{[μ-<i>N,N</i>'-Bis(salicylidene)-2,2'-dimethyl-1,3-propanediamine](piperidine)copper(II)}dibromozinc(II)
Svoboda, Ingrid; Arıcı, Cengiz; Nazır, Hasan; Durmus, Zehra; Atakol, Orhan; Fuess, Hartmut; Acta Crystallographica Section E 57 (2001) m584–m586; doi:10.1107/S1600536801019171

data_2200584
_publ_section_title
{[\m-<i>N,N</i>'-Bis(salicylidene)-2,2'-dimethyl-1,3-propanediamine](piperidine)copper(II)}dibromozinc(II)
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m584
_journal_page_last               m586
_journal_paper_doi               10.1107/S1600536801019171
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac
'[Cu Zn Br2 (C17 H16 N2 O2) (C H3)2 (C5 H11 N)]'
_chemical_formula_moiety         'C24 H31 Br2 Cu N3 O2 Zn'
_chemical_formula_sum            'C24 H31 Br2 Cu N3 O2 Zn'
_chemical_formula_weight         682.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 97.91(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.659(2)
_cell_length_b                   14.5500(10)
_cell_length_c                   16.992(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      1.85
_cell_volume                     2610.2(7)
_computing_cell_refinement       'SHELXL97 (Sheldrick, 1997)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_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  .041
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8583
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.821
_exptl_absorpt_correction_T_max  .300
_exptl_absorpt_correction_T_min  .202
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_absorpt_process_details   '(Fair, 1990)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .25
_refine_diff_density_max         .82
_refine_diff_density_min         -.50
_refine_ls_extinction_coef       .0028(3)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5111
_refine_ls_number_restraints     2
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0506P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .095
_reflns_number_gt                3403
_reflns_number_total             5111
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6030.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_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2200584
_cod_database_fobs_code          2200584