Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate: an ion-pair complex
Gaye, Papa Aly; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal; Acta Crystallographica Section E 67 (2011) m1269–; doi:10.1107/S1600536811031357

data_2231403
_publ_section_title
;
 Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium)
 tris(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate: an
 ion-pair complex
;
_journal_coeditor_code           BT5577
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1269
_journal_paper_doi               10.1107/S1600536811031357
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C4 H14 N2)2 [Co (C2 O4)3], 2H2 O'
_chemical_formula_moiety         '2(C4 H14 N2 +), C6 Co O12 2-, 2(H2 O)'
_chemical_formula_sum            'C14 H32 Co N4 O14'
_chemical_formula_weight         539.37
_chemical_name_systematic
;
Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium)
tris(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II)
dihydrate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.91(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.625(3)
_cell_length_b                   13.411(4)
_cell_length_c                   16.996(2)
_cell_measurement_reflns_used    5427
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.407
_cell_volume                     2330.7(11)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 2008) and CRYSTALBUILDER (Welter, 2006)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9121
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.38
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.240
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         5333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0468
_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^)+(0.0615P)^2^+2.5540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1329
_reflns_number_gt                4178
_reflns_number_total             5342
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5577.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231403
_cod_database_fobs_code          2231403