Synthesis, Crystal Structure, and Magnetic Properties of a One-Dimensional Polymeric Copper(II) Complex Containing an Unusual 1,1'-Bicoordinated Oxalato Bridge
Oscar Castillo; Antonio Luque; Jon Sertucha; Pascual Román; Francesc Lloret; Inorganic Chemistry 39 (2000) 6142–6144; doi:10.1021/ic000543+

data_4327629
_publ_contact_author
;
'Antonio Luque. Departamento de Quimica Inorganica. Facultad de Ciencias
 Universidad del Pais Vasco,  Apdo. 644, E-48080 Bilbao, Spain'
;
_publ_contact_author_email       qipluara@lg.ehu.es
_publ_contact_author_fax         '+34-94 464 85 00'
_publ_contact_author_phone       '+34-94 601 27 01'
_publ_section_title
;
 Synthesis, Crystal Structure, and Magnetic Properties of a
 One-Dimensional Polymeric Copper(II) Complex Containing an Unusual
 1,1'-Bicoordinated Oxalato Bridge
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6142
_journal_page_last               6144
_journal_paper_doi               10.1021/ic000543+
_journal_volume                  39
_journal_year                    2000
_chemical_compound_source        'aqueous synthesis'
_chemical_formula_structural     '[Cu(C2O4)(H2O)(C5N2H6)2]'
_chemical_formula_sum            'C12 H14 Cu N4 O5'
_chemical_formula_weight         357.82
_chemical_name_systematic
;
 catena-[(mu!2$-oxalato-0,0')-{aqua-bis(4-aminopyridine)-copper(II)}]
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90
_cell_angle_beta                 108.12(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.644(2)
_cell_length_b                   6.357(1)
_cell_length_c                   6.752(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.15
_cell_measurement_theta_min      4.95
_cell_volume                     678.97(17)
_computing_cell_refinement       'local programs'
_computing_data_collection       'CAD4 programs'
_computing_data_reduction        'XRAY-76 (Stewart, 1976)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'XRAY-76 (Stewart, 1976)'
_computing_structure_solution    'DIRDIF-92 (Beurskens, 1992)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD4 diffractometer'
_diffrn_measurement_method       '\w/2\q mode'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'x-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1190
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  7200
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.64
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Absorption correction by means of DIFABS (Walker and Stuart, 1983)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_meas      1.76(1)
_exptl_crystal_density_method    flotation
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             366
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.97
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_goodness_of_fit_ref   1.49
_refine_ls_hydrogen_treatment    isotropic
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1075
_refine_ls_R_factor_all          0.056
_refine_ls_R_factor_gt           0.047
_refine_ls_shift/esd_mean        0.02
_refine_ls_shift/su_max          0.15
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      'PESOS (Martinez-Ripoll, 1975)'
_refine_ls_wR_factor_all         0.057
_refine_ls_wR_factor_ref         0.054
_reflns_number_gt                985
_reflns_number_total             1075
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic0005432B.cif
_cod_data_source_block           compound1
_cod_original_cell_volume        679.0(2)
_cod_original_formula_sum        'C12 H14 Cu1 N4 O5'
_cod_database_code               4327629