#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/99/2219905.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2219905
loop_
_publ_author_name
'Wang, Hailong'
'Zhang, Daopeng'
'Tian, Laijin'
'Zhang, Li-Fang'
_publ_section_title
;Dichlorido{μ-6,6'-dimethoxy-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato}(dimethyl
 sulfoxide)lead(II)zinc(II) N,N-dimethylformamide solvate
;
_journal_coeditor_code           IS2345
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1460
_journal_paper_doi               10.1107/S1600536808034338
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Pb Zn (C22 H18 N2 O4) Cl2 (C2 H6 O S)], C3 H7 N O'
_chemical_formula_moiety         'C24 H24 Cl2 N2 O5 Pb S Zn, C3 H7 N O '
_chemical_formula_sum            'C27 H31 Cl2 N3 O6 Pb S Zn'
_chemical_formula_weight         869.07
_chemical_name_systematic
;
Dichlorido-1\kCl,2\kCl-{μ-6,6'-dimethoxy-2,2'-[o-
phenylenebis(nitrilomethylidyne)]diphenolato-
1κ⁴O¹,N,N',O^1'^:2κ⁴O,O',O'',O''}(dimethyl
sulfoxide-2\kO)lead(II)zinc(II) N,N-dimethylformamide
solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.7710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.2850(7)
_cell_length_b                   18.8433(8)
_cell_length_c                   10.7343(5)
_cell_measurement_reflns_used    5739
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     3081.0(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18055
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.72
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.522
_exptl_absorpt_correction_T_max  0.518
_exptl_absorpt_correction_T_min  0.343
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.874
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.752
_refine_diff_density_min         -0.614
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         6997
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0358
_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)+(0.0296P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                4923
_reflns_number_total             6997
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            is2345.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219905
_cod_database_fobs_code          2219905
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'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.9922(4) 0.5643(3) -0.2068(8) 0.092(2) Uani d . 1 . .
H H1A 1.0047 0.6013 -0.1464 0.138 Uiso calc R 1 . .
H H1B 0.9834 0.5848 -0.2888 0.138 Uiso calc R 1 . .
H H1C 1.0406 0.5318 -0.2041 0.138 Uiso calc R 1 . .
C C2 0.8849(3) 0.4724(3) -0.2534(5) 0.0464(12) Uani d . 1 . .
C C3 0.9128(4) 0.4565(3) -0.3684(5) 0.0594(15) Uani d . 1 . .
H H3 0.9561 0.4841 -0.4004 0.071 Uiso calc R 1 . .
C C4 0.8775(4) 0.4007(3) -0.4364(5) 0.0615(16) Uani d . 1 . .
H H4 0.8966 0.3910 -0.5147 0.074 Uiso calc R 1 . .
C C5 0.8147(3) 0.3591(3) -0.3907(5) 0.0535(14) Uani d . 1 . .
H H5 0.7913 0.3212 -0.4380 0.064 Uiso calc R 1 . .
C C6 0.7850(3) 0.3730(2) -0.2721(4) 0.0384(11) Uani d . 1 . .
C C7 0.8183(3) 0.4316(2) -0.2022(4) 0.0396(11) Uani d . 1 . .
C C8 0.7195(3) 0.3250(2) -0.2308(4) 0.0387(11) Uani d . 1 . .
H H8 0.6966 0.2912 -0.2876 0.046 Uiso calc R 1 . .
C C9 0.6238(3) 0.2772(2) -0.0917(4) 0.0340(10) Uani d . 1 . .
C C10 0.6124(3) 0.2101(2) -0.1400(4) 0.0458(12) Uani d . 1 . .
H H10 0.6504 0.1929 -0.1964 0.055 Uiso calc R 1 . .
C C11 0.5449(3) 0.1680(3) -0.1049(5) 0.0503(13) Uani d . 1 . .
H H11 0.5370 0.1227 -0.1386 0.060 Uiso calc R 1 . .
C C12 0.4890(3) 0.1927(3) -0.0202(5) 0.0497(13) Uani d . 1 . .
H H12 0.4429 0.1643 0.0018 0.060 Uiso calc R 1 . .
C C13 0.5009(3) 0.2587(2) 0.0317(4) 0.0440(12) Uani d . 1 . .
