Bis{(μ-nitrato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)
Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Durmus̨, Sefa; Acta Crystallographica Section C 55 (1999) 1652–1654; doi:10.1107/S0108270199008513

data_2009075
_publ_section_title
Bis{(\m-nitrato)[\m-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II)
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1652
_journal_page_last               1654
_journal_paper_doi               10.1107/S0108270199008513
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Zn Cu2 (C17 H16 N2 O2)2 (N1 O3)2]'
_chemical_formula_moiety         'C34 H32 Cu2 N6 O10 Zn'
_chemical_formula_sum            'C34 H32 Cu2 N6 O10 Zn'
_chemical_formula_weight         877.14
_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
_cell_angle_beta                 100.558(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0652(10)
_cell_length_b                   11.5566(11)
_cell_length_c                   16.2857(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.11
_cell_measurement_theta_min      10.51
_cell_volume                     1677.3(3)
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_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  0.015
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3673
_diffrn_reflns_theta_max         26.2
_diffrn_standards_decay_%        0.023
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.04
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     241
_refine_ls_number_reflns         2529
_refine_ls_R_factor_gt           0.036
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 1/[\sF^2^ + (0.02F)^2^ + 0.10],
except w = 0 if F^2^ < \sF^2^
;
_refine_ls_wR_factor_ref         0.040
_reflns_number_gt                2529
_reflns_number_total             3274
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            sk1295.cif
_cod_data_source_block           culznno3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009075