 
data_4

# start Validation Reply Form
_vrf_PLAT232_4
;
PROBLEM: Hirshfeld Test Diff (M-X) Zn       --O4        .       14.9 s.u.  
RESPONSE: Inspection of the thermal ellipsoids does not 
          indicate any problem and atom identities are correct
;
# end Validation Reply Form

 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          
 'C38 H36 Cl4 Cu2 N8 O12 Zn2' 
_chemical_formula_sum
 'C38 H36 Cl4 Cu2 N8 O12 Zn2' 
_chemical_formula_weight          1196.37

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'
 'Cu'  'Cu'   0.3201   1.2651
 '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'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 21/c'
_space_group_name_Hall            '-P 2ybc'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    10.0800(4)
_cell_length_b                    17.9664(8)
_cell_length_c                    12.4991(6)
_cell_angle_alpha                 90
_cell_angle_beta                  96.773(2)
_cell_angle_gamma                 90
_cell_volume                      2247.81(17)
_cell_formula_units_Z             2
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     2586
_cell_measurement_theta_min       2.10
_cell_measurement_theta_max       24.30
 
_exptl_crystal_description        'block'
_exptl_crystal_colour             green
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.768          
_exptl_crystal_F_000              1204
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_exptl_absorpt_coefficient_mu     2.295
_exptl_absorpt_correction_type    'MULTI-SCAN'
_exptl_absorpt_correction_T_min      0.444
_exptl_absorpt_correction_T_max      0.623 
_exptl_absorpt_process_details    'BRUKER SADABS'

_exptl_absorpt_special_details    
 'Bruker (2001). Sadabs. Bruker AXS Inc., Madison, Wisconsin, USA'

_diffrn_ambient_temperature       296(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   'BRUKER SMART APEX CCD DIFFRACTOMETER' 
_diffrn_measurement_method        'OMEGA-PHI SCAN'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             24392
_diffrn_reflns_av_unetI/netI      0.0268
_diffrn_reflns_av_R_equivalents   0.0398
_diffrn_reflns_limit_h_min        -9
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_l_min        -14
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_theta_min          1.994
_diffrn_reflns_theta_max          25.097
_diffrn_reflns_theta_full         25.097
_diffrn_measured_fraction_theta_max   0.993
_diffrn_measured_fraction_theta_full  0.993
_diffrn_reflns_Laue_measured_fraction_max    0.993
_diffrn_reflns_Laue_measured_fraction_full   0.993
_diffrn_reflns_point_group_measured_fraction_max   0.993
_diffrn_reflns_point_group_measured_fraction_full  0.993
_reflns_number_total              3970
_reflns_number_gt                 3302
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        'BRUKER SMART' 
_computing_cell_refinement        'BRUKER SMART' 
_computing_data_reduction         'BRUKER SAINT' 
_computing_structure_solution     'SHELX97 (Sheldrick, 2008)'
_computing_structure_refinement   'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     'Ortep3 for Windows (Farrugia,1997)'
_computing_publication_material   'Wingx 2013.3 (Farrugia, 2012)'

