Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2,2-dimethyl-<i>N</i>-(pyridin-2-yl)propanamide-κ<i>N</i>^1^]copper(II)}(<i>Cu</i>—<i>Cu</i>)
Asem, Samuel; Buchanan, Robert M.; Mashuta, Mark S.; Acta Crystallographica Section E 67 (2011) m1892–m1893; doi:10.1107/S1600536811050124

data_2232943
_publ_section_title
;
 Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis{[2,2-dimethyl-<i>N</i>-(pyridin-2-yl)propanamide-\k<i>N</i>^1^]copper(II)}(<i>Cu</i>---<i>Cu</i>)
;
_journal_coeditor_code           SJ5186
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1892
_journal_page_last               m1893
_journal_paper_doi               10.1107/S1600536811050124
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu2 (C2 H3 O2)4 (C10 H14 N2 O1)2]'
_chemical_formula_moiety         'C28 H40 Cu2 N4 O10'
_chemical_formula_sum            'C28 H40 Cu2 N4 O10'
_chemical_formula_weight         719.74
_chemical_name_systematic
Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis{[2,2-dimethyl-<i>N</i>-(pyridin-2-yl)propanamide-\k<i>N</i>^1^]copper(II)}(<i>Cu</i>---<i>Cu</i>)
_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                 104.508(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8508(8)
_cell_length_b                   11.0612(5)
_cell_length_c                   11.0301(6)
_cell_measurement_reflns_used    4128
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8166
_cell_measurement_theta_min      3.5465
_cell_volume                     1636.00(16)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.2836
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Ruby Gemini'
_diffrn_measurement_method       '\w scans'
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7567
_diffrn_reflns_theta_full        27.06
_diffrn_reflns_theta_max         27.06
_diffrn_reflns_theta_min         3.55
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_T_max  0.602
_exptl_absorpt_correction_T_min  0.581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2010)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.576
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0434P)^2^+1.8750P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                3070
_reflns_number_total             3515
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5186.cif
_cod_data_source_block           I
_cod_original_cell_volume        1635.98(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232943
_cod_database_fobs_code          2232943