Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(η<sup>1</sup>:η<sup>2</sup>:μ<sub>2</sub>-carboxylate)Gd/Dy systems.
Ghosh, Sagar; Mandal, Shuvankar; Singh, Mukesh Kumar; Liu, Cai-Ming; Rajaraman, Gopalan; Mohanta, Sasankasekhar; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11455–11469; doi:10.1039/c8dt02008f

data_7047061
_publ_section_title
;
 Experimental and theoretical exploration of magnetic exchange
 interactions and single-molecule magnetic behaviour of
 bis(\h<sup>1</sup>:\h<sup>2</sup>:\m<sub>2</sub>-carboxylate)Gd/Dy
 systems.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11455
_journal_page_last               11469
_journal_paper_doi               10.1039/c8dt02008f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C32 H46 Dy2 N4 O16'
_chemical_formula_weight         1067.73
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-06-09 deposited with the CCDC.
2018-07-16 downloaded from the CCDC.
;
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_cell_measurement_theta_max      23.66
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_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  0.0688
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       cuboid
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7047060--7047061.cif.'
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