data_s93
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 Dr. C. Matthews
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C24 H28 Cl3 N12 O16 Zn2'
_chemical_formula_weight          977.67
 
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'
 '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'
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    P2(1)/c
_symmetry_space_group_name_hall   '-P 2ybc'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    20.502(4)
_cell_length_b                    11.575(2)
_cell_length_c                    15.431(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  107.67(2)
_cell_angle_gamma                 90.00
_cell_volume                      3489.2(12)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     7246
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Plate
_exptl_crystal_colour             Yellow
_exptl_crystal_size_max           0.16
_exptl_crystal_size_mid           0.14
_exptl_crystal_size_min           0.03
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.861
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1980
_exptl_absorpt_coefficient_mu     1.697
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.7730
_exptl_absorpt_correction_T_max   0.9509
_exptl_absorpt_process_details       'SADABS V2.10 (Sheldrick, G.M., 2003)'

_diffrn_ambient_temperature           120(2)
_diffrn_radiation_wavelength           0.71073
_diffrn_radiation_type                      MoK\a
_diffrn_radiation_source                  'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator    '10cm confocal mirrors'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method          'φ & ω scans'
_diffrn_detector_area_resol_mean   9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             37319
_diffrn_reflns_av_R_equivalents   0.1064
_diffrn_reflns_av_sigmaI/netI     0.0836
_diffrn_reflns_limit_h_min        -26
_diffrn_reflns_limit_h_max        26
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -19
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          2.92
_diffrn_reflns_theta_max          27.48
_reflns_number_total              7835
_reflns_number_gt                 5761
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0540P)²+36.0061P] where P=(Fo²+2Fc²)/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      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          7835
_refine_ls_number_parameters      546
_refine_ls_number_restraints      18
_refine_ls_R_factor_all           0.1130
_refine_ls_R_factor_gt            0.0821
_refine_ls_wR_factor_ref          0.2127
_refine_ls_wR_factor_gt           0.1963
_refine_ls_goodness_of_fit_ref    1.148
_refine_ls_restrained_S_all       1.146
_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
C1 C 0.0908(4) 0.3837(7) 0.1337(5) 0.0281(16) Uani 1 1 d . . .
H1 H 0.1191 0.4493 0.1544 0.034 Uiso 1 1 calc R . .
C2 C 0.0210(4) 0.3999(7) 0.0934(5) 0.0301(17) Uani 1 1 d . . .
H2 H 0.0016 0.4749 0.0897 0.036 Uiso 1 1 calc R . .
C3 C -0.0196(4) 0.3060(7) 0.0592(5) 0.0299(17) Uani 1 1 d . . .
H3 H -0.0672 0.3153 0.0293 0.036 Uiso 1 1 calc R . .
C4 C 0.0104(4) 0.1969(7) 0.0691(5) 0.0285(16) Uani 1 1 d . . .
H4 H -0.0166 0.1304 0.0471 0.034 Uiso 1 1 calc R . .
C5 C 0.0795(4) 0.1866(6) 0.1110(5) 0.0231(15) Uani 1 1 d . . .
C6 C 0.1158(4) 0.0736(6) 0.1231(5) 0.0220(14) Uani 1 1 d . . .
C7 C 0.2098(4) -0.0955(6) 0.0859(5) 0.0230(15) Uani 1 1 d . . .
C8 C 0.2498(3) -0.2062(6) 0.1094(5) 0.0235(15) Uani 1 1 d . . .
C9 C 0.2415(4) -0.2983(7) 0.0498(5) 0.0284(16) Uani 1 1 d . . .
H9 H 0.2100 -0.2944 -0.0097 0.034 Uiso 1 1 calc R . .
C10 C 0.2806(4) -0.3962(7) 0.0800(5) 0.0273(16) Uani 1 1 d . . .
H10 H 0.2758 -0.4613 0.0410 0.033 Uiso 1 1 calc R . .
C11 C 0.3261(4) -0.3996(7) 0.1658(5) 0.0254(15) Uani 1 1 d . . .
H11 H 0.3528 -0.4667 0.1874 0.030 Uiso 1 1 calc R . .
C12 C 0.3322(4) -0.3032(7) 0.2199(5) 0.0255(15) Uani 1 1 d . . .
C13 C 0.3820(4) -0.2931(6) 0.3146(5) 0.0235(15) Uani 1 1 d . . .
C14 C 0.4299(4) -0.3760(7) 0.3559(5) 0.0269(16) Uani 1 1 d . . .
