Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure, magnetic properties and theoretical elucidation.
Chen, Zilu; Yu, Shui; Wang, Rongdong; Li, Bo; Yin, Bing; Liu, Dongcheng; Liang, Yuning; Yao, Di; Liang, Fupei; Dalton transactions (Cambridge, England : 2003) 48 (2019) 6627–6637; doi:10.1039/c9dt00364a

data_7049650
_publ_section_title
;
 Three Dy(iii) single-ion magnets bearing the tropolone ligand: structure,
 magnetic properties and theoretical elucidation.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6627
_journal_page_last               6637
_journal_paper_doi               10.1039/c9dt00364a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C33 H23 Dy N2 O6, H2 O'
_chemical_formula_sum            'C33 H25 Dy N2 O7'
_chemical_formula_weight         724.05
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-03-02 deposited with the CCDC.    2019-04-09 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.96
_cell_measurement_theta_min      2.37
_cell_volume                     2733(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0460P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0913
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_reflns_number_gt                3828
_reflns_number_total             4836
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           A_b
_cod_depositor_comments
'Adding full bibliography for 7049649--7049651.cif.'
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