{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)
Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit; Acta Crystallographica Section C 55 (1999) 923–925; doi:10.1107/S0108270199003091

data_2008645
_publ_section_title
;
 {[\m-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1107/S0108270199003091
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cu Zn Cl2 (C17 H16 N2 O2)]'
_chemical_formula_moiety         'C17 H16 Cl2 Cu N2 O2 Zn'
_chemical_formula_sum            'C17 H16 Cl2 Cu N2 O2 Zn'
_chemical_formula_weight         480.158
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 98.856(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6166(9)
_cell_length_b                   8.2634(8)
_cell_length_c                   18.2929(18)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.11
_cell_measurement_theta_min      11.24
_cell_volume                     1735.0(3)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    MolEN
_computing_publication_material  MolEN
_computing_structure_refinement  MolEN
_computing_structure_solution    MolEN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4622
_diffrn_reflns_theta_max         28.52
_diffrn_standards_decay_%        0.035
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.929
_exptl_absorpt_correction_T_max  0.690
_exptl_absorpt_correction_T_min  0.657
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.8382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.125
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.99
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2442
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F^2^)+(0.020F)^2^+0.075]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.038
_reflns_number_gt                2442
_reflns_number_total             4492
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sk1278.cif
_cod_data_source_block           zncu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w =
1/[\s^2^(F^2^)+(0.020F)^2^+0.075]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F^2^)+(0.020F)^2^+0.075]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1734.9(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008645