H14 H 0.4317 -0.4478 0.3268 0.032 Uiso 1 1 calc R . .
C15 C 0.4742(4) -0.3521(7) 0.4389(5) 0.0286(16) Uani 1 1 d . . .
H15 H 0.5080 -0.4072 0.4684 0.034 Uiso 1 1 calc R . .
C16 C 0.4702(4) -0.2467(7) 0.4813(5) 0.0275(16) Uani 1 1 d . . .
H16 H 0.5009 -0.2291 0.5395 0.033 Uiso 1 1 calc R . .
C17 C 0.4207(3) -0.1695(6) 0.4365(5) 0.0231(15) Uani 1 1 d . . .
C18 C 0.4114(3) -0.0529(6) 0.4696(5) 0.0226(14) Uani 1 1 d . . .
C19 C 0.3202(4) 0.1806(7) 0.3679(5) 0.0254(15) Uani 1 1 d . . .
C20 C 0.3054(4) 0.3018(6) 0.3807(5) 0.0243(15) Uani 1 1 d . . .
C21 C 0.3371(4) 0.3615(7) 0.4616(5) 0.0267(16) Uani 1 1 d . . .
H21 H 0.3682 0.3223 0.5113 0.032 Uiso 1 1 calc R . .
C22 C 0.3234(4) 0.4759(7) 0.4690(5) 0.0278(16) Uani 1 1 d . . .
H22 H 0.3433 0.5170 0.5240 0.033 Uiso 1 1 calc R . .
C23 C 0.2799(4) 0.5298(7) 0.3939(6) 0.0296(17) Uani 1 1 d . . .
H23 H 0.2716 0.6104 0.3957 0.036 Uiso 1 1 calc R . .
C24 C 0.2481(4) 0.4678(7) 0.3160(5) 0.0273(16) Uani 1 1 d . . .
H24 H 0.2167 0.5056 0.2658 0.033 Uiso 1 1 calc R . .
N1 N 0.1194(3) 0.2790(6) 0.1441(4) 0.0261(13) Uani 1 1 d . . .
N2 N 0.0803(3) -0.0212(6) 0.1202(4) 0.0264(14) Uani 1 1 d . . .
H2A H 0.1008 -0.0889 0.1271 0.032 Uiso 1 1 calc R . .
H2B H 0.0359 -0.0173 0.1114 0.032 Uiso 1 1 calc R . .
N3 N 0.1820(3) 0.0814(5) 0.1357(4) 0.0226(12) Uani 1 1 d . . .
N4 N 0.2202(3) -0.0224(5) 0.1538(4) 0.0216(12) Uani 1 1 d . . .
N5 N 0.1666(3) -0.0827(6) 0.0033(4) 0.0252(13) Uani 1 1 d . . .
H5A H 0.1412 -0.0200 -0.0105 0.030 Uiso 1 1 calc R . .
H5B H 0.1631 -0.1368 -0.0379 0.030 Uiso 1 1 calc R . .
N6 N 0.2950(3) -0.2086(5) 0.1935(4) 0.0210(12) Uani 1 1 d . . .
N7 N 0.3764(3) -0.1938(5) 0.3539(4) 0.0240(13) Uani 1 1 d . . .
N8 N 0.4425(3) -0.0212(6) 0.5543(4) 0.0265(14) Uani 1 1 d . . .
H8A H 0.4369 0.0493 0.5723 0.032 Uiso 1 1 calc R . .
H8B H 0.4688 -0.0705 0.5928 0.032 Uiso 1 1 calc R . .
N9 N 0.3712(3) 0.0132(5) 0.4071(4) 0.0244(13) Uani 1 1 d . . .
N10 N 0.3619(3) 0.1249(5) 0.4350(4) 0.0243(13) Uani 1 1 d . . .
N11 N 0.2919(3) 0.1373(5) 0.2867(3) 0.0139(11) Uani 1 1 d . . .
N12 N 0.2610(3) 0.3535(5) 0.3101(4) 0.0250(13) Uani 1 1 d . . .
O1 O 0.2698(3) 0.3122(5) 0.1171(4) 0.0275(11) Uani 1 1 d D . .
O11 O 0.3803(3) -0.0060(5) 0.2052(4) 0.0271(11) Uani 1 1 d D . .
O12 O 0.2332(3) -0.0825(5) 0.3463(4) 0.0279(12) Uani 1 1 d D . .
Zn1 Zn 0.22183(4) 0.23783(7) 0.20037(6) 0.0224(2) Uani 1 1 d D . .