H H13 0.4636 0.2747 0.0898 0.053 Uiso calc R 1 . .
C C14 0.5687(3) 0.3017(2) -0.0023(4) 0.0338(10) Uani d . 1 . .
C C15 0.5294(3) 0.4084(2) 0.0968(4) 0.0329(10) Uani d . 1 . .
H H15 0.4743 0.3883 0.1023 0.040 Uiso calc R 1 . .
C C16 0.5433(3) 0.4791(2) 0.1456(4) 0.0333(10) Uani d . 1 . .
C C17 0.4754(3) 0.5081(3) 0.2123(4) 0.0414(12) Uani d . 1 . .
H H17 0.4262 0.4807 0.2241 0.050 Uiso calc R 1 . .
C C18 0.4806(3) 0.5746(3) 0.2589(5) 0.0493(13) Uani d . 1 . .
H H18 0.4371 0.5916 0.3067 0.059 Uiso calc R 1 . .
C C19 0.5518(3) 0.6180(2) 0.2349(4) 0.0429(12) Uani d . 1 . .
H H19 0.5542 0.6645 0.2638 0.051 Uiso calc R 1 . .
C C20 0.6174(3) 0.5923(2) 0.1696(4) 0.0377(11) Uani d . 1 . .
C C25 0.7952(4) 0.5309(4) 0.3414(6) 0.0688(17) Uani d . 1 . .
H H25 0.7753 0.4877 0.3083 0.083 Uiso calc R 1 . .
C C23 0.7891(5) 0.6193(4) 0.4986(6) 0.105(3) Uani d . 1 . .
H H23A 0.7556 0.6292 0.5683 0.158 Uiso calc R 1 . .
H H23B 0.7822 0.6575 0.4395 0.158 Uiso calc R 1 . .
H H23C 0.8500 0.6145 0.5274 0.158 Uiso calc R 1 . .
C C24 0.6895(4) 0.5155(4) 0.4933(6) 0.092(2) Uani d . 1 . .
H H24A 0.6710 0.5410 0.5639 0.138 Uiso calc R 1 . .
H H24B 0.7109 0.4696 0.5197 0.138 Uiso calc R 1 . .
H H24C 0.6406 0.5101 0.4318 0.138 Uiso calc R 1 . .
C C21 0.6168(3) 0.5213(2) 0.1249(4) 0.0343(10) Uani d . 1 . .
C C22 0.6974(4) 0.7029(3) 0.1830(6) 0.0630(16) Uani d . 1 . .
H H22A 0.7504 0.7230 0.1565 0.095 Uiso calc R 1 . .
H H22C 0.6992 0.7041 0.2726 0.095 Uiso calc R 1 . .
H H22B 0.6479 0.7298 0.1483 0.095 Uiso calc R 1 . .
N N1 0.6903(2) 0.32535(18) -0.1215(3) 0.0351(9) Uani d . 1 . .
N N2 0.5875(2) 0.37078(18) 0.0461(3) 0.0337(8) Uani d . 1 . .
N N3 0.7585(3) 0.5545(3) 0.4398(5) 0.0637(13) Uani d . 1 . .
O O3 0.6844(2) 0.49968(15) 0.0660(3) 0.0412(8) Uani d . 1 A .
O O2 0.7936(2) 0.45072(16) -0.0930(3) 0.0452(8) Uani d . 1 A .
O O1 0.9148(2) 0.52743(19) -0.1786(4) 0.0606(10) Uani d . 1 . .
O O6 0.8536(3) 0.5608(3) 0.2891(5) 0.0903(15) Uani d . 1 . .
O O4 0.6892(2) 0.63108(17) 0.1411(3) 0.0521(9) Uani d . 1 A .
Zn Zn1 0.71596(3) 0.39911(3) 0.01970(5) 0.03524(13) Uani d D 1 . .
Pb Pb1 0.805850(13) 0.569995(10) 0.003745(18) 0.04440(7) Uani d . 1 . .
Cl Cl1 0.70822(10) 0.63063(8) -0.17678(14) 0.0672(4) Uani d . 1 A .
Cl Cl2 0.80237(8) 0.34936(7) 0.17826(12) 0.0528(3) Uani d . 1 . .
