Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminecopper(II)]diiodolead(II)
Sarı, Musa; Durmus̨, Sefa; Atakol, Orhan; Svaboda, Ingrid; Fuess, Harmut; Acta Crystallographica Section E 57 (2001) m201–m203; doi:10.1107/S1600536801006511

data_2200285
_publ_section_title
Bis[\m-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminecopper(II)]diiodolead(II)
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m201
_journal_page_last               m203
_journal_paper_doi               10.1107/S1600536801006511
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu2 Pb I2 (C17 H16 N2 O2)2]'
_chemical_formula_moiety         'C34 H32 Cu2 I2 N4 O4 Pb'
_chemical_formula_sum            'C34 H32 Cu2 I2 N4 O4 Pb'
_chemical_formula_weight         1148.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                87.23(2)
_cell_angle_beta                 79.730(10)
_cell_angle_gamma                88.540(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5160(10)
_cell_length_b                   11.381(2)
_cell_length_c                   14.558(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.31
_cell_measurement_theta_min      4.05
_cell_volume                     1712.2(5)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1996)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0258
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7106
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.983
_exptl_absorpt_correction_T_max  .787
_exptl_absorpt_correction_T_min  .626
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(Fair, 1990)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.228
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1084
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .03
_refine_diff_density_max         2.48
_refine_diff_density_min         -2.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     423
_refine_ls_number_reflns         4611
_refine_ls_R_factor_gt           .0403
_refine_ls_shift/su_max          .0001
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0651P)^2^+3.3407P], where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1004
_reflns_number_gt                4611
_reflns_number_total             6685
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6059.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               2200285
_cod_database_fobs_code          2200285