_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0426P)²+2.2400P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          3970
_refine_ls_number_parameters      300
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0427
_refine_ls_R_factor_gt            0.0330
_refine_ls_wR_factor_ref          0.0879
_refine_ls_wR_factor_gt           0.0826
_refine_ls_goodness_of_fit_ref    1.030
_refine_ls_restrained_S_all       1.030
_refine_ls_shift/su_max           0.002
_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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Cu Cu 0.67107(4) 0.87455(2) 0.08666(3) 0.03679(13) Uani 1 1 d . . . . .
Zn Zn 0.63867(4) 1.02802(2) 0.18857(3) 0.03898(13) Uani 1 1 d . . . . .
N1 N 0.5887(3) 0.77844(14) 0.1027(2) 0.0367(6) Uani 1 1 d . . . . .
N2 N 0.8147(3) 0.83648(15) 0.0063(2) 0.0413(7) Uani 1 1 d . . . . .
N3 N 0.4370(3) 1.12122(17) 0.1588(3) 0.0546(8) Uani 1 1 d . . . . .
N4 N 0.8218(4) 1.0851(2) 0.3258(3) 0.0723(10) Uani 1 1 d . . . . .
O1 O 0.5745(2) 0.92121(11) 0.19529(18) 0.0420(5) Uani 1 1 d . . . . .
O2 O 0.7238(2) 0.97653(11) 0.07047(17) 0.0384(5) Uani 1 1 d . . . . .
O3 O 0.4951(3) 1.09762(14) 0.0832(2) 0.0541(6) Uani 1 1 d . . . . .
O4 O 0.4819(3) 1.09420(15) 0.2468(2) 0.0640(7) Uani 1 1 d . . . . .
O5 O 0.7966(3) 1.10770(16) 0.2308(3) 0.0668(8) Uani 1 1 d . . . . .
O6 O 0.7488(3) 1.03218(18) 0.3460(2) 0.0751(9) Uani 1 1 d . . . . .
Cl1 Cl 0.20921(11) 0.78563(6) 0.47150(9) 0.0670(3) Uani 1 1 d . . . . .
Cl2 Cl 1.00618(11) 1.10095(7) -0.27205(9) 0.0684(3) Uani 1 1 d . . . . .
C1 C 0.4914(3) 0.88948(17) 0.2573(3) 0.0367(7) Uani 1 1 d . . . . .
C2 C 0.4411(4) 0.93041(19) 0.3390(3) 0.0476(9) Uani 1 1 d . . . . .
H2 H 0.4674 0.9797 0.3503 0.057 Uiso 1 1 calc R U . . .
C3 C 0.3536(4) 0.8993(2) 0.4031(3) 0.0483(9) Uani 1 1 d . . . . .
H3 H 0.3205 0.9276 0.4564 0.058 Uiso 1 1 calc R U . . .
C4 C 0.3153(3) 0.82601(19) 0.3879(3) 0.0444(8) Uani 1 1 d . . . . .
C5 C 0.3614(3) 0.78428(18) 0.3086(3) 0.0417(8) Uani 1 1 d . . . . .
H5 H 0.3332 0.7352 0.2982 0.050 Uiso 1 1 calc R U . . .
C6 C 0.4513(3) 0.81508(17) 0.2424(3) 0.0352(7) Uani 1 1 d . . . . .
C7 C 0.4998(3) 0.76526(17) 0.1654(3) 0.0374(7) Uani 1 1 d . . . . .
H7 H 0.4621 0.7180 0.1607 0.045 Uiso 1 1 calc R U . . .
C8 C 0.6284(4) 0.71672(19) 0.0375(3) 0.0463(8) Uani 1 1 d . . . . .
H8A H 0.6040 0.7282 -0.0381 0.056 Uiso 1 1 calc R U . . .
H8B H 0.5801 0.6723 0.0541 0.056 Uiso 1 1 calc R U . . .
C9 C 0.7785(3) 0.70133(17) 0.0572(3) 0.0407(8) Uani 1 1 d . . . . .
C10 C 0.8068(5) 0.6242(2) 0.0136(5) 0.0885(17) Uani 1 1 d . . . . .
H10A H 0.7715 0.6213 -0.0610 0.133 Uiso 1 1 calc R U . . .
H10B H 0.7652 0.5870 0.0536 0.133 Uiso 1 1 calc R U . . .
H10C H 0.9015 0.6159 0.0208 0.133 Uiso 1 1 calc R U . . .
C11 C 0.8289(5) 0.7030(3) 0.1775(4) 0.0782(14) Uani 1 1 d . . . . .
H11A H 0.9209 0.6881 0.1881 0.117 Uiso 1 1 calc R U . . .
H11B H 0.7767 0.6694 0.2152 0.117 Uiso 1 1 calc R U . . .
H11C H 0.8205 0.7525 0.2047 0.117 Uiso 1 1 calc R U . . .
C12 C 0.8539(5) 0.7569(2) -0.0020(4) 0.0749(14) Uani 1 1 d . . . . .
H12A H 0.9480 0.7525 0.0243 0.090 Uiso 1 1 calc R U . . .
H12B H 0.8437 0.7433 -0.0776 0.090 Uiso 1 1 calc R U . . .
C13 C 0.8763(3) 0.87879(18) -0.0532(3) 0.0390(7) Uani 1 1 d . . . . .
H13 H 0.9402 0.8558 -0.0899 0.047 Uiso 1 1 calc R U . . .
C14 C 0.8597(3) 0.95749(17) -0.0708(2) 0.0333(7) Uani 1 1 d . . . . .
C15 C 0.9272(3) 0.98880(19) -0.1520(3) 0.0398(8) Uani 1 1 d . . . . .
H15 H 0.9779 0.9586 -0.1919 0.048 Uiso 1 1 calc R U . . .
C16 C 0.9190(3) 1.0632(2) -0.1726(3) 0.0438(8) Uani 1 1 d . . . . .
C17 C 0.8448(3) 1.10913(19) -0.1140(3) 0.0433(8) Uani 1 1 d . . . . .
H17 H 0.8396 1.1598 -0.1288 0.052 Uiso 1 1 calc R U . . .
C18 C 0.7788(3) 1.07970(17) -0.0339(3) 0.0390(7) Uani 1 1 d . . . . .
H18 H 0.7288 1.1110 0.0051 0.047 Uiso 1 1 calc R U . . .
