Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ<sup>2</sup><i>N</i>',<i>O</i>}cadmium.
Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 698–701; doi:10.1107/S2056989017005308

data_2311369
_publ_section_title
;
 Crystal structures of
 di-bromido-{<i>N</i>-[(pyridin-2-yl-\k<i>N</i>)methyl-idene]picolinohydrazide-\k<sup>2</sup><i>N</i>',<i>O</i>}cadmium
 methanol monosolvate and
 di-iodido{<i>N</i>-[(pyridin-2-yl-\k<i>N</i>)methyl-idene]picolinohydrazide-\k<sup>2</sup><i>N</i>',<i>O</i>}cadmium.
;
_journal_coeditor_code           SU5361
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              698
_journal_page_last               701
_journal_paper_doi               10.1107/S2056989017005308
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cd I2 (C12 H10 N4 O)]'
_chemical_formula_moiety         'C12 H10 Cd I2 N4 O'
_chemical_formula_sum            'C12 H10 Cd I2 N4 O'
_chemical_formula_weight         592.44
_chemical_name_systematic
Diiodido{<i>N</i>-[(pyridin-2-yl-\k<i>N</i>)methylidene]picolinohydrazide-\k^2^<i>N</i>',<i>O</i>}cadmium
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.3840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5264(7)
_cell_length_b                   13.1325(12)
_cell_length_c                   16.5718(15)
_cell_measurement_reflns_used    6468
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.04
_cell_measurement_theta_min      2.46
_cell_volume                     1633.2(3)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2016)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type
'Bruker D8 Venture diffractometer with Photon 100 CMOS detector'
_diffrn_measurement_method
'Sets of exposures each taken over 0.5\% \w rotation'
_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  0.0228
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            3946
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.202
_diffrn_reflns_theta_min         1.981
_exptl_absorpt_coefficient_mu    5.118
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.409
_exptl_crystal_description       plate
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.650
_refine_diff_density_min         -0.390
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+0.6207P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                3193
_reflns_number_total             3946
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5361sup1.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311369
_shelx_hkl_checksum              66588
_shelx_res_checksum              4283