<i>N</i>,<i>N</i>'-Dimethylethylenediammonium dioxalatocuprate(II)
Gaye, Papa Aly; Sarr, Aminata Diassé; Gaye, Mohamed; Sanselme, Morgane; Agasse, Peulon Valérie; Acta Crystallographica Section E 67 (2011) m1046–; doi:10.1107/S1600536811025682

data_2231341
_publ_section_title
;
 <i>N</i>,<i>N</i>'-Dimethylethylenediammonium dioxalatocuprate(II)
;
_journal_coeditor_code           WM2502
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1046
_journal_paper_doi               10.1107/S1600536811025682
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C4 H14 N2) [Cu (C2 O4)2]'
_chemical_formula_moiety         'C4 H14 N2 2+, C4 Cu O8 2-'
_chemical_formula_sum            'C8 H14 Cu N2 O8'
_chemical_formula_weight         329.75
_chemical_name_systematic
;
<i>N</i>,<i>N</i>'-Dimethylethylenediammonium dioxalatocuprate(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
_cell_angle_alpha                90.4430(10)
_cell_angle_beta                 100.7150(10)
_cell_angle_gamma                107.1880(10)
_cell_formula_units_Z            2
_cell_length_a                   5.7734(5)
_cell_length_b                   8.4127(7)
_cell_length_c                   12.5623(11)
_cell_measurement_reflns_used    2192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.65
_cell_volume                     571.46(9)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0141
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4558
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    1.953
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             338
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2292
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.2106P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.07
_reflns_number_gt                2192
_reflns_number_total             2292
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2502.cif
_cod_data_source_block           I
_cod_original_cell_volume        571.46(8)
_cod_database_code               2231341
_cod_database_fobs_code          2231341