#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:43:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179455 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/52/4335218.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4335218
loop_
_publ_author_name
'Wah-Leung Tong'
'Shek-Man Yiu'
'Michael C. W. Chan'
_publ_section_title
;
 Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures:
 Luminescent Properties and Ion-Selective Responses
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7114
_journal_page_last               7124
_journal_paper_doi               10.1021/ic400692x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         '2(C34 H34 N2 O2 Zn), 2(C H2 Cl2)'
_chemical_formula_sum            'C70 H72 Cl4 N4 O4 Zn2'
_chemical_formula_weight         1305.86
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-03-23
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.578(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1686(7)
_cell_length_b                   24.5323(9)
_cell_length_c                   11.6177(6)
_cell_measurement_reflns_used    9577
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      71.5592
_cell_measurement_theta_min      3.9914
_cell_volume                     3153.9(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega   25.00   50.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   37.0000  -60.0000 25

  2 omega  -20.00   20.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000   37.0000  -60.0000 40

  3 omega   -3.00   40.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000 -105.0000  132.0000 43

  4 omega -112.00  -19.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  125.0000 -120.0000 93

  5 omega   41.00  121.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000   77.0000   90.0000 80

  6 omega   89.00  114.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000   77.0000   60.0000 25

  7 omega   31.00   57.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000   77.0000   60.0000 26

  8 omega  -83.00    1.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.0000   50.0000 -120.0000 84

  9 omega   44.00   70.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000    0.0000 26

 10 omega   37.00   62.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000   30.0000 25

 11 omega   39.00   69.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000   90.0000 30

 12 omega   43.00   81.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000  120.0000 38

 13 omega   40.00   65.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000    0.0000 25

 14 omega   46.00   77.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000  -60.0000 31

 15 omega   41.00   68.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000 -120.0000 27

 16 omega   37.00   62.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000 -150.0000 25

 17 omega   37.00   62.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000  120.0000 25

 18 omega   40.00   65.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000   30.0000 25

 19 omega   88.00  173.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   50.0000   30.0000 85

 20 omega   43.00  146.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -88.0000 -110.0000 103

 21 omega  125.00  178.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   50.0000  120.0000 53

