<i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]
Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude; Acta Crystallographica Section E 69 (2013) m397–; doi:10.1107/S160053681301581X

data_2238218
_publ_section_title
;
 <i>catena</i>-Poly[bis(\m~3~-2-phenylacetato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(\m~2~-2-phenylacetato-\k^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>---<i>Cu</i>)]
;
_journal_coeditor_code           LR2106
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m397
_journal_paper_doi               10.1107/S160053681301581X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu2 (C8 H7 O2)4]'
_chemical_formula_moiety         'C32 H28 Cu2 O8'
_chemical_formula_sum            'C32 H28 Cu2 O8'
_chemical_formula_weight         667.62
_chemical_name_systematic
<i>catena</i>-Poly[bis(\m~3~-2-phenylacetato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(\m~2~-2-phenylacetato-\k^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>---<i>Cu</i>)]
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.892(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.1829(6)
_cell_length_b                   26.328(4)
_cell_length_c                   10.2279(13)
_cell_measurement_reflns_used    4583
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.3022
_cell_measurement_theta_min      3.071
_cell_volume                     1382.4(3)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       '\w and \f'
_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  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0727
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4056
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.592
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       box
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.24
_refine_diff_density_min         -1.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0818
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0890P)^2^+25.7899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2497
_refine_ls_wR_factor_ref         0.2543
_reflns_number_gt                1927
_reflns_number_total             2382
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lr2106.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238218
_cod_database_fobs_code          2238218