Luminescence, CPL and magnetic properties of 1D enantiopure Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-) α-methoxyphenylacetate ligand.
Tubau, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font-Bardía, Mercè; Vicente, Ramon; Dalton transactions (Cambridge, England : 2003) 52 (2023) 1122–1132; doi:10.1039/d2dt03356a

data_7712009
_publ_section_title
;
 Luminescence, CPL and magnetic properties of 1D enantiopure
 Ln<sup>3+</sup> complexes with (<i>S</i>-) and (<i>R</i>-)
 &#x3b1;-methoxyphenylacetate ligand.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1122
_journal_page_last               1132
_journal_paper_doi               10.1039/d2dt03356a
_journal_volume                  52
_journal_year                    2023
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C39 H35 N2 O9 Tb'
_chemical_formula_sum            'C39 H35 N2 O9 Tb'
_chemical_formula_weight         834.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc2ck6rx
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_audit_update_record
;
2022-07-19 deposited with the CCDC.	2022-12-23 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.41
_cell_volume                     1725.21(13)
_computing_cell_refinement       'Bruker SAINT'
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'Bruker SHELXTL, PLATON for Windows Taskbar v1.19'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_source                   microfocus
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_exptl_absorpt_correction_T_max  0.7461
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_exptl_absorpt_correction_type   none
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_description       needle
_exptl_crystal_F_000             840
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.019(9)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10520
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_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+1.2846P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0575
_reflns_Friedel_coverage         0.939
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                10265
_reflns_number_total             10520
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7712004--7712009.cif.'
_cod_original_sg_symbol_H-M      'P 21'
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