 22 omega   89.00  127.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -80.0000  -54.0000 38
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0364883000
_diffrn_orient_matrix_UB_12      -0.0605448000
_diffrn_orient_matrix_UB_13      0.0166124000
_diffrn_orient_matrix_UB_21      0.0300803000
_diffrn_orient_matrix_UB_22      0.0033105000
_diffrn_orient_matrix_UB_23      -0.1161374000
_diffrn_orient_matrix_UB_31      0.1310050000
_diffrn_orient_matrix_UB_32      0.0162807000
_diffrn_orient_matrix_UB_33      0.0865881000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12719
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         67.00
_diffrn_reflns_theta_min         3.99
_diffrn_source                   'Enhance Ultra (Cu) x-ray Source'
_exptl_absorpt_coefficient_mu    2.904
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5617
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0366P)²+2.2140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                5355
_reflns_number_total             5617
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400692x_si_002_2.cif
_cod_data_source_block           032211a_daiwah_Complex-7
_cod_database_code               4335218
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'
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
Zn1 Zn -0.013722(18) 0.540293(8) 0.393355(19) 0.01563(7) Uani 1 1 d .
Cl1 Cl 0.67180(7) 0.32845(3) 0.03674(6) 0.0659(2) Uani 1 1 d .
Cl2 Cl 0.54009(5) 0.42621(3) 0.04848(6) 0.06093(18) Uani 1 1 d .
O1 O 0.12173(9) 0.50703(4) 0.54890(10) 0.0167(2) Uani 1 1 d .
O2 O -0.01856(10) 0.61366(5) 0.45425(11) 0.0214(2) Uani 1 1 d .
N1 N 0.04228(12) 0.48965(5) 0.28409(12) 0.0166(3) Uani 1 1 d .
N2 N -0.12935(12) 0.56405(5) 0.21221(12) 0.0174(3) Uani 1 1 d .
C1 C 0.22346(14) 0.48411(6) 0.55560(15) 0.0161(3) Uani 1 1 d .
C2 C 0.32128(15) 0.47850(7) 0.67431(16) 0.0192(3) Uani 1 1 d .
H2 H 0.3138 0.4920 0.7474 0.023 Uiso 1 1 calc R
C3 C 0.42799(15) 0.45384(7) 0.68779(16) 0.0198(3) Uani 1 1 d .
H3 H 0.4915 0.4501 0.7699 0.024 Uiso 1 1 calc R
C4 C 0.44433(14) 0.43427(6) 0.58242(16) 0.0184(3) Uani 1 1 d .
C5 C 0.34906(14) 0.44035(6) 0.46480(15) 0.0183(3) Uani 1 1 d .
H5 H 0.3586 0.4277 0.3922 0.022 Uiso 1 1 calc R
C6 C 0.23845(14) 0.46451(6) 0.44832(15) 0.0172(3) Uani 1 1 d .
C7 C 0.14652(14) 0.46646(6) 0.32030(15) 0.0175(3) Uani 1 1 d .
H7 H 0.1643 0.4491 0.2569 0.021 Uiso 1 1 calc R
C8 C -0.04419(14) 0.48624(6) 0.15686(15) 0.0174(3) Uani 1 1 d .
C9 C -0.04521(15) 0.44574(7) 0.07209(16) 0.0217(3) Uani 1 1 d .
H9 H 0.0163 0.4187 0.0982 0.026 Uiso 1 1 calc R
