Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.
Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.; Beilstein journal of nanotechnology 4 (2013) 807–814; doi:10.3762/bjnano.4.92

data_1517105
_publ_section_title
;
 Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by
 anisotropic Dy(III) ions.
;
_journal_name_full               'Beilstein journal of nanotechnology'
_journal_page_first              807
_journal_page_last               814
_journal_paper_doi               10.3762/bjnano.4.92
_journal_volume                  4
_journal_year                    2013
_chemical_formula_moiety         'C62 H124 Dy2 Fe4 N10 O22, 3(C2 H3 N)'
_chemical_formula_sum            'C68 H133 Dy2 Fe4 N13 O22'
_chemical_formula_weight         2033.27
_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
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_audit_creation_method           SHELXL-2013
_cell_angle_alpha                82.856(3)
_cell_angle_beta                 79.710(3)
_cell_angle_gamma                65.545(3)
_cell_formula_units_Z            2
_cell_length_a                   13.9237(6)
_cell_length_b                   14.5196(7)
_cell_length_c                   25.1289(10)
_cell_measurement_reflns_used    72979
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.44
_cell_measurement_theta_min      1.54
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_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       'area detector, \w-scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
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_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            62413
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.950
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_exptl_absorpt_process_details
;
XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003)
;
_exptl_crystal_colour            orange
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_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.210
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_refine_diff_density_min         -2.709
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         21679
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0449
_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^)+(0.0892P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                17985
_reflns_number_total             21679
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            L618.cif
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_shelx_estimated_absorpt_t_min   0.524
_shelx_estimated_absorpt_t_max   0.642
_shelxl_version_number           2013-2
_shelx_res_checksum              72291
_shelx_hkl_checksum              37513