Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane
González Garmendia, M. J.; Nacianceno, V. San; Seco, J. M.; Zúñiga, F. J.; Acta Crystallographica Section C 65 (2009) m436–m439; doi:10.1107/S0108270109040566

data_2017376
_publ_section_title
;
 Copper(II) succinate complexes with 1,2-di-4-pyridylethane and
 1,3-di-4-pyridylpropane
;
_journal_coeditor_code           FA3201
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m436
_journal_page_last               m439
_journal_paper_doi               10.1107/S0108270109040566
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C4 H4 O4)2 (C12 H12 N2)]'
_chemical_formula_moiety         'C10 H10 Cu1 N1 O4'
_chemical_formula_sum            'C10 H10 Cu N O4'
_chemical_formula_weight         271.7
_chemical_name_common            'Cooper succinate 1,3-di-4-pyridylethane'
_chemical_name_systematic
;
poly[di-\m~4~-succinato-\m~2~-1,2-di-4-pyridylethane-dicopper(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.55(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.342(2)
_cell_length_b                   6.4613(10)
_cell_length_c                   15.269(4)
_cell_measurement_reflns_used    852
_cell_measurement_temperature    295
_cell_measurement_theta_max      32.5007
_cell_measurement_theta_min      2.7322
_cell_volume                     1001.0(4)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2006)'
_computing_structure_refinement
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2006)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      295
_diffrn_detector_area_resol_mean 8.3504
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Make? Model? CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_sigmaI/netI    0.2884
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10503
_diffrn_reflns_reduction_process 'CrysAlis RED (Oxford Diffraction, 2007)'
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    2.178
_exptl_absorpt_correction_T_max  0.9595
_exptl_absorpt_correction_T_min  0.7629
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'(JANA2006; Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.8027(6)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.1565
_exptl_crystal_size_mid          0.155
_exptl_crystal_size_min          0.019
_refine_diff_density_max         1.83
_refine_diff_density_min         -0.97
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.99
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2885
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2113
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.0496
_refine_ls_shift/su_mean         0.0039
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0004F^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0466
_refine_ls_wR_factor_ref         0.0683
_reflns_number_gt                1225
_reflns_number_total             2885
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3201.cif
_cod_data_source_block           I
_cod_original_cell_volume        1000.9(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H10 Cu1 N1 O4'
_cod_database_code               2017376
_cod_database_fobs_code          2017376