Zn2 Zn 0.30715(4) -0.05099(7) 0.27855(5) 0.0219(2) Uani 1 1 d D . .
H1A H 0.258(10) 0.37(2) 0.08(2) 0.4(2) Uiso 1 1 d D . .
H1B H 0.308(3) 0.292(9) 0.113(8) 0.09(5) Uiso 1 1 d D . .
H11A H 0.390(3) 0.065(2) 0.208(4) 0.012(18) Uiso 1 1 d D . .
H11B H 0.4189(17) -0.038(5) 0.227(5) 0.05(3) Uiso 1 1 d D . .
H12A H 0.207(4) -0.028(4) 0.351(6) 0.06(3) Uiso 1 1 d D . .
H12B H 0.209(4) -0.143(5) 0.336(7) 0.09(5) Uiso 1 1 d D . .
O31 O 0.1587(3) 0.7160(5) 0.3325(4) 0.0405(15) Uani 1 1 d . . .
O32 O 0.0719(3) 0.5923(5) 0.2518(4) 0.0442(15) Uani 1 1 d . . .
O33 O 0.1252(4) 0.7152(7) 0.1734(5) 0.0569(19) Uani 1 1 d . . .
O34 O 0.0534(3) 0.7916(6) 0.2482(5) 0.0474(16) Uani 1 1 d . . .
Cl31 Cl 0.10101(10) 0.70391(16) 0.24994(12) 0.0284(4) Uani 1 1 d . . .
O41 O 0.1460(3) 0.0418(5) 0.4658(4) 0.0391(14) Uani 1 1 d . . .
O42 O 0.1855(3) 0.2303(6) 0.4498(4) 0.0453(16) Uani 1 1 d . . .
O43 O 0.0699(3) 0.1876(6) 0.3934(5) 0.0436(15) Uani 1 1 d . . .
O44 O 0.1453(4) 0.1109(7) 0.3218(4) 0.057(2) Uani 1 1 d . . .
Cl41 Cl 0.13618(9) 0.14182(18) 0.40777(12) 0.0309(4) Uani 1 1 d . . .
O51 O 0.5029(3) 0.1986(6) 0.2974(4) 0.0418(15) Uani 1 1 d . . .
O52 O 0.4945(3) 0.3709(5) 0.2154(4) 0.0419(15) Uani 1 1 d . . .
O53 O 0.4062(3) 0.2362(6) 0.1740(4) 0.0400(14) Uani 1 1 d . . .
O54 O 0.4260(3) 0.3428(5) 0.3105(4) 0.0362(13) Uani 1 1 d . . .
Cl51 Cl 0.45791(9) 0.28798(15) 0.25100(12) 0.0242(4) Uani 1 1 d . . .
O61 O 0.0616(3) 0.4362(5) 0.3895(4) 0.0325(12) Uani 1 1 d D . .
H61A H 0.054(8) 0.365(3) 0.383(7) 0.12(6) Uiso 1 1 d D . .
H61B H 0.069(4) 0.461(6) 0.342(3) 0.02(2) Uiso 1 1 d D . .
 
 
_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 N1 1.335(10) . ?
C1 C2 1.388(11) . ?
C1 H1 0.9500 . ?
C2 C3 1.373(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.393(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(10) . ?
C4 H4 0.9500 . ?
C5 N1 1.349(9) . ?
C5 C6 1.489(10) . ?
C6 N2 1.311(9) . ?
C6 N3 1.314(9) . ?
C7 N4 1.313(9) . ?
C7 N5 1.322(9) . ?
C7 C8 1.505(10) . ?
C8 N6 1.346(9) . ?
C8 C9 1.384(11) . ?
C9 C10 1.384(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.376(11) . ?
C11 H11 0.9500 . ?
C12 N6 1.325(10) . ?
C12 C13 1.512(10) . ?
C13 N7 1.321(10) . ?
C13 C14 1.382(10) . ?
C14 C15 1.356(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.399(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.372(10) . ?
C16 H16 0.9500 . ?
C17 N7 1.351(9) . ?
C17 C18 1.476(10) . ?
C18 N9 1.309(9) . ?
C18 N8 1.321(9) . ?
C19 N10 1.296(10) . ?
C19 N11 1.311(9) . ?
C19 C20 1.461(11) . ?
C20 N12 1.332(9) . ?
C20 C21 1.402(11) . ?
C21 C22 1.366(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(11) . ?
C23 H23 0.9500 . ?
