<i>catena</i>-Poly[[tetrakis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>'-[bis[μ~2~-3-(dimethylamino)propan-1-olato]-κ^2^<i>N</i>,<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>,<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)copper(II)]]-μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>']
Shahid, Muhammad; Mazhar, Muhammad; Helliwell, Madeleine; Akhtar, Javeed; Ahmad, Kibriya; Acta Crystallographica Section E 64 (2008) m1139–m1140; doi:10.1107/S1600536808024148

data_2219234
_publ_section_title
<i>catena</i>-Poly[[tetrakis(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>---<i>Cu</i>)]-\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>'-[bis[\m~2~-3-(dimethylamino)propan-1-olato]-\k^2^<i>N</i>,<i>O</i>:<i>O</i>;\k^2^<i>O</i>:<i>N</i>,<i>O</i>-bis[(tetrahydrofuran-\k<i>O</i>)copper(II)]]-\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           BH2182
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1139
_journal_page_last               m1140
_journal_paper_doi               10.1107/S1600536808024148
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu4 (C5 H12 N O)2 (C2 H3 O2)6 (C4 H8 O)2]'
_chemical_formula_moiety         'C30 H58 Cu4 N2 O16'
_chemical_formula_sum            'C30 H58 Cu4 N2 O16'
_chemical_formula_weight         956.94
_chemical_name_systematic
;
<i>catena</i>-Poly[[tetrakis(\m~2~-acetato-
\k^2^<i>O</i>:<i>O</i>')dicopper(II)(Cu---Cu)]-\m~2~-
acetato-\k^2^<i>O</i>:<i>O</i>'-[bis[\m~2~-3-(dimethylamino)propan-1-olato]-
\k^2^<i>N</i>,<i>O</i>:<i>O</i>;\k^2^<i>O</i>:<i>N</i>,<i>O</i>-
bis[(tetrahydrofuran-\k<i>O</i>)copper(II)]]-\m~2~-acetato-
\k^2^<i>O</i>:<i>O</i>']
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 105.782(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.686(5)
_cell_length_b                   8.972(5)
_cell_length_c                   18.021(5)
_cell_measurement_reflns_used    2913
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.36
_cell_volume                     3996(3)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15315
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    2.168
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.890
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4093
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0749
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0593P)^2^+6.3428P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1499
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                3300
_reflns_number_total             4093
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2182.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2219234
_cod_database_fobs_code          2219234