Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]]
Dickie, Diane A.; Kemp, Richard A.; Acta Crystallographica Section E 72 (2016) 1780–1782; doi:10.1107/S2056989016017631

data_2241944
_publ_section_title
;
 Crystal structure of <i>catena</i>-poly[diammonium
 [di-\m-oxalato-cuprate(II)]]
;
_journal_coeditor_code           PJ2038
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1780
_journal_page_last               1782
_journal_paper_doi               10.1107/S2056989016017631
_journal_volume                  72
_journal_year                    2016
_chemical_formula_moiety         '2(H4 N1 +), C4 Cu O8 2-'
_chemical_formula_sum            'C4 H8 Cu N2 O8'
_chemical_formula_weight         275.66
_chemical_name_common            '(N H4)2 [Cu (C2 O4)2]'
_chemical_name_systematic
;
<i>catena</i>-Poly[diammonium [di-\m-oxalato-cuprate(II)]]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_cell_angle_alpha                90
_cell_angle_beta                 96.992(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8564(2)
_cell_length_b                   13.5188(5)
_cell_length_c                   6.7205(3)
_cell_measurement_reflns_used    5449
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      33.1333
_cell_measurement_theta_min      3.0137
_cell_volume                     437.94(3)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
<i>BIS</i> (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8277
_diffrn_reflns_theta_full        33.15
_diffrn_reflns_theta_max         33.15
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    2.526
_exptl_absorpt_correction_T_max  0.54
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             278
_exptl_crystal_size_max          0.434
_exptl_crystal_size_mid          0.278
_exptl_crystal_size_min          0.278
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.513
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     86
_refine_ls_number_reflns         1672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+0.1971P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0509
_reflns_number_gt                1537
_reflns_number_total             1672
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pj2038sup1.cif
_cod_data_source_block           I
_cod_database_code               2241944
_cod_database_fobs_code          2241944
_shelx_hkl_checksum              23565
_shelx_res_checksum              66019