Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O
Mirčeva, A.; Golič, L.; Acta Crystallographica Section C 51 (1995) 175–177; doi:10.1107/S0108270194003203

data_2010420
_publ_section_title
;
 Hydroxylammonium Scandium Sulfate Sesquihydrate,
 Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              175
_journal_page_last               177
_journal_paper_doi               10.1107/S0108270194003203
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'H4 N O9 S2 Sc , 1.5H2 O'
_chemical_formula_sum            'H7 N O10.5 S2 Sc'
_chemical_formula_weight         298.14
_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_type_scat_source           'Cromer & Mann (1968)'
_cell_angle_alpha                80.930(10)
_cell_angle_beta                 75.360(10)
_cell_angle_gamma                89.170(10)
_cell_formula_units_Z            2
_cell_length_a                   5.1230(10)
_cell_length_b                   8.9550(10)
_cell_length_c                   10.1470(10)
_cell_measurement_reflns_used    90
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      10
_cell_volume                     444.61(11)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2659
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        1.9
_diffrn_standards_interval_count 141
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.322
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_density_meas      2.217(4)
_exptl_crystal_density_method    'flotation in CHBr3 + CCl4'
_exptl_crystal_description       'approximate prism'
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.14
_refine_diff_density_min         -0.19
_refine_ls_extinction_coef       0.70(10)
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_goodness_of_fit_obs   0.42
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2166
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         2.33
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          1935
_reflns_number_total             2604
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1121.cif
_cod_data_source_block           ab1121_structure_1_of_1
_cod_original_cell_volume        444.6(2)
_cod_database_code               2010420