Nanostructured Magnetic Cuprate Cluster: Synthesis, Structure, UV-Vis Spectroscopy, and Magnetic Properties of a New Copper(II) Arsenate NaCuAsO4 Containing Discrete [Cu4O16]24- Clusters
Mutlu Ulutagay-Kartin; Shiou-Jyh Hwu; Jeffrey A. Clayhold; Inorganic Chemistry 42 (2003) 2405–2409; doi:10.1021/ic026169q

data_4313436
_publ_section_title
;
 Nanostructured Magnetic Cuprate Cluster: Synthesis, Structure, UV-Vis
 Spectroscopy, and Magnetic Properties of a New Copper(II) Arsenate
 NaCuAsO4 Containing Discrete [Cu4O16]24- Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2405
_journal_page_last               2409
_journal_paper_doi               10.1021/ic026169q
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'As2 Cu2 Na2 O8'
_chemical_formula_weight         450.90
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.50(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.0016(12)
_cell_length_b                   10.853(2)
_cell_length_c                   10.373(2)
_cell_measurement_temperature    293(2)
_cell_volume                     675.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1684
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    16.163
_exptl_crystal_density_diffrn    4.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             840
_refine_diff_density_max         1.623
_refine_diff_density_min         -1.533
_refine_diff_density_rms         0.300
_refine_ls_extinction_coef       0.0400(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0248
_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^)+(0.0406P)^2^+1.1536P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                1433
_reflns_number_total             1541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic026169qsi20030110_110041.cif
_cod_data_source_block           NaCuAsO4
_cod_database_code               4313436