Bis{μ~2~-2-[2-(dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)]
Chen, Hsuan-Ying; Lin, Chu-Chieh; Acta Crystallographica Section E 62 (2006) m1693–m1694; doi:10.1107/S1600536806024093

data_2209395
_publ_section_title
;
 Bis{\m~2~-2-[2-(dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)]
;
_journal_coeditor_code           BI2022
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1693
_journal_page_last               m1694
_journal_paper_doi               10.1107/S1600536806024093
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn2 (C11 H15 N2 O)2 Cl2]'
_chemical_formula_moiety         'C22 H30 Cl2 N4 O2 Zn2'
_chemical_formula_sum            'C22 H30 Cl2 N4 O2 Zn2'
_chemical_formula_weight         584.14
_chemical_name_systematic
;
Bis{\m~2~-2-[2-
(dimethylamino)ethyliminomethyl]phenolato}bis[chlorozinc(II)]
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 91.634(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6532(9)
_cell_length_b                   24.206(3)
_cell_length_c                   13.6466(16)
_cell_measurement_reflns_used    3728
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      24.221
_cell_measurement_theta_min      2.244
_cell_volume                     2527.1(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14165
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.135
_exptl_absorpt_correction_T_max  0.808
_exptl_absorpt_correction_T_min  0.487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4992
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.03P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0815
_reflns_number_gt                3151
_reflns_number_total             4992
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2022.cif
_cod_data_source_block           I
_cod_original_cell_volume        2527.0(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209395
_cod_database_fobs_code          2209395