Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium
Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Yazdi, Seyed Abolfazl Hosseini; Afkhami, Farhad Akbari; Acta Crystallographica Section E 68 (2012) m842–; doi:10.1107/S1600536812023185

data_2235276
_publ_section_title
;
 Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-\k^2^<i>N</i>',<i>O</i>}cadmium
;
_journal_coeditor_code           VM2176
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m842
_journal_paper_doi               10.1107/S1600536812023185
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cd Br2 (C13 H12 N4 O)]'
_chemical_formula_moiety         'C13 H12 Br2 Cd N4 O'
_chemical_formula_sum            'C13 H12 Br2 Cd N4 O'
_chemical_formula_weight         512.48
_chemical_name_systematic
;
Dibromido{<i>N</i>'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-
\k^2^<i>N</i>',<i>O</i>}cadmium
;
_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
_cell_angle_beta                 90.5500(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1336(3)
_cell_length_b                   13.6111(5)
_cell_length_c                   14.6102(5)
_cell_measurement_reflns_used    545
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.3
_cell_measurement_theta_min      4.2
_cell_volume                     1617.38(10)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15317
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        28.09
_diffrn_reflns_theta_max         28.09
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    6.294
_exptl_absorpt_correction_T_max  0.365
_exptl_absorpt_correction_T_min  0.267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.537
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3874
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0245P)^2^+0.5132P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                2859
_reflns_number_total             3874
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vm2176.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2235276
_cod_database_fobs_code          2235276