C24 N12 1.357(10) . ?
C24 H24 0.9500 . ?
N1 Zn1 2.070(6) . ?
N2 H2A 0.8800 . ?
N2 H2B 0.8800 . ?
N3 N4 1.415(8) . ?
N3 Zn1 2.109(6) . ?
N4 Zn2 2.216(6) . ?
N5 H5A 0.8800 . ?
N5 H5B 0.8800 . ?
N6 Zn2 2.217(6) . ?
N7 Zn2 2.258(6) . ?
N8 H8A 0.8800 . ?
N8 H8B 0.8800 . ?
N9 N10 1.394(9) . ?
N9 Zn2 2.151(6) . ?
N11 Zn1 2.008(5) . ?
N11 Zn2 2.210(5) . ?
N12 Zn1 2.116(6) . ?
O1 Zn1 2.032(5) . ?
O1 H1A 0.841(19) . ?
O1 H1B 0.847(19) . ?
O11 Zn2 2.198(5) . ?
O11 H11A 0.848(19) . ?
O11 H11B 0.85(2) . ?
O12 Zn2 2.117(5) . ?
O12 H12A 0.845(19) . ?
O12 H12B 0.84(2) . ?
O31 Cl31 1.459(6) . ?
O32 Cl31 1.428(6) . ?
O33 Cl31 1.420(7) . ?
O34 Cl31 1.403(7) . ?
O41 Cl41 1.440(6) . ?
O42 Cl41 1.446(7) . ?
O43 Cl41 1.412(6) . ?
O44 Cl41 1.440(6) . ?
O51 Cl51 1.426(6) . ?
O52 Cl51 1.427(6) . ?
O53 Cl51 1.460(6) . ?
O54 Cl51 1.428(6) . ?
O61 H61A 0.84(2) . ?
O61 H61B 0.84(2) . ?
 
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
N1 C1 C2 122.1(7) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 119.2(7) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 118.6(7) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 119.3(7) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 122.0(7) . . ?
N1 C5 C6 115.2(6) . . ?
C4 C5 C6 122.8(7) . . ?
N2 C6 N3 127.0(7) . . ?
N2 C6 C5 118.7(6) . . ?
N3 C6 C5 114.4(6) . . ?
N4 C7 N5 126.6(7) . . ?
N4 C7 C8 114.3(6) . . ?
N5 C7 C8 119.0(6) . . ?
N6 C8 C9 122.3(7) . . ?
N6 C8 C7 114.6(6) . . ?
C9 C8 C7 123.2(7) . . ?
C8 C9 C10 117.7(7) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 H9 121.1 . . ?
C11 C10 C9 120.2(7) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 118.2(7) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
N6 C12 C11 123.1(7) . . ?
N6 C12 C13 112.9(6) . . ?
C11 C12 C13 124.0(7) . . ?
N7 C13 C14 122.7(7) . . ?
N7 C13 C12 112.6(6) . . ?
C14 C13 C12 124.7(7) . . ?
C15 C14 C13 118.2(7) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C14 C15 C16 120.2(7) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 118.2(7) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
N7 C17 C16 121.5(7) . . ?
N7 C17 C18 113.4(6) . . ?
C16 C17 C18 125.1(7) . . ?
N9 C18 N8 125.1(7) . . ?
N9 C18 C17 113.4(6) . . ?
N8 C18 C17 121.5(7) . . ?
N10 C19 N11 124.5(7) . . ?
N10 C19 C20 118.9(7) . . ?
N11 C19 C20 116.5(7) . . ?
N12 C20 C21 121.6(7) . . ?
N12 C20 C19 116.1(7) . . ?
C21 C20 C19 122.3(7) . . ?
C22 C21 C20 120.1(7) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 117.7(7) . . ?
C21 C22 H22 121.1 . . ?
C23 C22 H22 121.1 . . ?
C22 C23 C24 120.6(7) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
N12 C24 C23 121.0(7) . . ?
N12 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C1 N1 C5 118.7(6) . . ?
C1 N1 Zn1 127.8(5) . . ?
C5 N1 Zn1 113.4(5) . . ?
C6 N2 H2A 120.0 . . ?
C6 N2 H2B 120.0 . . ?
H2A N2 H2B 120.0 . . ?
C6 N3 N4 117.1(6) . . ?
C6 N3 Zn1 111.3(5) . . ?
N4 N3 Zn1 121.6(4) . . ?
C7 N4 N3 116.4(6) . . ?
