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_2017377
_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 (C13 H14 N2)]'
_chemical_formula_moiety         'C21 H22 Cu2 N2 O8'
_chemical_formula_sum            'C21 H22 Cu2 N2 O8'
_chemical_formula_weight         557.5
_chemical_name_common            'Cooper succinate 1,3-di-4-pyridylpropane)'
_chemical_name_systematic
;
poly[di-\m~4~-succinato-\m~2~-1,3-di-4-pyridylpropane-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                 116.913(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5630(10)
_cell_length_b                   6.4472(7)
_cell_length_c                   24.100(2)
_cell_measurement_reflns_used    532
_cell_measurement_temperature    295
_cell_measurement_theta_max      22.45
_cell_measurement_theta_min      3.06
_cell_volume                     2156.2(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2006)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2006)'
_computing_data_reduction        'XRED32 (Stoe & Cie, 2006)'
_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_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'Stoe IPDS image-plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_sigmaI/netI    0.0981
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25854
_diffrn_reflns_theta_full        27.98
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    2.025
_exptl_absorpt_correction_T_max  0.9602
_exptl_absorpt_correction_T_min  0.7888
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'(JANA2006; Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.7168(3)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.285
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.30
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    0
_refine_ls_number_parameters     248
_refine_ls_number_reflns         5101
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1535
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.0388
_refine_ls_shift/su_mean         0.0081
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0001F^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                1931
_reflns_number_total             5101
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3201.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2017377
_cod_database_fobs_code          2017377