{Co(III)2Dy(III)2} single molecule magnet with two resolved thermal activated magnetization relaxation pathways at zero field.
Funes, Alejandro V.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo; Dalton transactions (Cambridge, England : 2003) 43 (2014) 2361–2364; doi:10.1039/c3dt52765d

data_7028782
_publ_section_title
;
 {Co(III)2Dy(III)2} single molecule magnet with two resolved thermal
 activated magnetization relaxation pathways at zero field.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2361
_journal_page_last               2364
_journal_paper_doi               10.1039/c3dt52765d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C44 H86 Co2 Dy2 N2 O20'
_chemical_formula_weight         1406.01
_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                104.787(3)
_cell_angle_beta                 90.745(3)
_cell_angle_gamma                94.220(3)
_cell_formula_units_Z            1
_cell_length_a                   10.9410(4)
_cell_length_b                   11.2485(4)
_cell_length_c                   12.2043(5)
_cell_measurement_reflns_used    5475
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.7987
_cell_measurement_theta_min      3.7042
_cell_volume                     1447.51(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18734
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.71
_exptl_absorpt_coefficient_mu    3.183
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.399
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         6252
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0384
_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^)+(0.0423P)^2^+1.4130P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                5086
_reflns_number_total             6252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52765d.txt
_cod_data_source_block           exp_3
_cod_original_cell_volume        1447.50(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7028782