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_2311368
_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 Br2 (C12 H10 N4 O)], C H4 O'
_chemical_formula_moiety         'C12 H10 Br2 Cd N4 O, C H4 O'
_chemical_formula_sum            'C13 H14 Br2 Cd N4 O2'
_chemical_formula_weight         530.50
_chemical_name_systematic
'Dibromido{<i>N</i>-[(pyridin-2-yl-\k<i>N</i>)methylidene]picolinohydrazide-\k^2^<i>N</i>',<i>O</i>}cadmium methanol monosolvate'
_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   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.132(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5482(4)
_cell_length_b                   15.7571(8)
_cell_length_c                   14.6407(6)
_cell_measurement_reflns_used    2435
_cell_measurement_temperature    130.00(10)
_cell_measurement_theta_max      74.4246
_cell_measurement_theta_min      3.0280
_cell_volume                     1734.35(15)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2011)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
<i>SHELXL2016/6</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXS2014/7</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      130.00(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Agilent SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6773
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.597
_diffrn_reflns_theta_min         4.131
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.586
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.032
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.0781
_exptl_crystal_size_mid          0.0517
_exptl_crystal_size_min          0.0399
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.760
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         3458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0335
_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^)+(0.0275P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                2764
_reflns_number_total             3458
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5361sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311368
_shelx_hkl_checksum              11826
_shelx_res_checksum              85346