{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)
Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit; Acta Crystallographica Section C 55 (1999) 930–932; doi:10.1107/S0108270199002851

data_2008531
_publ_section_title
;
 {[\m-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              930
_journal_page_last               932
_journal_paper_doi               10.1107/S0108270199002851
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cu Zn I2 (C17 H16 N2 O2)]'
_chemical_formula_moiety         'C17 H16 Cu I2 N2 O2 Zn'
_chemical_formula_sum            'C17 H16 Cu I2 N2 O2 Zn'
_chemical_formula_weight         663.05
_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                 92.144(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8200(10)
_cell_length_b                   9.3728(11)
_cell_length_c                   15.3080(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.08
_cell_measurement_theta_min      10.15
_cell_volume                     1981.5(3)
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'PLATON (Spek, 1998)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM in MolEN'
_computing_structure_solution    'SIR in 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  0.028
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3895
_diffrn_reflns_theta_max         25.22
_diffrn_standards_decay_%        'random variation: 2%'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.41
_exptl_absorpt_correction_T_max  0.582
_exptl_absorpt_correction_T_min  0.371
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'monoclinic prismatic'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.19
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.98
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2616
_refine_ls_R_factor_obs          .040
_refine_ls_shift/esd_max         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
weight: w = 1/[\sF^2^ + (0.02F)^2^ + 0.25], except w = 0
if F^2^ < cutoff \\times \sF^2^, where cutoff is 1.0
;
_refine_ls_wR_factor_obs         .044
_reflns_number_observed          2616
_reflns_number_total             3577
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            bm1298.cif
_cod_data_source_block           CuZnI2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2008531