Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium
Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav; Green Chemistry 22 (2020) 4364–4375; doi:10.1039/D0GC00454E

data_7240495
_publ_section_title
;
 Solvent-free ageing reactions of rare earth element oxides: from
 geomimetic synthesis of new metal--organic materials towards a simple,
 environmentally friendly separation of scandium
;
_journal_issue                   13
_journal_name_full               'Green Chemistry'
_journal_page_first              4364
_journal_page_last               4375
_journal_paper_doi               10.1039/D0GC00454E
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         'C3 Lu O8, O'
_chemical_formula_sum            'C3 Lu O9'
_chemical_formula_weight         355.00
_chemical_name_common
'catena-(tetra-aqua-tris(m2-oxalato-O,O',O'',O''')-di-lutecium(iii)) dihydrate'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2019-11-04 deposited with the CCDC.	2020-05-08 downloaded from the CCDC.
;
_cell_angle_alpha                98.1966(17)
_cell_angle_beta                 99.4509(19)
_cell_angle_gamma                75.113(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5867(2)
_cell_length_b                   6.64358(16)
_cell_length_c                   6.25859(16)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      100
_cell_measurement_theta_min      4
_cell_volume                     377.889(16)
_computing_cell_refinement       'TOPAS Academic v. 6'
_computing_data_collection       'Bruker DIFFRAC.SUITE'
_computing_structure_refinement  'TOPAS Academic v. 6'
_computing_structure_solution    'TOPAS Academic v. 6'
_diffrn_ambient_temperature      293
_diffrn_detector                 'Position Sensitive Detector'
_diffrn_detector_type            LYNXEYE
_diffrn_measurement_device_type  'Bruker D2 PHASER'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5418
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30
_diffrn_source_target            Cu
_diffrn_source_voltage           40
_exptl_crystal_density_diffrn    3.1199(1)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             322
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0199
_pd_meas_2theta_range_max        90.000
_pd_meas_2theta_range_min        3.010
_pd_meas_number_of_points        4264
_pd_meas_scan_method             cont
_pd_prep_temperature             293
_pd_proc_2theta_range_inc        0.0199
_pd_proc_2theta_range_max        90
_pd_proc_2theta_range_min        8
_pd_proc_ls_background_function  'Chebyshev polynomial'
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.011
_pd_proc_ls_prof_wR_expected     0.010
_pd_proc_ls_prof_wR_factor       0.052
_pd_proc_wavelength              1.5418
_pd_spec_mounting                ' 'packed powder pellet''
_pd_spec_mount_mode              resflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   5.391
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    18
_refine_ls_number_parameters     53
_refine_ls_number_restraints     12
_refine_ls_R_I_factor            0.027
_refine_ls_weighting_scheme      calc
_cod_data_source_file            d0gc00454e1.cif
_cod_data_source_block           Lu_ox
_cod_depositor_comments
;Adding full bibliography for 7240489--7240496.cif.

 Adding full bibliography for 7240489--7240496.cif.
;
_cod_original_cell_volume        377.890(16)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7240495