C19 C 0.7850(3) 1.00401(17) -0.0095(2) 0.0323(7) Uani 1 1 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
Cu O2 1.925(2) . ?
Cu N1 1.937(3) . ?
Cu O1 1.951(2) . ?
Cu N2 1.979(3) . ?
Cu Zn 3.0709(5) . ?
Zn O2 2.018(2) . ?
Zn O1 2.030(2) . ?
Zn O6 2.143(3) . ?
Zn O5 2.160(3) . ?
Zn O4 2.171(3) . ?
Zn O3 2.223(3) . ?
N1 C7 1.279(4) . ?
N1 C8 1.460(4) . ?
N2 C13 1.274(4) . ?
N2 C12 1.490(4) . ?
N3 O4 1.238(4) . ?
N3 O3 1.243(4) . ?
N4 O6 1.246(5) . ?
N4 O5 1.252(5) . ?
O1 C1 1.334(4) . ?
O2 C19 1.330(4) . ?
Cl1 C4 1.740(3) . ?
Cl2 C16 1.742(3) . ?
C1 C2 1.402(5) . ?
C1 C6 1.402(4) . ?
C2 C3 1.378(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.367(5) . ?
C5 C6 1.410(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.441(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.529(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C12 1.501(5) . ?
C9 C10 1.528(5) . ?
C9 C11 1.529(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.438(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.405(4) . ?
C14 C19 1.410(4) . ?
C15 C16 1.361(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.381(5) . ?
C17 C18 1.373(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.393(4) . ?
C18 H18 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
O2 Cu N1 170.61(10) . . ?
O2 Cu O1 80.27(9) . . ?
N1 Cu O1 93.19(10) . . ?
O2 Cu N2 92.73(10) . . ?
N1 Cu N2 95.33(11) . . ?
O1 Cu N2 163.11(11) . . ?
O2 Cu Zn 39.94(6) . . ?
N1 Cu Zn 133.60(8) . . ?
O1 Cu Zn 40.47(6) . . ?
N2 Cu Zn 129.85(8) . . ?
O2 Zn O1 76.23(8) . . ?
O2 Zn O6 117.93(11) . . ?
O1 Zn O6 97.36(11) . . ?
O2 Zn O5 96.77(10) . . ?
O1 Zn O5 147.75(11) . . ?
O6 Zn O5 57.67(12) . . ?
O2 Zn O4 152.37(10) . . ?
O1 Zn O4 104.82(10) . . ?
O6 Zn O4 89.53(12) . . ?
O5 Zn O4 95.72(11) . . ?
O2 Zn O3 97.36(9) . . ?
O1 Zn O3 111.58(10) . . ?
O6 Zn O3 138.99(11) . . ?
O5 Zn O3 100.47(11) . . ?
O4 Zn O3 56.07(10) . . ?
O2 Zn Cu 37.78(6) . . ?
O1 Zn Cu 38.59(6) . . ?
O6 Zn Cu 110.07(9) . . ?
O5 Zn Cu 125.82(8) . . ?
O4 Zn Cu 138.43(8) . . ?
O3 Zn Cu 110.67(7) . . ?
C7 N1 C8 117.3(3) . . ?
C7 N1 Cu 124.6(2) . . ?
C8 N1 Cu 118.0(2) . . ?
C13 N2 C12 112.4(3) . . ?
C13 N2 Cu 121.7(2) . . ?
C12 N2 Cu 125.6(2) . . ?
O4 N3 O3 112.7(3) . . ?
O6 N4 O5 112.4(3) . . ?
C1 O1 Cu 128.29(19) . . ?
C1 O1 Zn 130.76(19) . . ?
Cu O1 Zn 100.95(9) . . ?
C19 O2 Cu 126.21(18) . . ?
C19 O2 Zn 130.89(18) . . ?
Cu O2 Zn 102.28(9) . . ?
N3 O3 Zn 94.2(2) . . ?
N3 O4 Zn 96.9(2) . . ?
N4 O5 Zn 94.5(3) . . ?
N4 O6 Zn 95.5(3) . . ?
O1 C1 C2 120.3(3) . . ?
O1 C1 C6 121.4(3) . . ?
C2 C1 C6 118.3(3) . . ?
C3 C2 C1 121.5(3) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 119.7(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 Cl1 119.5(3) . . ?
C3 C4 Cl1 119.8(3) . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.4(3) . . ?
C1 C6 C7 124.4(3) . . ?
C5 C6 C7 116.1(3) . . ?
N1 C7 C6 127.6(3) . . ?
N1 C7 H7 116.2 . . ?
C6 C7 H7 116.2 . . ?
N1 C8 C9 112.2(3) . . ?
N1 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
N1 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C12 C9 C10 107.5(3) . . ?
C12 C9 C11 110.1(4) . . ?
C10 C9 C11 108.3(4) . . ?
C12 C9 C8 110.4(3) . . ?
C10 C9 C8 109.2(3) . . ?
C11 C9 C8 111.3(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C9 116.8(3) . . ?
N2 C12 H12A 108.1 . . ?
C9 C12 H12A 108.1 . . ?
N2 C12 H12B 108.1 . . ?
C9 C12 H12B 108.1 . . ?
H12A C12 H12B 107.3 . . ?
N2 C13 C14 128.3(3) . . ?
N2 C13 H13 115.8 . . ?
C14 C13 H13 115.8 . . ?
C15 C14 C19 119.4(3) . . ?
C15 C14 C13 116.5(3) . . ?
C19 C14 C13 124.1(3) . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.8(3) . . ?
C15 C16 Cl2 119.5(3) . . ?
C17 C16 Cl2 119.7(3) . . ?
C18 C17 C16 119.8(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 121.5(3) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
O2 C19 C18 120.9(3) . . ?
O2 C19 C14 120.8(3) . . ?
C18 C19 C14 118.2(3) . . ?
 