C10 C -0.13526(16) 0.44469(7) -0.04985(17) 0.0247(4) Uani 1 1 d .
H10 H -0.1344 0.4175 -0.1077 0.030 Uiso 1 1 calc R
C11 C -0.22696(15) 0.48340(7) -0.08761(16) 0.0245(4) Uani 1 1 d .
H11 H -0.2890 0.4823 -0.1711 0.029 Uiso 1 1 calc R
C12 C -0.22854(15) 0.52353(7) -0.00442(16) 0.0213(3) Uani 1 1 d .
H12 H -0.2918 0.5497 -0.0310 0.026 Uiso 1 1 calc R
C13 C -0.13742(14) 0.52573(7) 0.11849(15) 0.0176(3) Uani 1 1 d .
C14 C -0.19639(15) 0.60746(7) 0.18798(15) 0.0201(3) Uani 1 1 d .
H14 H -0.2539 0.6123 0.1031 0.024 Uiso 1 1 calc R
C15 C -0.19180(15) 0.64854(7) 0.27667(16) 0.0200(3) Uani 1 1 d .
C16 C -0.27911(15) 0.69061(7) 0.22829(16) 0.0228(3) Uani 1 1 d .
H16 H -0.3393 0.6875 0.1441 0.027 Uiso 1 1 calc R
C17 C -0.28029(15) 0.73549(7) 0.29794(17) 0.0224(3) Uani 1 1 d .
C18 C -0.18931(15) 0.73764(7) 0.42278(16) 0.0219(3) Uani 1 1 d .
H18 H -0.1889 0.7682 0.4732 0.026 Uiso 1 1 calc R
C19 C -0.10082(15) 0.69849(7) 0.47695(16) 0.0199(3) Uani 1 1 d .
C20 C -0.10091(14) 0.65120(6) 0.40404(16) 0.0185(3) Uani 1 1 d .
C21 C 0.55856(14) 0.40744(6) 0.59659(16) 0.0187(3) Uani 1 1 d .
C22 C 0.61651(15) 0.37087(7) 0.69509(16) 0.0232(4) Uani 1 1 d .
H22 H 0.5834 0.3637 0.7546 0.028 Uiso 1 1 calc R
C23 C 0.72199(16) 0.34472(7) 0.70744(17) 0.0276(4) Uani 1 1 d .
H23 H 0.7598 0.3194 0.7742 0.033 Uiso 1 1 calc R
C24 C 0.77234(16) 0.35551(7) 0.62227(18) 0.0280(4) Uani 1 1 d .
H24 H 0.8453 0.3381 0.6314 0.034 Uiso 1 1 calc R
C25 C 0.71532(16) 0.39181(7) 0.52396(18) 0.0248(4) Uani 1 1 d .
H25 H 0.7491 0.3992 0.4652 0.030 Uiso 1 1 calc R
C26 C 0.60936(15) 0.41744(7) 0.51086(16) 0.0210(3) Uani 1 1 d .
H26 H 0.5709 0.4421 0.4428 0.025 Uiso 1 1 calc R
C27 C -0.00255(15) 0.70539(7) 0.61224(16) 0.0220(3) Uani 1 1 d .
C28 C 0.12251(16) 0.70819(8) 0.60910(18) 0.0272(4) Uani 1 1 d .
H28A H 0.1389 0.6738 0.5763 0.041 Uiso 1 1 calc R
H28B H 0.1845 0.7143 0.6949 0.041 Uiso 1 1 calc R
H28C H 0.1238 0.7382 0.5541 0.041 Uiso 1 1 calc R
C29 C -0.00641(17) 0.65763(8) 0.69628(17) 0.0290(4) Uani 1 1 d .
H29A H -0.0868 0.6557 0.6965 0.044 Uiso 1 1 calc R
H29B H 0.0545 0.6633 0.7829 0.044 Uiso 1 1 calc R
H29C H 0.0106 0.6235 0.6630 0.044 Uiso 1 1 calc R
C30 C -0.01878(17) 0.75777(8) 0.67532(18) 0.0301(4) Uani 1 1 d .
H30A H -0.0153 0.7894 0.6253 0.045 Uiso 1 1 calc R
H30B H 0.0458 0.7605 0.7609 0.045 Uiso 1 1 calc R
H30C H -0.0973 0.7570 0.6801 0.045 Uiso 1 1 calc R
C31 C -0.37520(16) 0.78088(7) 0.24349(17) 0.0260(4) Uani 1 1 d .
C32 C -0.3316(3) 0.83459(9) 0.3124(2) 0.0567(7) Uani 1 1 d .
H32A H -0.2534 0.8441 0.3124 0.085 Uiso 1 1 calc R