C7 N4 Zn2 119.3(5) . . ?
N3 N4 Zn2 123.3(4) . . ?
C7 N5 H5A 120.0 . . ?
C7 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C12 N6 C8 118.5(6) . . ?
C12 N6 Zn2 123.2(5) . . ?
C8 N6 Zn2 118.3(5) . . ?
C13 N7 C17 119.2(6) . . ?
C13 N7 Zn2 122.0(5) . . ?
C17 N7 Zn2 118.1(5) . . ?
C18 N8 H8A 120.0 . . ?
C18 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
C18 N9 N10 115.3(6) . . ?
C18 N9 Zn2 123.3(5) . . ?
N10 N9 Zn2 120.2(4) . . ?
C19 N10 N9 109.5(6) . . ?
C19 N11 Zn1 115.6(5) . . ?
C19 N11 Zn2 113.7(5) . . ?
Zn1 N11 Zn2 128.2(2) . . ?
C20 N12 C24 118.9(7) . . ?
C20 N12 Zn1 111.6(5) . . ?
C24 N12 Zn1 129.5(5) . . ?
Zn1 O1 H1A 129(4) . . ?
Zn1 O1 H1B 125(4) . . ?
H1A O1 H1B 106(4) . . ?
Zn2 O11 H11A 113(3) . . ?
Zn2 O11 H11B 114(3) . . ?
H11A O11 H11B 103(4) . . ?
Zn2 O12 H12A 119(4) . . ?
Zn2 O12 H12B 122(4) . . ?
H12A O12 H12B 106(4) . . ?
N11 Zn1 O1 106.2(2) . . ?
N11 Zn1 N1 147.4(2) . . ?
O1 Zn1 N1 105.1(2) . . ?
N11 Zn1 N3 85.0(2) . . ?
O1 Zn1 N3 104.9(2) . . ?
N1 Zn1 N3 78.5(2) . . ?
N11 Zn1 N12 79.3(2) . . ?
O1 Zn1 N12 95.7(2) . . ?
N1 Zn1 N12 106.3(2) . . ?
N3 Zn1 N12 157.0(2) . . ?
O12 Zn2 N9 86.1(2) . . ?
O12 Zn2 O11 175.8(2) . . ?
N9 Zn2 O11 94.1(2) . . ?
O12 Zn2 N11 90.4(2) . . ?
N9 Zn2 N11 70.4(2) . . ?
O11 Zn2 N11 85.7(2) . . ?
O12 Zn2 N4 87.0(2) . . ?
N9 Zn2 N4 148.7(2) . . ?
O11 Zn2 N4 90.7(2) . . ?
N11 Zn2 N4 79.1(2) . . ?
O12 Zn2 N6 100.5(2) . . ?
N9 Zn2 N6 139.2(2) . . ?
O11 Zn2 N6 82.0(2) . . ?
N11 Zn2 N6 148.5(2) . . ?
N4 Zn2 N6 72.1(2) . . ?
O12 Zn2 N7 92.9(2) . . ?
N9 Zn2 N7 70.5(2) . . ?
O11 Zn2 N7 91.1(2) . . ?
N11 Zn2 N7 140.4(2) . . ?
N4 Zn2 N7 140.4(2) . . ?
N6 Zn2 N7 69.0(2) . . ?
O34 Cl31 O33 109.6(5) . . ?
O34 Cl31 O32 111.2(4) . . ?
O33 Cl31 O32 110.7(4) . . ?
O34 Cl31 O31 108.8(4) . . ?
O33 Cl31 O31 108.8(4) . . ?
O32 Cl31 O31 107.6(4) . . ?
O43 Cl41 O41 110.2(4) . . ?
O43 Cl41 O44 109.6(4) . . ?
O41 Cl41 O44 109.9(4) . . ?
O43 Cl41 O42 108.2(4) . . ?
O41 Cl41 O42 110.1(4) . . ?
O44 Cl41 O42 108.7(5) . . ?
O51 Cl51 O52 110.2(4) . . ?
O51 Cl51 O54 110.6(4) . . ?
O52 Cl51 O54 110.3(4) . . ?
O51 Cl51 O53 108.1(4) . . ?
O52 Cl51 O53 107.4(4) . . ?
O54 Cl51 O53 110.2(4) . . ?
H61A O61 H61B 108(5) . . ?
 
_diffrn_measured_fraction_theta_max    0.981
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.981
_refine_diff_density_max    1.075
_refine_diff_density_min   -0.771
_refine_diff_density_rms    0.163
