Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions
Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing; CrystEngComm 26 (2024) 4057–4072; doi:10.1039/D4CE00556B

data_7248898
_publ_section_title
;
 Construction of porous 2D Dy3+ metal organic frameworks: solvent
 responsive magnetic dynamics under 0 Oe dc field and luminescent sensors
 for Fe3+ ions
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              4057
_journal_page_last               4072
_journal_paper_doi               10.1039/D4CE00556B
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C93 H75 Dy2 N3 O15'
_chemical_formula_weight         1799.56
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-28 deposited with the CCDC.	2024-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.723(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.2717(5)
_cell_length_b                   16.4895(3)
_cell_length_c                   26.0856(7)
_cell_measurement_reflns_used    182094
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.2000
_cell_measurement_theta_min      2.4550
_cell_volume                     8376.6(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  multi-scan
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            53852
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.006
_diffrn_reflns_theta_min         3.519
_exptl_absorpt_coefficient_mu    9.975
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_description       block
_exptl_crystal_F_000             3624
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.969
_refine_diff_density_min         -1.743
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1167
_refine_ls_number_reflns         16708
_refine_ls_number_restraints     1118
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0603
_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^)+(0.0919P)^2^+9.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1590
_refine_ls_wR_factor_ref         0.1756
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12200
_reflns_number_total             16708
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ce00556b3.cif
_cod_data_source_block           x
_cod_depositor_comments
'Adding full bibliography for 7248898--7248899.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7248898
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              46517