Poly[dimethylammonium [(μ~2~-benzene-1,2-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]cuprate(II)]]
Na, Liu; Acta Crystallographica Section E 69 (2013) m400–m401; doi:10.1107/S1600536813016334

data_2238271
_publ_section_title
;
 Poly[dimethylammonium
 [(\m~2~-benzene-1,2-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^3^)[\m~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-ido-\k^2^<i>N</i>^1^:<i>N</i>^3^]cuprate(II)]]
;
_journal_coeditor_code           TK5232
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m400
_journal_page_last               m401
_journal_paper_doi               10.1107/S1600536813016334
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C2 H8 N) [Cu (C8 H4 O4) (C8 H6 N3)]'
_chemical_formula_moiety         'C2 H8 N +, C16 H10 Cu N3 O4 -'
_chemical_formula_sum            'C18 H18 Cu N4 O4'
_chemical_formula_weight         417.91
_chemical_name_systematic
;Poly[dimethylammonium
[(\m~2~-benzene-1,2-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^3^)[\m~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-ido-\k^2^<i>N</i>^1^:<i>N</i>^3^]cuprate(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.26(3)
_cell_angle_beta                 89.12(3)
_cell_angle_gamma                89.64(3)
_cell_formula_units_Z            2
_cell_length_a                   8.0978(16)
_cell_length_b                   9.7244(19)
_cell_length_c                   11.694(2)
_cell_measurement_reflns_used    8598
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      3.04
_cell_volume                     920.7(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8051
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_T_max  0.7840
_exptl_absorpt_correction_T_min  0.7587
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             430
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0458
_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^)+(0.0557P)^2^+0.9233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                2486
_reflns_number_total             3236
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk5232.cif
_cod_data_source_block           I
_cod_database_code               2238271
_cod_database_fobs_code          2238271