Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis[4-(dimethylamino)pyridine-κ<i>N</i>]copper(II)
Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Acta Crystallographica Section E 67 (2011) m235–; doi:10.1107/S1600536811002017

data_2229246
_publ_section_title
;
 Bis(acetato-\k^2^<i>O</i>,<i>O</i>')bis[4-(dimethylamino)pyridine-\k<i>N</i>]copper(II)
;
_journal_coeditor_code           SU2247
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m235
_journal_paper_doi               10.1107/S1600536811002017
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C2 H3 O2)2 (C7 H10 N2)2]'
_chemical_formula_moiety         'C18 H26 Cu N4 O4'
_chemical_formula_sum            'C18 H26 Cu N4 O4'
_chemical_formula_weight         425.98
_chemical_name_systematic
;
Bis(acetato-\k^2^<i>O</i>,<i>O</i>')bis[4-(dimethylamino)pyridine-
\k<i>N</i>]copper(II)
;
_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
_cell_angle_alpha                90.701(2)
_cell_angle_beta                 96.992(2)
_cell_angle_gamma                92.949(2)
_cell_formula_units_Z            1
_cell_length_a                   7.6930(2)
_cell_length_b                   7.8331(2)
_cell_length_c                   8.2206(2)
_cell_measurement_reflns_used    10054
_cell_measurement_temperature    180
_cell_measurement_theta_max      29.0098
_cell_measurement_theta_min      3.4195
_cell_volume                     490.95(2)
_computing_cell_refinement       'CrysAlis PRO (Agilent Technologies, 2010)'
_computing_data_collection       'CrysAlis PRO (Agilent Technologies, 2010)'
_computing_data_reduction        'CrysAlis PRO (Agilent Technologies, 2010)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CRYSTALS (Betteridge <i>et al.</i>, 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge <i>et al.</i>, 2003)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      180
_diffrn_detector_area_resol_mean 16.1978
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'Agilent Xcalibur Eos Gemini-ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10140
_diffrn_reflns_theta_full        26.457
_diffrn_reflns_theta_max         29.074
_diffrn_reflns_theta_min         3.426
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.143
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[ABSPACK in CrysAlis PRO
(Agilent Technologies, 2010)]
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             223
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.0010498
_refine_ls_shift/su_mean         0.0001967
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Method= Modified Sheldrick
w=1/[\s^2^(F^2^)+(0.10P)^2^+0.00P], where P=p(6)*max(Fo^2^,0)+(1-p(6))Fc^2^
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1146
_refine_ls_wR_factor_gt          0.1141
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                2307
_reflns_number_total             2362
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2247.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               2229246
_cod_database_fobs_code          2229246