Tetrakis(μ-naphthalene-1-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
Xia, H.-T; Liu, Y.-F; Li, S.-A; Acta Crystallographica Section E 62 (2006) m2653–m2655; doi:10.1107/S1600536806037378

data_2210819
_publ_section_title
;Tetrakis(\m-naphthalene-1-acetato-\k^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)copper(II)]
 <i>N</i>,<i>N</i>-dimethylformamide disolvate
;
_journal_coeditor_code           WW2027
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2653
_journal_page_last               m2655
_journal_paper_doi               10.1107/S1600536806037378
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu2 (C12 H9 O2)4 (C3 H7 N O)2], 2C3 H7 N O'
_chemical_formula_moiety         'C54 H50 Cu2 N2 O10, 2C3 H7 N O'
_chemical_formula_sum            'C60 H64 Cu2 N4 O12'
_chemical_formula_weight         1160.23
_chemical_name_systematic
;
Tetrakis(\m-naphthalene-1-acetato-\k^2^O:O')bis[(N,N-dimethylformamide-
\kO)copper(II)] N,N-dimethylformamide disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                73.506(2)
_cell_angle_beta                 84.991(2)
_cell_angle_gamma                65.205(2)
_cell_formula_units_Z            1
_cell_length_a                   10.056(2)
_cell_length_b                   11.936(2)
_cell_length_c                   13.636(2)
_cell_measurement_reflns_used    3088
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.373
_cell_measurement_theta_min      2.494
_cell_volume                     1423.7(4)
_computing_cell_refinement       <i>SMART</i>
_computing_data_collection       '<i>SMART</i> (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material
'SHELXTL and MERCURY (Macrae <i>et al.</i>,  2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0157
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7495
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  0.8480
_exptl_absorpt_correction_T_min  0.7065
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         4948
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0403P)^2^+0.6167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                3999
_reflns_number_total             4948
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww2027.cif
_cod_data_source_block           I
_cod_database_code               2210819
_cod_database_fobs_code          2210819