(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)
Jamaluddin, Nur Amirah; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.; Acta Crystallographica Section E 67 (2011) m384–m385; doi:10.1107/S1600536811006878

data_2229477
_publ_section_title
;
 (2,2'-Bipyridyl-\k^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>-methyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>')cadmium(II)
;
_journal_coeditor_code           PK2304
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m384
_journal_page_last               m385
_journal_paper_doi               10.1107/S1600536811006878
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C6 H12 N S2)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C22 H32 Cd N4 S4'
_chemical_formula_sum            'C22 H32 Cd N4 S4'
_chemical_formula_weight         593.16
_chemical_name_systematic
;
(2,2'-Bipyridyl-\k^2^<i>N</i>,<i>N</i>')bis(<i>N</i>-butyl-<i>N</i>-
methyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>')cadmium(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                81.566(3)
_cell_angle_beta                 74.790(3)
_cell_angle_gamma                83.641(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3215(4)
_cell_length_b                   10.6465(4)
_cell_length_c                   12.4546(5)
_cell_measurement_reflns_used    8976
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      2.0
_cell_volume                     1302.63(9)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1952
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Diffraction Xcaliber Eos Gemini'
_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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15837
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.32
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_T_max  0.9898
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2010)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.506
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5393
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0290
_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^)+(0.0248P)^2^+0.0565P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                4623
_reflns_number_total             5393
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2304.cif
_cod_data_source_block           I
_cod_original_cell_volume        1302.64(9)
_cod_database_code               2229477
_cod_database_fobs_code          2229477