C C27 0.9574(13) 0.7236(9) 0.2609(7) 0.098(3) Uani d PDU 0.576(2) A 1
H H27A 0.9198 0.7548 0.3027 0.147 Uiso calc PR 0.576(2) A 1
H H27B 1.0163 0.7271 0.2992 0.147 Uiso calc PR 0.576(2) A 1
H H27C 0.9371 0.6756 0.2672 0.147 Uiso calc PR 0.576(2) A 1
C C26 1.0639(6) 0.7110(7) 0.087(2) 0.074(3) Uani d PD 0.576(2) A 1
H H26A 1.0806 0.7151 0.0031 0.111 Uiso calc PR 0.576(2) A 1
H H26B 1.0632 0.6618 0.1104 0.111 Uiso calc PR 0.576(2) A 1
H H26C 1.1055 0.7360 0.1429 0.111 Uiso calc PR 0.576(2) A 1
S S1 0.95576(17) 0.74864(13) 0.0961(2) 0.0599(5) Uani d PDU 0.576(2) A 1
O O5 0.8885(11) 0.6987(5) 0.0345(17) 0.073(5) Uani d PD 0.576(2) A 1
C C27' 0.9400(18) 0.7406(10) 0.2440(14) 0.098(3) Uani d PDU 0.424(2) A 2
H H27D 0.9102 0.7137 0.3036 0.147 Uiso calc PR 0.424(2) A 2
H H27E 0.8995 0.7731 0.2012 0.147 Uiso calc PR 0.424(2) A 2
H H27F 0.9874 0.7667 0.2867 0.147 Uiso calc PR 0.424(2) A 2
C C26' 1.0592(10) 0.7461(8) 0.080(3) 0.074(3) Uani d PD 0.424(2) A 2
H H26D 1.0844 0.7296 0.0062 0.111 Uiso calc PR 0.424(2) A 2
H H26E 1.1050 0.7539 0.1452 0.111 Uiso calc PR 0.424(2) A 2
H H26F 1.0282 0.7897 0.0618 0.111 Uiso calc PR 0.424(2) A 2
S S1' 0.9837(2) 0.68004(18) 0.1302(3) 0.0599(5) Uani d PDU 0.424(2) A 2
O O5' 0.9125(17) 0.6873(8) 0.027(2) 0.073(5) Uani d PD 0.424(2) A 2
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'
Pb Pb -3.3944 10.1111 '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'
S S 0.1246 0.1234 '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_publ_flag
O1 C1 H1A 109.5 ?
O1 C1 H1B 109.5 ?
H1A C1 H1B 109.5 ?
O1 C1 H1C 109.5 ?
H1A C1 H1C 109.5 ?
H1B C1 H1C 109.5 ?
O1 C2 C3 125.5(5) ?
O1 C2 C7 113.5(4) ?
C3 C2 C7 121.0(5) ?
C4 C3 C2 120.7(5) ?
C4 C3 H3 119.6 ?
C2 C3 H3 119.6 ?
C5 C4 C3 120.6(5) ?
C5 C4 H4 119.7 ?
C3 C4 H4 119.7 ?
C4 C5 C6 120.5(5) ?
C4 C5 H5 119.8 ?
C6 C5 H5 119.8 ?
C7 C6 C5 119.8(4) ?
C7 C6 C8 123.9(4) ?
C5 C6 C8 116.3(4) ?
O2 C7 C6 125.0(4) ?
O2 C7 C2 117.8(4) ?
C6 C7 C2 117.2(4) ?
N1 C8 C6 125.2(4) ?
N1 C8 H8 117.4 ?
C6 C8 H8 117.4 ?
C10 C9 C14 119.8(4) ?
C10 C9 N1 125.1(4) ?
C14 C9 N1 115.1(4) ?
C9 C10 C11 120.0(5) ?
C9 C10 H10 120.0 ?
C11 C10 H10 120.0 ?
C10 C11 C12 120.3(4) ?
C10 C11 H11 119.8 ?
C12 C11 H11 119.8 ?
C13 C12 C11 120.4(5) ?
C13 C12 H12 119.8 ?
C11 C12 H12 119.8 ?
