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_7712004
_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 Dy N2 O9'
_chemical_formula_sum            'C39 H35 Dy N2 O9'
_chemical_formula_weight         838.19
_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.cc2ck6nt
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-19 deposited with the CCDC.	2022-12-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   12.3531(5)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.41
_cell_volume                     1721.59(12)
_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 0.996
_diffrn_measured_fraction_theta_max 0.993
_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 0.993
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_diffrn_reflns_theta_max         26.500
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_diffrn_source                   microfocus
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       needle
_exptl_crystal_F_000             842
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.018(15)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7067
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_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0308
_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^)+6.2315P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0726
_refine_ls_wR_factor_ref         0.0736
_reflns_Friedel_coverage         0.941
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                6797
_reflns_number_total             7067
_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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_shelx_res_checksum              48973