Dichlorido[3-dimethylamino-<i>N</i>-(2-pyridylmethylene)propylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium(II)
Lin, Hong; Geng, Xiao-Hong; Feng, Yun-Long; Acta Crystallographica Section E 64 (2008) m1518–; doi:10.1107/S1600536808035915

data_2220039
_publ_contact_author
;
     Hong LIN
     Jinhua Prodessional-Technical College,
     Jinhua, Zhejiang 321007,
     People's Republic of China
;
_publ_section_title
Dichlorido[3-dimethylamino-<i>N</i>-(2-pyridylmethylene)propylamine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium(II)
_journal_coeditor_code           AT2652
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1518
_journal_paper_doi               10.1107/S1600536808035915
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd (C11 H17 N3 ) Cl2]'
_chemical_formula_moiety         'C11 H17 Cd Cl2 N3'
_chemical_formula_sum            'C11 H17 Cd Cl2 N3'
_chemical_formula_weight         374.59
_chemical_name_systematic
;
Dichlorido[3-dimethylamino-<i>N</i>-(2-pyridylmethylene)propylamine-
\k^3^<i>N</i>,<i>N</i>',<i>N</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                97.81(3)
_cell_angle_beta                 103.95(3)
_cell_angle_gamma                111.11(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6407(15)
_cell_length_b                   9.0312(18)
_cell_length_c                   11.860(2)
_cell_measurement_reflns_used    3284
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.83
_cell_volume                     718.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       '\w scans'
_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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_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            12281
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.875
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.6315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             372
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.720
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         3251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0182
_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^)+(0.0281P)^2^+0.1317P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0491
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                3149
_reflns_number_total             3251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            at2652.cif
_cod_data_source_block           I
_cod_database_code               2220039
_cod_database_fobs_code          2220039