Bis[2-(ethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(saccharinato-κ<i>N</i>)cadmium(II)
Yilmaz, Veysel T.; Kazak, Canan; Acta Crystallographica Section E 63 (2007) m2947–m2947; doi:10.1107/S1600536807056036

data_2216491
_publ_section_title
Bis[2-(ethylamino)ethanol-\k^2^<i>N</i>,<i>O</i>]bis(saccharinato-\k<i>N</i>)cadmium(II)
_journal_coeditor_code           HB2635
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2947
_journal_page_last               m2947
_journal_paper_doi               10.1107/S1600536807056036
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C7 H4 N O3 S)2 (C4 H11 N O)2]'
_chemical_formula_moiety         'C22 H30 Cd N4 O8 S2'
_chemical_formula_sum            'C22 H30 Cd N4 O8 S2'
_chemical_formula_weight         655.05
_chemical_name_systematic
;
Bis[2-(ethylamino)ethanol-\k^2^N,O]bis(saccharinato-\kN)cadmium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 93.061(6)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.7961(6)
_cell_length_b                   19.2676(19)
_cell_length_c                   8.8162(7)
_cell_measurement_reflns_used    21565
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.11
_cell_volume                     1322.4(2)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP 3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 19993)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            21045
_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         27.35
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.037
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.417
_refine_diff_density_min         -1.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2980
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      2.056
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0850P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                2013
_reflns_number_total             2980
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2635.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2216491
_cod_database_fobs_code          2216491