Synthesis, characterization and ε-caprolactone polymerization properties of ferrocenyl modified half-sandwich rare-earth metal complexes
Li, Min; Zhong, Yi; Luo, Yunjie; Deng, Meng; New Journal of Chemistry 47 (2023) 22299–22303; doi:10.1039/D3NJ04245F

data_7062873
_publ_section_title
;
 Synthesis, characterization and \e-caprolactone polymerization properties
 of ferrocenyl modified half-sandwich rare-earth metal complexes
;
_journal_issue                   48
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              22299
_journal_page_last               22303
_journal_paper_doi               10.1039/D3NJ04245F
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C18 H24 N2 Sc, C19 H21 Fe'
_chemical_formula_sum            'C37 H45 Fe N2 Sc'
_chemical_formula_weight         618.56
_chemical_name_common
'The ferrocenyl functionalized half-sandwich scandium bis(o-dimethylaminobenzyl'
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2023-03-04 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
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_exptl_absorpt_coefficient_mu    0.631
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_exptl_crystal_colour            orange
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'Re-crystallisation from solvent: toluene/hexane'
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0860
_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^)+(0.0594P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2087
_refine_ls_wR_factor_ref         0.2344
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2650
_reflns_number_total             6073
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shx97
_cod_depositor_comments          'Adding full bibliography for 7062873.cif.'
_cod_original_cell_volume        3514.1(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7062873
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              9283
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