Photoluminescence and magnetic properties of isostructural europium(III), gadolinium(III) and terbium(III) oxamate-based coordination polymers.
da Silveira, Cleverton O. C.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N; Alvarenga, Meiry E.; Martins, Felipe T.; Gatto, Claudia C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Silva, Júlia P O; Marques, Lippy F.; Santos, Moliria V.; Torres, Francisco R.; Euclides, Rividy; Freire, Ricardo O.; Nunes, Wallace C.; de Almeida, Adriele A.; Knobel, Marcelo; Pereira, Cynthia L. M.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 14995–15009; doi:10.1039/d4dt01290a

data_7716653
_publ_section_title
;
 Photoluminescence and magnetic properties of isostructural europium(III),
 gadolinium(III) and terbium(III) oxamate-based coordination polymers.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14995
_journal_page_last               15009
_journal_paper_doi               10.1039/d4dt01290a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C28 H32 Gd N3 O12 S2'
_chemical_formula_weight         823.93
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-19 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.1110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.6449(2)
_cell_length_b                   9.41980(10)
_cell_length_c                   21.9157(2)
_cell_measurement_reflns_used    24549
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      78.5340
_cell_measurement_theta_min      2.9310
_cell_volume                     3284.10(6)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    Superflip
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            50607
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.249
_diffrn_reflns_theta_min         2.953
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    14.816
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.199
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.041
_refine_diff_density_max         1.564
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6006
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0397P)^2^+4.8925P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0805
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5657
_reflns_number_total             6006
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01290a2.cif
_cod_data_source_block           Gdphox
_cod_depositor_comments
'Adding full bibliography for 7716652--7716654.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7716653
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              56973
_shelx_hkl_checksum              46656