H32B H -0.3228 0.8311 0.3998 0.085 Uiso 1 1 calc R
H32C H -0.3906 0.8633 0.2694 0.085 Uiso 1 1 calc R
C33 C -0.4927(2) 0.76362(11) 0.2514(3) 0.0572(7) Uani 1 1 d .
H33A H -0.4787 0.7597 0.3403 0.086 Uiso 1 1 calc R
H33B H -0.5198 0.7287 0.2077 0.086 Uiso 1 1 calc R
H33C H -0.5548 0.7914 0.2111 0.086 Uiso 1 1 calc R
C34 C -0.4041(2) 0.79059(9) 0.1044(2) 0.0469(6) Uani 1 1 d .
H34A H -0.4643 0.8197 0.0715 0.070 Uiso 1 1 calc R
H34B H -0.4364 0.7570 0.0564 0.070 Uiso 1 1 calc R
H34C H -0.3303 0.8012 0.0957 0.070 Uiso 1 1 calc R
C35 C 0.6769(2) 0.38936(11) 0.1172(2) 0.0506(6) Uani 1 1 d .
H35A H 0.7436 0.4123 0.1167 0.061 Uiso 1 1 calc R
H35B H 0.6941 0.3810 0.2064 0.061 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Zn1 Zn1 41.71(3) . 3_566
O1 Zn1 Zn1 41.18(3) 3_566 3_566
O1 Zn1 O1 82.89(4) . 3_566
O1 Zn1 N1 87.29(5) . .
O1 Zn1 N1 106.06(5) 3_566 .
O1 Zn1 N2 103.49(5) 3_566 .
O1 Zn1 N2 165.75(5) . .
O2 Zn1 Zn1 108.14(4) . 3_566
O2 Zn1 O1 100.57(5) . .
O2 Zn1 O1 106.43(5) . 3_566
O2 Zn1 N1 147.27(5) . .
O2 Zn1 N2 89.93(5) . .
N1 Zn1 Zn1 98.87(4) . 3_566
N2 Zn1 Zn1 143.09(4) . 3_566
N2 Zn1 N1 78.73(5) . .
Zn1 O1 Zn1 97.11(4) . 3_566
C1 O1 Zn1 116.46(9) . 3_566
C1 O1 Zn1 127.50(10) . .
C20 O2 Zn1 128.61(10) . .
C7 N1 Zn1 126.20(11) . .
C7 N1 C8 121.13(14) . .
C8 N1 Zn1 112.46(10) . .
C13 N2 Zn1 113.38(10) . .
C14 N2 Zn1 123.44(11) . .
C14 N2 C13 122.90(14) . .
O1 C1 C2 119.09(14) . .
O1 C1 C6 123.26(14) . .
C2 C1 C6 117.65(14) . .
C1 C2 H2 119.1 . .
C3 C2 C1 121.81(15) . .
C3 C2 H2 119.1 . .
C2 C3 H3 119.4 . .
C2 C3 C4 121.22(15) . .
C4 C3 H3 119.4 . .
C3 C4 C21 121.38(15) . .
C5 C4 C3 117.37(14) . .
C5 C4 C21 121.24(15) . .
C4 C5 H5 118.7 . .
C4 C5 C6 122.69(15) . .
C6 C5 H5 118.7 . .
C1 C6 C7 124.56(14) . .
C5 C6 C1 119.24(15) . .
C5 C6 C7 116.19(14) . .
N1 C7 C6 125.88(15) . .
N1 C7 H7 117.1 . .
C6 C7 H7 117.1 . .
C9 C8 N1 124.30(15) . .
C9 C8 C13 119.62(15) . .
C13 C8 N1 116.01(14) . .
C8 C9 H9 119.8 . .
C10 C9 C8 120.43(16) . .
C10 C9 H9 119.8 . .
C9 C10 H10 120.0 . .
C9 C10 C11 120.00(16) . .
C11 C10 H10 120.0 . .
C10 C11 H11 119.7 . .
C12 C11 C10 120.50(16) . .
C12 C11 H11 119.7 . .
C11 C12 H12 119.8 . .
C11 C12 C13 120.31(15) . .
C13 C12 H12 119.8 . .
N2 C13 C8 115.06(14) . .
C12 C13 N2 125.81(15) . .
C12 C13 C8 119.12(15) . .
N2 C14 H14 116.9 . .
N2 C14 C15 126.20(15) . .
C15 C14 H14 116.9 . .
C14 C15 C20 124.03(15) . .
C16 C15 C14 115.48(15) . .
C16 C15 C20 120.32(15) . .
C15 C16 H16 118.6 . .
C17 C16 C15 122.73(16) . .
C17 C16 H16 118.6 . .
C16 C17 C18 116.11(15) . .
C16 C17 C31 121.97(16) . .
C18 C17 C31 121.93(15) . .
