Synthesis, crystal structure and magnetic properties of a new copper oxo-antimony sulphate CuSb6O8(SO4)2.
Zimmermann, Iwan; Kremer, Reinhard K.; Hu, Shichao; Johnsson, Mats; Dalton transactions (Cambridge, England : 2003) 45 (2015) 392–396; doi:10.1039/c5dt04157k

data_7037304
_publ_section_title
;
 Synthesis, crystal structure and magnetic properties of a new copper
 oxo-antimony sulphate CuSb6O8(SO4)2.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              392
_journal_page_last               396
_journal_paper_doi               10.1039/c5dt04157k
_journal_volume                  45
_journal_year                    2015
_chemical_formula_sum            'Cu O16 S2 Sb6'
_chemical_formula_weight         1114.16
_chemical_name_systematic
; 
 ? 
;
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.505(5)
_cell_angle_beta                 93.818(4)
_cell_angle_gamma                109.733(4)
_cell_formula_units_Z            1
_cell_length_a                   5.5342(4)
_cell_length_b                   7.6706(6)
_cell_length_c                   9.2374(7)
_cell_measurement_temperature    293(2)
_cell_volume                     364.42(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford diffraction'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7313
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    12.756
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    5.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             495
_exptl_crystal_size_max          0.0660
_exptl_crystal_size_mid          0.0270
_exptl_crystal_size_min          0.0186
_refine_diff_density_max         2.129
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.257
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1483
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.257
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0156P)^2^+9.4711P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                1286
_reflns_number_total             1483
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04157k1.cif
_cod_data_source_block           CuSb6O8_SO4_2
_cod_depositor_comments          'Adding full bibliography for 7037304.cif.'
_cod_database_code               7037304