C12 C13 C14 120.1(4) ?
C12 C13 H13 120.0 ?
C14 C13 H13 120.0 ?
C13 C14 C9 119.3(4) ?
C13 C14 N2 124.8(4) ?
C9 C14 N2 115.8(4) ?
N2 C15 C16 125.1(4) ?
N2 C15 H15 117.5 ?
C16 C15 H15 117.5 ?
C21 C16 C17 119.3(4) ?
C21 C16 C15 124.0(4) ?
C17 C16 C15 116.6(4) ?
C18 C17 C16 121.5(5) ?
C18 C17 H17 119.3 ?
C16 C17 H17 119.3 ?
C17 C18 C19 119.7(5) ?
C17 C18 H18 120.1 ?
C19 C18 H18 120.1 ?
C20 C19 C18 120.2(4) ?
C20 C19 H19 119.9 ?
C18 C19 H19 119.9 ?
C19 C20 O4 124.2(4) ?
C19 C20 C21 121.8(4) ?
O4 C20 C21 114.0(4) ?
O6 C25 N3 125.9(6) ?
O6 C25 H25 117.0 ?
N3 C25 H25 117.0 ?
N3 C23 H23A 109.5 ?
N3 C23 H23B 109.5 ?
H23A C23 H23B 109.5 ?
N3 C23 H23C 109.5 ?
H23A C23 H23C 109.5 ?
H23B C23 H23C 109.5 ?
N3 C24 H24A 109.5 ?
N3 C24 H24B 109.5 ?
H24A C24 H24B 109.5 ?
N3 C24 H24C 109.5 ?
H24A C24 H24C 109.5 ?
H24B C24 H24C 109.5 ?
O3 C21 C16 124.6(4) ?
O3 C21 C20 118.0(4) ?
C16 C21 C20 117.4(4) ?
O4 C22 H22A 109.5 ?
O4 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
O4 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
H22C C22 H22B 109.5 ?
C8 N1 C9 120.7(4) ?
C8 N1 Zn1 127.6(3) ?
C9 N1 Zn1 111.1(3) ?
C15 N2 C14 122.1(4) ?
C15 N2 Zn1 127.4(3) ?
C14 N2 Zn1 110.5(3) ?
C25 N3 C23 119.7(6) ?
C25 N3 C24 121.6(6) ?
C23 N3 C24 118.7(6) ?
C21 O3 Zn1 128.2(3) ?
C21 O3 Pb1 127.8(3) ?
Zn1 O3 Pb1 103.89(12) ?
C7 O2 Zn1 129.2(3) ?
C7 O2 Pb1 127.3(3) ?
Zn1 O2 Pb1 102.38(12) ?
C2 O1 C1 119.2(4) ?
C20 O4 C22 118.9(4) ?
C20 O4 Pb1 118.5(3) ?
C22 O4 Pb1 122.6(3) ?
O2 Zn1 O3 81.97(12) n
O2 Zn1 N1 88.26(13) n
O3 Zn1 N1 140.59(14) n
O2 Zn1 N2 144.80(14) n
O3 Zn1 N2 87.68(13) n
N1 Zn1 N2 78.68(14) n
O2 Zn1 Cl2 108.35(10) n
O3 Zn1 Cl2 109.75(10) n
N1 Zn1 Cl2 109.57(11) n
N2 Zn1 Cl2 106.82(10) n
O3 Pb1 O2 65.53(10) n
O3 Pb1 Cl1 92.31(8) n
O2 Pb1 Cl1 93.86(9) n
O3 Pb1 O4 61.32(10) n
O2 Pb1 O4 126.34(10) n
Cl1 Pb1 O4 81.62(8) n
O3 Pb1 O5 143.8(5) n
O2 Pb1 O5 150.6(5) n
Cl1 Pb1 O5 86.06(18) n
O4 Pb1 O5 82.8(5) n
O3 Pb1 O5' 151.5(8) ?
O2 Pb1 O5' 142.5(8) ?
Cl1 Pb1 O5' 90.82(17) ?
O4 Pb1 O5' 91.2(8) ?
O5 Pb1 O5' 9.1(12) ?
O5 S1 C26 109.0(10) ?
O5 S1 C27 102.6(9) ?
