Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties
Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing; CrystEngComm 23 (2021) 7813–7821; doi:10.1039/D1CE01206A

data_7243818
_publ_section_title
;
 Two scandium-based coordination polymers: rapid ultrasound-assisted
 synthesis, crystal transformation, and catalytic properties
;
_journal_issue                   44
_journal_name_full               CrystEngComm
_journal_page_first              7813
_journal_page_last               7821
_journal_paper_doi               10.1039/D1CE01206A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C3 H12 O12 Sc'
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_audit_update_record
;
2021-02-09 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.953
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_diffrn_reflns_Laue_measured_fraction_full 0.956
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_exptl_absorpt_coefficient_mu    0.725
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             294.0
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.944
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_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         1940
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0511
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0708P)^2^+0.6907P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1369
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1767
_reflns_number_total             2034
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01206a2.cif
_cod_data_source_block           jys_200926_0m
_cod_depositor_comments          'Adding full bibliography for 7243818.cif.'
_cod_database_code               7243818
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              47082
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