.0146(19) -0.0013(18)

#------------------ MOLECULAR GEOMETRY --------------------------------------#

_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 2.0353(13) . ?
Zn1 N1 2.0944(17) . ?
Zn1 O1 2.1252(13) . ?
Zn1 N2 2.1780(17) . ?
Zn1 N3 2.3020(18) . ?
Zn1 N4 2.3068(18) 8 ?
Cl1 O5B 1.347(14) . ?
Cl1 O3A 1.400(4) . ?
Cl1 O6A 1.402(4) . ?
Cl1 O3B 1.405(13) . ?
Cl1 O6B 1.411(14) . ?
Cl1 O4B 1.447(12) . ?
Cl1 O5A 1.451(4) . ?
Cl1 O4A 1.454(3) . ?
N4 C23 1.341(3) . ?
N4 C24 1.346(3) . ?
N4 Zn1 2.3068(18) 8_456 ?
C24 C25 1.377(3) . ?
C25 C21 1.396(3) . ?
C23 C22 1.383(3) . ?
C22 C21 1.395(3) . ?
O2 Zn1 2.0353(13) 2_756 ?
O1 C1 1.313(3) . ?
O1 Zn1 2.1252(13) 2_756 ?
N3 C14 1.344(3) . ?
N3 C18 1.345(3) . ?
N1 C5 1.285(3) . ?
N1 C7 1.472(3) . ?
N2 C13 1.350(3) . ?
N2 C9 1.355(3) . ?
C8 C9 1.509(3) . ?
C8 C7 1.526(3) . ?
C18 C17 1.379(3) . ?
C6 C4 1.511(4) . ?
C1 C2 1.427(2) 2_756 ?
C1 C2 1.427(2) . ?
C20 C19 1.338(3) . ?
C20 C21 1.471(3) . ?
C14 C15 1.382(3) . ?
C3 C4 1.380(3) . ?
C3 C2 1.407(3) . ?
C17 C16 1.398(3) . ?
C19 C16 1.462(3) . ?
C4 C3 1.380(3) 2_756 ?
C15 C16 1.394(3) . ?
C12 C13 1.372(3) . ?
C12 C11 1.377(3) . ?
C10 C11 1.380(3) . ?
C10 C9 1.386(3) . ?
C5 C2 1.459(3) . ?

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 N1 166.34(6) . . ?
O2 Zn1 O1 79.72(6) . . ?
N1 Zn1 O1 86.72(6) . . ?
O2 Zn1 N2 101.27(7) . . ?
N1 Zn1 N2 92.26(7) . . ?
O1 Zn1 N2 178.64(5) . . ?
O2 Zn1 N3 93.59(5) . . ?
N1 Zn1 N3 88.08(6) . . ?
O1 Zn1 N3 90.10(4) . . ?
N2 Zn1 N3 90.77(6) . . ?
O2 Zn1 N4 92.33(4) . 8 ?
N1 Zn1 N4 86.56(6) . 8 ?
O1 Zn1 N4 92.60(4) . 8 ?
N2 Zn1 N4 86.44(6) . 8 ?
N3 Zn1 N4 173.85(6) . 8 ?
O5B Cl1 O3A 90.5(6) . . ?
O5B Cl1 O6A 120.2(6) . . ?
O3A Cl1 O6A 111.7(4) . . ?
O5B Cl1 O3B 114.5(7) . . ?
O3A Cl1 O3B 29.1(5) . . ?
O6A Cl1 O3B 84.8(5) . . ?
O5B Cl1 O6B 107.0(8) . . ?
O3A Cl1 O6B 96.0(5) . . ?
O6A Cl1 O6B 123.6(6) . . ?
O3B Cl1 O6B 103.0(8) . . ?
O5B Cl1 O4B 119.0(7) . . ?
O3A Cl1 O4B 133.8(5) . . ?
O6A Cl1 O4B 23.6(4) . . ?
O3B Cl1 O4B 105.3(6) . . ?
O6B Cl1 O4B 106.6(7) . . ?
O5B Cl1 O5A 111.4(6) . . ?
O3A Cl1 O5A 112.3(3) . . ?
O6A Cl1 O5A 109.5(2) . . ?
O3B Cl1 O5A 114.1(6) . . ?
O6B Cl1 O5A 17.4(5) . . ?
O4B Cl1 O5A 90.2(5) . . ?
O5B Cl1 O4A 19.3(5) . . ?
O3A Cl1 O4A 108.2(3) . . ?
O6A Cl1 O4A 105.1(3) . . ?
O3B Cl1 O4A 128.4(5) . . ?
O6B Cl1 O4A 111.5(6) . . ?
O4B Cl1 O4A 100.3(5) . . ?
O5A Cl1 O4A 109.7(3) . . ?
C23 N4 C24 116.31(17) . . ?
C23 N4 Zn1 118.47(13) . 8_456 ?
C24 N4 Zn1 124.73(13) . 8_456 ?
N4 C24 C25 123.90(19) . . ?
C24 C25 C21 119.71(19) . . ?
N4 C23 C22 123.59(19) . . ?
C23 C22 C21 119.92(19) . . ?
Zn1 O2 Zn1 103.24(9) 2_756 . ?
C1 O1 Zn1 131.34(4) . 2_756 ?
C1 O1 Zn1 131.34(4) . . ?
Zn1 O1 Zn1 97.31(8) 2_756 . ?
C14 N3 C18 116.17(18) . . ?
C14 N3 Zn1 122.13(13) . . ?
C18 N3 Zn1 121.41(13) . . ?
C5 N1 C7 116.12(17) . . ?
C5 N1 Zn1 127.06(14) . . ?
C7 N1 Zn1 116.82(13) . . ?
C13 N2 C9 117.59(18) . . ?
C13 N2 Zn1 118.45(14) . . ?
C9 N2 Zn1 123.84(14) . . ?
C9 C8 C7 114.23(18) . . ?
N3 C18 C17 123.97(19) . . ?
O1 C1 C2 121.43(12) . 2_756 ?
O1 C1 C2 121.43(12) . . ?
C2 C1 C2 117.1(2) 2_756 . ?
C19 C20 C21 126.2(2) . . ?
N3 C14 C15 123.49(19) . . ?
C4 C3 C2 123.4(2) . . ?
C18 C17 C16 119.88(19) . . ?
C20 C19 C16 124.8(2) . . ?
C3 C4 C3 116.6(3) 2_756 . ?
C3 C4 C6 121.68(13) 2_756 . ?
C3 C4 C6 121.68(13) . . ?
C14 C15 C16 120.3(2) . . ?
C13 C12 C11 118.8(2) . . ?
C15 C16 C17 116.18(18) . . ?
C15 C16 C19 120.18(19) . . ?
C17 C16 C19 123.61(19) . . ?
C11 C10 C9 120.5(2) . . ?
C22 C21 C25 116.58(19) . . ?
C22 C21 C20 119.06(18) . . ?
C25 C21 C20 124.36(18) . . ?
N2 C13 C12 123.7(2) . . ?
N1 C5 C2 127.85(18) . . ?
C3 C2 C1 119.67(19) . . ?
C3 C2 C5 114.88(18) . . ?
C1 C2 C5 125.40(19) . . ?
N2 C9 C10 121.0(2) . . ?
N2 C9 C8 118.25(18) . . ?
C10 C9 C8 120.75(19) . . ?
N1 C7 C8 112.41(17) . . ?
C12 C11 C10 118.4(2) . . ?