<i>catena</i>-Poly[triethylammonium [[tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-dicuprate(II)]-μ-acetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]
Bugenhagen, Bernhard E. C.; Prosenc, Marc H.; Acta Crystallographica Section E 68 (2012) m1142–; doi:10.1107/S1600536812033405

data_2236332
_publ_section_title
;
 <i>catena</i>-Poly[triethylammonium
 [[tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-dicuprate(II)]-\m-acetato-\k^2^<i>O</i>:<i>O</i>']
 tetrahydrofuran monosolvate]
;
_journal_coeditor_code           HP2044
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1142
_journal_paper_doi               10.1107/S1600536812033405
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C6 H16 N) [Cu2 (C2 H3 O2)5], C4 H8 O'
_chemical_formula_moiety         'C6 H16 N +, C10 H15 Cu2 O10 -, C4 H8 O'
_chemical_formula_sum            'C20 H39 Cu2 N O11'
_chemical_formula_weight         596.60
_chemical_name_common
Triethylammoniumpentaacetatodicuprate(II)-THF-monosolvate
_chemical_name_systematic
;
<i>catena</i>-Poly[triethylammonium
[[tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-dicuprate(II)]-
\m-acetato-\k^2^<i>O</i>:<i>O</i>'] tetrahydrofuran monosolvate]
;
_space_group_crystal_system      monoclinic
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.9560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1520(2)
_cell_length_b                   12.2726(2)
_cell_length_c                   18.7306(3)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      33.99
_cell_measurement_theta_min      2.36
_cell_volume                     2572.19(7)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrik, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrik, 2008)
;
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'multi-layer optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0114
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            102874
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_T_max  0.7473
_exptl_absorpt_correction_T_min  0.6806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            'clear dark blue'
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.253
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.062
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0203P)^2^+2.3331P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                4047
_reflns_number_total             4713
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hp2044.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236332
_cod_database_fobs_code          2236332