Slow relaxation of the magnetization, reversible solvent exchange and luminescence in 2D anilato-based frameworks.
Benmansour, Samia; Hernández-Paredes, Antonio; Mondal, Arpan; López Martínez, Gustavo; Canet-Ferrer, Josep; Konar, Sanjit; Gómez-García, Carlos J; Chemical communications (Cambridge, England) 56 (2020) 9862–9865; doi:10.1039/d0cc03964k

data_7126934
_publ_section_title
;
 Slow relaxation of the magnetization, reversible solvent exchange and
 luminescence in 2D anilato-based frameworks.
;
_journal_issue                   68
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9862
_journal_page_last               9865
_journal_paper_doi               10.1039/d0cc03964k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C15 H9.5 Br3 Dy O10 S3'
_chemical_formula_weight         848.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc1q0znc
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-13 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                78.919(3)
_cell_angle_beta                 72.796(3)
_cell_angle_gamma                85.035(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9121(4)
_cell_length_b                   10.6798(4)
_cell_length_c                   12.7892(4)
_cell_measurement_reflns_used    7374
_cell_measurement_temperature    124(2)
_cell_measurement_theta_max      24.9817
_cell_measurement_theta_min      3.2524
_cell_volume                     1268.53(8)
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      124(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'SuperNova, Single source at offset), Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12273
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.036
_diffrn_reflns_theta_min         3.259
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.962
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    2.220
_exptl_crystal_description       Prism
_exptl_crystal_F_000             797
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.498
_refine_diff_density_min         -1.961
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4477
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0275P)^2^+8.3892P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0747
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4126
_reflns_number_total             4477
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03964k2.cif
_cod_data_source_block           shelxcrys184_AH2
_cod_depositor_comments
'Adding full bibliography for 7126934--7126936.cif.'
_cod_original_formula_sum        'C15 H9.50 Br3 Dy O10 S3'
_cod_database_code               7126934
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.568
_shelx_estimated_absorpt_t_max   0.796
_shelx_res_checksum              59883