{Tris[2-(2-pyridylmethyleneamino-κ^2^<i>N</i>,<i>N</i>')ethyl]amine}cadmium(II) bis(perchlorate)
He, Hong-Shan; Acta Crystallographica Section E 63 (2007) m346–m347; doi:10.1107/S1600536806056261

data_2212350
_publ_section_title
;{Tris[2-(2-pyridylmethyleneamino-\k^2^<i>N</i>,<i>N</i>')ethyl]amine}cadmium(II)
 bis(perchlorate)
;
_journal_coeditor_code           SA2029
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m346
_journal_page_last               m347
_journal_paper_doi               10.1107/S1600536806056261
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C24 H27 N7)] (Cl O4)2'
_chemical_formula_moiety         'C24 H27 Cd N7 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C24 H27 Cd Cl2 N7 O8'
_chemical_formula_weight         724.83
_chemical_name_systematic
;
{Tris[2-(2-pyridylmethyleneamino-\k^2^N,N')ethyl]amine}cadmium(II)
bis(perchlorate)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 101.1400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.4372(3)
_cell_length_b                   10.89770(10)
_cell_length_c                   19.6203(2)
_cell_measurement_reflns_used    44848
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      1.46
_cell_volume                     5965.77(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'Ortep3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGx (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       '\f and \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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0127
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            66248
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.46
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.969
_exptl_absorpt_correction_T_max  0.8298
_exptl_absorpt_correction_T_min  0.7598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.052
_refine_diff_density_min         -0.471
_refine_ls_extinction_coef       0.00032(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         5866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0362
_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^)+(0.0656P)^2^+9.6103P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1131
_reflns_number_gt                4911
_reflns_number_total             5866
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sa2029.cif
_cod_data_source_block           I
_cod_original_cell_volume        5965.77(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2212350
_cod_database_fobs_code          2212350