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_4349036
_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            'C332 H436 Cd2 Dy2 N40 O46'
_chemical_formula_weight         6273.05
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.723(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.1820(10)
_cell_length_b                   38.2416(14)
_cell_length_c                   35.4693(19)
_cell_measurement_reflns_used    9548
_cell_measurement_temperature    90
_cell_measurement_theta_max      22.502
_cell_measurement_theta_min      2.176
_cell_volume                     32329(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       multi-scan
_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  0.0742
_diffrn_reflns_av_sigmaI/netI    0.1408
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            107289
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13008
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         2.508
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1903
_refine_ls_number_reflns         27525
_refine_ls_number_restraints     729
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.2193
_refine_ls_R_factor_gt           0.1101
_refine_ls_shift/su_max          6.415
_refine_ls_shift/su_mean         0.073
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1835P)^2^+499.7035P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2904
_refine_ls_wR_factor_ref         0.3771
_reflns_number_gt                12475
_reflns_number_total             27525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01870_si_002.cif
_cod_data_source_block           dycdcddy
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4349036
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n