C26 S1 C27 90.6(8) ?
S1 O5 Pb1 153.7(5) ?
S1' C27' H27D 109.5 ?
S1' C27' H27E 109.5 ?
H27D C27' H27E 109.5 ?
S1' C27' H27F 109.5 ?
H27D C27' H27F 109.5 ?
H27E C27' H27F 109.5 ?
S1' C26' H26D 109.5 ?
S1' C26' H26E 109.5 ?
H26D C26' H26E 109.5 ?
S1' C26' H26F 109.5 ?
H26D C26' H26F 109.5 ?
H26E C26' H26F 109.5 ?
O5' S1' C26' 99.2(11) ?
O5' S1' C27' 98.7(16) ?
C26' S1' C27' 92.7(12) ?
S1' O5' Pb1 112.7(5) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 1.427(6) ?
C1 H1A 0.9600 ?
C1 H1B 0.9600 ?
C1 H1C 0.9600 ?
C2 O1 1.367(6) ?
C2 C3 1.372(7) ?
C2 C7 1.422(6) ?
C3 C4 1.365(8) ?
C3 H3 0.9300 ?
C4 C5 1.362(7) ?
C4 H4 0.9300 ?
C5 C6 1.412(6) ?
C5 H5 0.9300 ?
C6 C7 1.406(6) ?
C6 C8 1.446(6) ?
C7 O2 1.312(5) ?
C8 N1 1.290(5) ?
C8 H8 0.9300 ?
C9 C10 1.372(6) ?
C9 C14 1.406(6) ?
C9 N1 1.419(5) ?
C10 C11 1.379(6) ?
C10 H10 0.9300 ?
C11 C12 1.379(7) ?
C11 H11 0.9300 ?
C12 C13 1.369(6) ?
C12 H12 0.9300 ?
C13 C14 1.388(6) ?
C13 H13 0.9300 ?
C14 N2 1.422(5) ?
C15 N2 1.292(5) ?
C15 C16 1.441(6) ?
C15 H15 0.9300 ?
C16 C21 1.409(6) ?
C16 C17 1.418(6) ?
C17 C18 1.349(6) ?
C17 H17 0.9300 ?
C18 C19 1.402(7) ?
C18 H18 0.9300 ?
C19 C20 1.359(6) ?
C19 H19 0.9300 ?
C20 O4 1.375(5) ?
C20 C21 1.421(6) ?
C25 O6 1.230(7) ?
C25 N3 1.314(7) ?
C25 H25 0.9300 ?
C23 N3 1.436(8) ?
C23 H23A 0.9600 ?
C23 H23B 0.9600 ?
C23 H23C 0.9600 ?
C24 N3 1.443(7) ?
C24 H24A 0.9600 ?
C24 H24B 0.9600 ?
C24 H24C 0.9600 ?
C21 O3 1.319(5) ?
C22 O4 1.428(5) ?
C22 H22A 0.9600 ?
C22 H22C 0.9600 ?
C22 H22B 0.9600 ?
Zn1 N1 2.070(4) y
Zn1 N2 2.077(3) y
Zn1 O3 2.028(3) y
Zn1 O2 2.014(3) y
Zn1 Cl2 2.2686(14) y
Pb1 O1 2.791(4) y
Pb1 O2 2.476(3) y
Pb1 O3 2.420(3) y
Pb1 O4 2.667(3) y
Pb1 O5 2.741(5) y
Pb1 O5' 2.746(7) y
Pb1 Cl1 2.6088(15) y
C27 S1 1.829(6) ?
C27 H27A 0.9600 ?
C27 H27B 0.9600 ?
C27 H27C 0.9600 ?
C26 S1 1.809(6) ?
C26 H26A 0.9600 ?
C26 H26B 0.9600 ?
C26 H26C 0.9600 ?
S1 O5 1.506(5) ?
C27' S1' 1.838(7) ?
C27' H27D 0.9600 ?
C27' H27E 0.9600 ?
C27' H27F 0.9600 ?
C26' S1' 1.809(6) ?
C26' H26D 0.9600 ?
C26' H26E 0.9600 ?
C26' H26F 0.9600 ?
S1' O5' 1.492(7) ?
