Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]zinc(II)}zinc(II)
Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Aksu, Mecit; Acta Crystallographica Section C 57 (2001) 273–274; doi:10.1107/S0108270100019983

data_2011831
_publ_section_title
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 Bis{(\m-acetato)[\m-bis(salicylidene)-1,3-propanediaminato]zinc(II)}zinc(II)
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              273
_journal_page_last               274
_journal_paper_doi               10.1107/S0108270100019983
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Zn {Zn (C H3 C O O) (C17 H16 N2 O2)}2]'
_chemical_formula_moiety         'C38 H38 N4 O8 Zn3'
_chemical_formula_sum            'C38 H38 N4 O8 Zn3'
_chemical_formula_weight         874.91
_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                 85.639(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4243(14)
_cell_length_b                   20.3334(18)
_cell_length_c                   8.3832(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      11.39
_cell_measurement_theta_min      8.64
_cell_volume                     1771.8(4)
_computing_cell_refinement       MolEN
_computing_data_collection       'MolEN (Fair, 1990)'
_computing_data_reduction        MolEN
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'MolEN and PLATON99 (Spek, 1990)'
_computing_structure_refinement  MolEN
_computing_structure_solution    MolEN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4101
_diffrn_reflns_theta_max         26.7
_diffrn_standards_decay_%        .036
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.07
_exptl_absorpt_correction_T_max  .902
_exptl_absorpt_correction_T_min  .798
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(MolEN; Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             896
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .05
_refine_diff_density_max         .84
_refine_diff_density_min         -.23
_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         2514
_refine_ls_R_factor_gt           .045
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + (0.02F)^2^ + 0.25]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         .056
_reflns_number_gt                2514
_reflns_number_total             3724
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ta1298.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011831