Dy(iii) zig-zag chains assembled in a 3D framework with single-molecule magnet behaviour.
Bai, Chao; Li, Chuan-Ti; Hu, Huai-Ming; Liu, Bin; Li, Jin-Dian; Xue, Ganglin; Dalton transactions (Cambridge, England : 2003) 48 (2019) 814–817; doi:10.1039/c8dt03617a

data_7047771
_publ_section_title
;
 Dy(iii) zig-zag chains assembled in a 3D framework with single-molecule
 magnet behaviour.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              814
_journal_page_last               817
_journal_paper_doi               10.1039/c8dt03617a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C29 H18 Dy N3 O7 S'
_chemical_formula_sum            'C29 H18 Dy N3 O7 S'
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_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-05 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   20.685(10)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.07
_cell_measurement_theta_min      2.50
_cell_volume                     2511(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1356
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       block
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_refine_diff_density_max         1.186
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_refine_ls_R_factor_all          0.1360
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0438P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1422
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2472
_reflns_number_total             4436
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           nw2221_0m
_cod_depositor_comments          'Adding full bibliography for 7047771.cif.'
_cod_database_code               7047771
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