A linear tetranuclear dysprosium(III) compound showing single-molecule magnet behaviour.
Ke, Hongshan; Xu, Gong-Feng; Guo, Yun-Nan; Gamez, Patrick; Beavers, Christine M.; Teat, Simon J.; Tang, Jinkui; Chemical communications (Cambridge, England) 46 (2010) 6057–6059; doi:10.1039/c0cc01067g

data_7113021
_publ_section_title
;
 A linear tetranuclear dysprosium(III) compound showing single-molecule
 magnet behaviour.
;
_journal_issue                   33
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6057
_journal_page_last               6059
_journal_paper_doi               10.1039/c0cc01067g
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C102 H84 O26 N8 Dy4, 5(CH3OH)'
_chemical_formula_sum            'C107 H104 Dy4 N8 O31'
_chemical_formula_weight         2648.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.1370(10)
_cell_angle_beta                 93.2150(10)
_cell_angle_gamma                103.1300(10)
_cell_formula_units_Z            1
_cell_length_a                   11.6562(8)
_cell_length_b                   15.2677(11)
_cell_length_c                   15.6126(11)
_cell_measurement_reflns_used    9445
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.9
_cell_measurement_theta_min      3.02
_cell_volume                     2547.1(3)
_computing_cell_refinement       'SAINT V7.60A (Bruker, 2005)'
_computing_data_collection       'Apex2 v2009.11-0 (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Bruker Apex2'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  silicon(111)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38509
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         34.65
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    3.730
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1 (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1314
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.696
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         15831
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0471P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                11938
_reflns_number_total             15831
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0cc01067g.txt
_cod_data_source_block           dy4
_cod_database_code               7113021