Coexistence of Magnetization Relaxation and Dielectric Relaxation in a Single-Chain Magnet
Yue-Ling Bai; Jun Tao; Wolfgang Wernsdorfer; Osamu Sato; Rong-Bin Huang; Lan-Sun Zheng; Journal of the American Chemical Society 128 (2006) 16428–16429; doi:10.1021/ja066679+

data_4111301
_publ_contact_author_address
;
Department of Chemistry
College of Chemistry and Chemical Engineering
Xiamen University
Xiamen 361005 
P. R. China
;
_publ_contact_author_email       taojun@xmu.edu.cn
_publ_contact_author_name        'Assoc. Prof. Jun Tao'
_publ_contact_author_phone       86-592-2185191
_publ_section_title
;
 Coexistence of Magnetization Relaxation and Dielectric Relaxation in a
 Single-Chain Magnet
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16428
_journal_page_last               16429
_journal_paper_doi               10.1021/ja066679+
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C40 H54 Cl Mn3 N6 O9'
_chemical_formula_weight         963.16
_space_group_IT_number           14
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.57(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.574(3)
_cell_length_b                   17.997(4)
_cell_length_c                   14.526(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4355.1(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1199
_diffrn_reflns_av_sigmaI/netI    0.1107
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27755
_diffrn_reflns_theta_full        25.00
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_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.977
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_exptl_crystal_F_000             2000
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7525
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0896
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0836P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           complex_2
_cod_original_cell_volume        4355.1(15)
_cod_database_code               4111301