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
O4 N3 O3 Zn -2.2(3) . . . . ?
O3 N3 O4 Zn 2.3(3) . . . . ?
O6 N4 O5 Zn 0.2(4) . . . . ?
O5 N4 O6 Zn -0.2(4) . . . . ?
Cu O1 C1 C2 173.5(2) . . . . ?
Zn O1 C1 C2 -5.1(5) . . . . ?
Cu O1 C1 C6 -6.9(4) . . . . ?
Zn O1 C1 C6 174.5(2) . . . . ?
O1 C1 C2 C3 179.0(3) . . . . ?
C6 C1 C2 C3 -0.6(5) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C2 C3 C4 C5 -1.2(5) . . . . ?
C2 C3 C4 Cl1 177.9(3) . . . . ?
C3 C4 C5 C6 1.4(5) . . . . ?
Cl1 C4 C5 C6 -177.7(2) . . . . ?
O1 C1 C6 C5 -178.9(3) . . . . ?
C2 C1 C6 C5 0.7(5) . . . . ?
O1 C1 C6 C7 3.6(5) . . . . ?
C2 C1 C6 C7 -176.8(3) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
C4 C5 C6 C7 176.6(3) . . . . ?
C8 N1 C7 C6 175.3(3) . . . . ?
Cu N1 C7 C6 -5.9(5) . . . . ?
C1 C6 C7 N1 3.2(5) . . . . ?
C5 C6 C7 N1 -174.4(3) . . . . ?
C7 N1 C8 C9 -122.7(3) . . . . ?
Cu N1 C8 C9 58.4(3) . . . . ?
N1 C8 C9 C12 -78.5(4) . . . . ?
N1 C8 C9 C10 163.6(3) . . . . ?
N1 C8 C9 C11 44.0(4) . . . . ?
C13 N2 C12 C9 -174.8(4) . . . . ?
Cu N2 C12 C9 -0.8(6) . . . . ?
C10 C9 C12 N2 164.7(4) . . . . ?
C11 C9 C12 N2 -77.5(5) . . . . ?
C8 C9 C12 N2 45.7(5) . . . . ?
C12 N2 C13 C14 176.3(4) . . . . ?
Cu N2 C13 C14 2.1(5) . . . . ?
N2 C13 C14 C15 -171.4(3) . . . . ?
N2 C13 C14 C19 11.0(5) . . . . ?
C19 C14 C15 C16 -1.1(5) . . . . ?
C13 C14 C15 C16 -178.8(3) . . . . ?
C14 C15 C16 C17 0.3(5) . . . . ?
C14 C15 C16 Cl2 178.8(2) . . . . ?
C15 C16 C17 C18 0.1(5) . . . . ?
Cl2 C16 C17 C18 -178.4(3) . . . . ?
C16 C17 C18 C19 0.2(5) . . . . ?
Cu O2 C19 C18 158.2(2) . . . . ?
Zn O2 C19 C18 -11.2(4) . . . . ?
Cu O2 C19 C14 -22.9(4) . . . . ?
Zn O2 C19 C14 167.7(2) . . . . ?
C17 C18 C19 O2 178.0(3) . . . . ?
C17 C18 C19 C14 -1.0(5) . . . . ?
C15 C14 C19 O2 -177.6(3) . . . . ?
C13 C14 C19 O2 0.0(5) . . . . ?
C15 C14 C19 C18 1.4(4) . . . . ?
C13 C14 C19 C18 178.9(3) . . . . ?
 
_refine_diff_density_max    0.716
_refine_diff_density_min   -0.348
_refine_diff_density_rms    0.066



