{2-[(2,5-Dimethylphenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}diiodidozinc(II)
Talei Bavil Olyai, Mohamad Reza; Dehghanpour, Saeed; Hoormehr, Bita; Gholami, Fahimeh; Khavasi, Hamid Reza; Acta Crystallographica Section E 64 (2008) m1191–; doi:10.1107/S1600536808020230

data_2219356
_publ_section_title
{2-[(2,5-Dimethylphenyl)iminomethyl]pyridine-\k^2^<i>N</i>,<i>N</i>'}diiodidozinc(II)
_journal_coeditor_code           HK2486
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1191
_journal_paper_doi               10.1107/S1600536808020230
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn I2 (C14 H14 N2)]'
_chemical_formula_moiety         'C14 H14 I2 N2 Zn1'
_chemical_formula_sum            'C14 H14 I2 N2 Zn'
_chemical_formula_weight         529.46
_chemical_name_systematic
;
{2-[(2,5-Dimethylphenyl)iminomethyl]pyridine-\k^2^N,N'}diiodidozinc(II)
;
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 103.88(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.467(5)
_cell_length_b                   9.627(4)
_cell_length_c                   15.868(6)
_cell_measurement_reflns_used    2112
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.44
_cell_measurement_theta_min      2.49
_cell_volume                     1700.6(12)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.098
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10947
_diffrn_reflns_theta_full        29.44
_diffrn_reflns_theta_max         29.44
_diffrn_reflns_theta_min         2.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.064
_exptl_absorpt_correction_T_max  0.280
_exptl_absorpt_correction_T_min  0.100
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '[X-RED and X-SHAPE (Stoe & Cie, 2005)]'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.974
_refine_diff_density_min         -1.657
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         4498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1439P)^2^+2.419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2298
_reflns_number_gt                4035
_reflns_number_total             4498
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2486.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H14 I2 N2 Zn1'
_cod_database_code               2219356
_cod_database_fobs_code          2219356