A series of lanthanide(III) metal-organic frameworks derived from a pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and luminescence properties.
Zhang, Chengcheng; Ma, Xiufang; Cen, Peipei; Jin, Xiaoyong; Yang, Jinhui; Zhang, Yi-Quan; Ferrando-Soria, Jesús; Pardo, Emilio; Liu, Xiangyu; Dalton transactions (Cambridge, England : 2003) 49 (2020) 14123–14132; doi:10.1039/d0dt02736g

data_7705434
_publ_section_title
;
 A series of lanthanide(III) metal-organic frameworks derived from a
 pyridyl-dicarboxylate ligand: single-molecule magnet behaviour and
 luminescence properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14123
_journal_page_last               14132
_journal_paper_doi               10.1039/d0dt02736g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C65 H38 Dy3 N5 O21'
_chemical_formula_weight         1712.50
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2019-10-28 deposited with the CCDC.	2020-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.261(6)
_cell_angle_gamma                90
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_cell_measurement_temperature    100(2)
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_cell_volume                     3570.4(4)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_limit_k_min       -33
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    3.179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_description       strip
_exptl_crystal_F_000             1658
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.060
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_exptl_transmission_factor_min   0.795
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_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1159
_refine_ls_R_factor_gt           0.1016
_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^)+(0.0502P)^2^+131.1900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2222
_refine_ls_wR_factor_ref         0.2296
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5630
_reflns_number_total             6688
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02736g16.cif
_cod_data_source_block           p21m_a_sq
_cod_depositor_comments
'Adding full bibliography for 7705434--7705437.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7705434
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.630
_shelx_estimated_absorpt_t_max   0.857
_shelx_res_checksum              18068
_shelx_fab_checksum              9626