<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]
Jedidi Ferjani; Graia Mohsen; Tahar Jouini; Acta Crystallographica Section C 61 (2005) m237–m239; doi:10.1107/S010827010500435X

data_2014781
_publ_section_title
;<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]-\m-oxalato]
 tetrahydrate]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m237
_journal_page_last               m239
_journal_paper_doi               10.1107/S010827010500435X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu (C2 O4) (C6 H16 N2)], 4H2 O'
_chemical_formula_moiety         'C8 H16 Cu N2 O4, 4H2 O'
_chemical_formula_sum            'C8 H24 Cu N2 O8'
_chemical_formula_weight         339.83
_chemical_name_common
;
catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-\m-oxalato]
tetrahydrate]
;
_chemical_name_systematic
;
catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-\m-oxalato]
tetrahydrate]
;
_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                101.39(3)
_cell_angle_beta                 98.05(2)
_cell_angle_gamma                92.70(3)
_cell_formula_units_Z            2
_cell_length_a                   7.405(2)
_cell_length_b                   8.890(4)
_cell_length_c                   11.883(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10
_cell_volume                     757.0(5)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2002)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_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            3555
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0.98
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.476
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.676
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_density_meas      1.48
_exptl_crystal_density_method    flottation
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             358
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.559
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3292
_refine_ls_number_restraints     117
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0320
_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^)+(0.0592P)^2^+0.1027P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                2920
_reflns_number_total             3295
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn1074.cif
_cod_data_source_block           I
_cod_original_cell_volume        757.1(5)
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               2014781
_cod_database_fobs_code          2014781