A new Ni‒Zn heterodinuclear complex: [μ~2~-bis(salicylidene)propane-1,3-diaminato]dichlorobis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)zinc(II)
Ercan, Filiz; Acta Crystallographica Section E 61 (2005) m1804–m1806; doi:10.1107/S1600536805025821

data_2206644
_publ_section_title
;A new Ni--Zn heterodinuclear complex:
 [\m~2~-bis(salicylidene)propane-1,3-diaminato]dichlorobis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)zinc(II)
;
_journal_coeditor_code           BV6019
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1804
_journal_page_last               m1806
_journal_paper_doi               10.1107/S1600536805025821
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ni Zn (C17 H16 N2 O2) Cl2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C23 H30 Cl2 N4 Ni O4 Zn'
_chemical_formula_sum            'C23 H30 Cl2 N4 Ni O4 Zn'
_chemical_formula_weight         621.53
_chemical_name_systematic
;
[\m~2~-bis(salicylidene)propane-1,3-
diaminato]dichlorobis(N,N-dimethylformamide)nickel(II)}zinc(II)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 99.010(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4862(3)
_cell_length_b                   15.1938(2)
_cell_length_c                   17.4233(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      26.31
_cell_measurement_theta_min      2.37
_cell_volume                     2741.72(10)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1993)'
_computing_data_reduction        'CAD-4 EXPRESS'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'CAD-4 EXPRESS (Enraf--Nonius, 1993)'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2999
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_standards_decay_%        0.05
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.791
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(Fair, 1990)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_description       prism
_exptl_crystal_F_000             1280.0
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.624
_refine_ls_abs_structure_details 'Flack (1983), 0000 Friedel pairs'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         2886
_refine_ls_number_restraints     3
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.052
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0718P)^2^+2.3115P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                2747
_reflns_number_total             2792
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bv6019.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               2206644
_cod_database_fobs_code          2206644