Bis(2-acetyl-1-naphtholato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Rayati, Saeed; Yaftian, Mohammad Reza; Khavasi, Hamid Reza; Acta Crystallographica Section E 63 (2007) m898–m899; doi:10.1107/S1600536807008161

data_2212605
_publ_section_title
;
 Bis(2-acetyl-1-naphtholato-\k^2^<i>O</i>,<i>O</i>')copper(II)
;
_journal_coeditor_code           HK2206
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m898
_journal_page_last               m899
_journal_paper_doi               10.1107/S1600536807008161
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C12 H9 O2)2]'
_chemical_formula_moiety         'C24 H18 Cu1 O4'
_chemical_formula_sum            'C24 H18 Cu O4'
_chemical_formula_weight         433.93
_chemical_name_systematic
;
Bis(2-acetyl-1-naphtholato-\k^2^O,O')copper(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.264(3)
_cell_length_b                   6.1442(12)
_cell_length_c                   21.134(5)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      29.25
_cell_measurement_theta_min      1.93
_cell_volume                     1852.2(7)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1001
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10449
_diffrn_reflns_theta_full        29.25
_diffrn_reflns_theta_max         29.25
_diffrn_reflns_theta_min         1.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.209
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'shape of crystal determined optically [Provide reference]'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.753
_refine_diff_density_min         -1.516
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         2501
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_gt           0.0788
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0986P)^2^+5.0896P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2181
_reflns_number_gt                1885
_reflns_number_total             2501
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2206.cif
_cod_data_source_block           I
_cod_original_cell_volume        1852.1(7)
_cod_original_formula_sum        'C24 H18 Cu1 O4'
_cod_database_code               2212605
_cod_database_fobs_code          2212605