Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets Effectively Suppress Magnetic Relaxation.
Horii, Yoji; Katoh, Keiichi; Cosquer, Goulven; Breedlove, Brian K.; Yamashita, Masahiro; Inorganic chemistry 55 (2016) 11782–11790; doi:10.1021/acs.inorgchem.6b01870

data_4349039
_publ_section_title
;
 Weak Dy<sup>III</sup>-Dy<sup>III</sup> Interactions in
 Dy<sup>III</sup>-Phthalocyaninato Multiple-Decker Single-Molecule Magnets
 Effectively Suppress Magnetic Relaxation.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11782
_journal_page_last               11790
_journal_paper_doi               10.1021/acs.inorgchem.6b01870
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C390 H384 Cd2 Cl9 Dy2 N65 O32 Y2'
_chemical_formula_weight         7540.4659
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                86.578(6)
_cell_angle_beta                 68.741(6)
_cell_angle_gamma                89.926(7)
_cell_formula_units_Z            2
_cell_length_a                   25.601(5)
_cell_length_b                   25.899(6)
_cell_length_c                   29.539(6)
_cell_measurement_reflns_used    30600
_cell_measurement_temperature    103
_cell_measurement_theta_max      27.5126
_cell_measurement_theta_min      3.0227
_cell_volume                     18216(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      103
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_unetI/netI     0.1189
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            197511
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         4.009
_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    0.973
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8743
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       Prism
_exptl_crystal_F_000             7020
_exptl_crystal_size_max          0.143
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.073
_refine_diff_density_max         1.933
_refine_diff_density_min         -1.421
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4587
_refine_ls_number_reflns         80195
_refine_ls_number_restraints     1789
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.1574
_refine_ls_R_factor_gt           0.1082
_refine_ls_shift/su_max          0.126
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0662P)^2^+82.1882P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2150
_refine_ls_wR_factor_ref         0.2483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                52665
_reflns_number_total             80195
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b01870_si_003.cif
_cod_data_source_block           DyCdY
_cod_database_code               4349039
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              79833
_shelx_hkl_checksum              29541