C17 C18 H18 117.6 . .
C19 C18 C17 124.78(16) . .
C19 C18 H18 117.6 . .
C18 C19 C20 118.88(15) . .
C18 C19 C27 121.04(15) . .
C20 C19 C27 120.08(14) . .
O2 C20 C15 123.23(15) . .
O2 C20 C19 119.59(15) . .
C15 C20 C19 117.16(14) . .
C22 C21 C4 120.50(15) . .
C22 C21 C26 118.45(15) . .
C26 C21 C4 121.04(15) . .
C21 C22 H22 119.6 . .
C23 C22 C21 120.87(16) . .
C23 C22 H22 119.6 . .
C22 C23 H23 120.0 . .
C22 C23 C24 120.08(17) . .
C24 C23 H23 120.0 . .
C23 C24 H24 120.3 . .
C25 C24 C23 119.46(16) . .
C25 C24 H24 120.3 . .
C24 C25 H25 119.8 . .
C26 C25 C24 120.43(17) . .
C26 C25 H25 119.8 . .
C21 C26 H26 119.7 . .
C25 C26 C21 120.70(16) . .
C25 C26 H26 119.7 . .
C19 C27 C28 109.69(14) . .
C19 C27 C29 110.41(14) . .
C29 C27 C28 109.92(15) . .
C30 C27 C19 112.39(14) . .
C30 C27 C28 107.41(14) . .
C30 C27 C29 106.93(15) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 C17 111.95(16) . .
C32 C31 C33 109.8(2) . .
C32 C31 C34 107.42(18) . .
C33 C31 C17 109.60(15) . .
C34 C31 C17 110.62(15) . .
C34 C31 C33 107.30(19) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Cl1 C35 Cl2 112.23(13) . .
Cl1 C35 H35A 109.2 . .
Cl1 C35 H35B 109.2 . .
Cl2 C35 H35A 109.2 . .
Cl2 C35 H35B 109.2 . .
H35A C35 H35B 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 Zn1 3.0776(4) 3_566
Zn1 O1 2.0422(11) .
Zn1 O1 2.0636(11) 3_566
Zn1 O2 1.9437(11) .
Zn1 N1 2.0830(13) .
Zn1 N2 2.0700(13) .
Cl1 C35 1.750(3) .
Cl2 C35 1.766(3) .
O1 Zn1 2.0636(11) 3_566
O1 C1 1.3321(19) .
O2 C20 1.306(2) .
N1 C7 1.291(2) .
N1 C8 1.416(2) .
N2 C13 1.411(2) .
N2 C14 1.299(2) .
C1 C2 1.404(2) .
C1 C6 1.417(2) .
C2 H2 0.9500 .
C2 C3 1.381(2) .
C3 H3 0.9500 .
C3 C4 1.404(2) .
C4 C5 1.384(2) .
C4 C21 1.484(2) .
C5 H5 0.9500 .
C5 C6 1.409(2) .
C6 C7 1.443(2) .
C7 H7 0.9500 .
C8 C9 1.395(2) .
C8 C13 1.416(2) .
C9 H9 0.9500 .
C9 C10 1.385(2) .
C10 H10 0.9500 .
C10 C11 1.390(3) .
C11 H11 0.9500 .
C11 C12 1.385(2) .
C12 H12 0.9500 .
C12 C13 1.398(2) .
C14 H14 0.9500 .
C14 C15 1.426(2) .
C15 C16 1.419(2) .
C15 C20 1.434(2) .
C16 H16 0.9500 .
C16 C17 1.370(2) .
C17 C18 1.413(2) .
C17 C31 1.538(2) .
C18 H18 0.9500 .
C18 C19 1.384(2) .
C19 C20 1.436(2) .
C19 C27 1.538(2) .
C21 C22 1.393(2) .
C21 C26 1.395(2) .
C22 H22 0.9500 .
C22 C23 1.388(2) .
C23 H23 0.9500 .
C23 C24 1.389(3) .
C24 H24 0.9500 .
C24 C25 1.386(3) .
C25 H25 0.9500 .
C25 C26 1.385(2) .
C26 H26 0.9500 .
C27 C28 1.539(2) .
C27 C29 1.538(2) .
C27 C30 1.532(2) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.518(3) .
C31 C33 1.530(3) .
C31 C34 1.523(3) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
