Dichlorido{2-[(4-iodophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}zinc(II)
Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Mehdi; Salmanpour, Sadegh; Adib, Mitra; Acta Crystallographica Section E 63 (2007) m2841–m2841; doi:10.1107/S1600536807051999

data_2216136
_publ_section_title
Dichlorido{2-[(4-iodophenyl)iminomethyl]pyridine-\k^2^<i>N</i>,<i>N</i>'}zinc(II)
_journal_coeditor_code           SJ2381
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2841
_journal_page_last               m2841
_journal_paper_doi               10.1107/S1600536807051999
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn Cl2 (C12 H9 I N2)]'
_chemical_formula_moiety         'C12 H9 Cl2 I N2 Zn'
_chemical_formula_sum            'C12 H9 Cl2 I N2 Zn'
_chemical_formula_weight         444.38
_chemical_name_systematic
;
Dichlorido{2-[(4-iodophenyl)iminomethyl]pyridine-
\k^2^<i>N</i>,<i>N</i>'}zinc(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.790(2)
_cell_angle_beta                 72.613(2)
_cell_angle_gamma                88.926(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5680(6)
_cell_length_b                   8.5363(6)
_cell_length_c                   10.8772(8)
_cell_measurement_reflns_used    3201
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.90
_cell_measurement_theta_min      2.39
_cell_volume                     670.47(9)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'APEX2 (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1998)'
_computing_publication_material  'SHELXTL (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1998)'
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7690
_diffrn_reflns_theta_full        29.62
_diffrn_reflns_theta_max         29.62
_diffrn_reflns_theta_min         9.95
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.513
_exptl_absorpt_correction_T_max  0.5509
_exptl_absorpt_correction_T_min  0.3446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(APEX2; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.197
_refine_diff_density_min         -1.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         3470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0610
_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^)+(0.0347P)^2^+10.4724P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                2895
_reflns_number_total             3470
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2381.cif
_cod_data_source_block           I
_cod_database_code               2216136
_cod_database_fobs_code          2216136