Di-μ-chlorido-dichlorido-bis{μ-6,6'-dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}dilead(II)dizinc(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate
Wang, Hailong; Zhang, Daopeng; Zhang, Li-Fang; Acta Crystallographica Section E 64 (2008) m1408–m1409; doi:10.1107/S1600536808032704

data_2219919
_publ_section_title
;Di-\m-chlorido-dichlorido-bis{\m-6,6'-dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}dilead(II)dizinc(II)
 <i>N</i>,<i>N</i>'-dimethylformamide disolvate
;
_journal_coeditor_code           KP2192
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1408
_journal_page_last               m1409
_journal_paper_doi               10.1107/S1600536808032704
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn2 Pb2 (C22 H18 N2 O4)2 Cl4], 2C3 H7 N O'
_chemical_formula_moiety         'C44 H36 Cl4 N4 O8 Pb2 Zn2, 2(C3 H7 N O)'
_chemical_formula_sum            'C50 H50 Cl4 N6 O10 Pb2 Zn2'
_chemical_formula_weight         1581.88
_chemical_name_systematic
;Di-\m-chlorido-2:3\k^4^Cl:Cl-dichlorido-1\kCl,4\kCl-bis{\m-6,6'-dimethoxy-
2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato}-
1:2\k^4^N,N',O^1^,O^1'^:\k^4^O^1^,O^1'^,O^6^,O^6'^;
3:4\k^4^O^1^,O^1'^,O^6^,O^6'^:\k^4^N,N',O^1^,O^1'^-2,3-dilead(II)-1,4-dizinc(II)
<i>N</i>,<i>N'</i>-dimethylformamide
 disolvate
;
_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                 95.729(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.4955(6)
_cell_length_b                   32.119(3)
_cell_length_c                   11.2366(9)
_cell_measurement_reflns_used    3748
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      1.87
_cell_volume                     2691.7(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'XP in SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13373
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.377
_exptl_absorpt_correction_T_max  0.5258
_exptl_absorpt_correction_T_min  0.3201
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.640
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0378
_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/[\s^2^(Fo^2^)+(0.017P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                3176
_reflns_number_total             4719
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2192.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219919
_cod_database_fobs_code          2219919