Single-Molecule Magnet Behavior for an Antiferromagnetically Superexchange-Coupled Dinuclear Dysprosium(III) Complex
Jérôme Long; Fatemah Habib; Po-Heng Lin; Ilia Korobkov; Gary Enright; Liviu Ungur; Wolfgang Wernsdorfer; Liviu F. Chibotaru; Muralee Murugesu; Journal of the American Chemical Society 133 (2011) 5319–5328; doi:10.1021/ja109706y

data_4105897
_publ_section_title
;
 Single-Molecule Magnet Behavior for an Antiferromagnetically
 Superexchange-Coupled Dinuclear Dysprosium(III) Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5319
_journal_page_last               5328
_journal_paper_doi               10.1021/ja109706y
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C20 H23 Gd N4 O7'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_gamma                80.2930(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5766(5)
_cell_length_b                   10.5991(5)
_cell_length_c                   11.5192(5)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.40
_cell_measurement_theta_min      2.33
_cell_volume                     1066.38(9)
_computing_cell_refinement       'APEX II, Bruker (2009)'
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_computing_data_reduction        'XPREP, Bruker (2009)'
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_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    3.160
_exptl_absorpt_correction_T_max  0.7029
_exptl_absorpt_correction_T_min  0.5566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            white
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_exptl_crystal_description       block
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
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_refine_ls_number_reflns         3531
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_refine_ls_restrained_S_all      1.012
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_refine_ls_R_factor_gt           0.0215
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo^2^)+(0.0325P)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0534
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_reflns_threshold_expression     >2sigma(I)
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