Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability of Magnetism.
Liu, Shan-Shan; Xu, Ling; Jiang, Shang-Da; Zhang, Yi-Quan; Meng, Yin-Shan; Wang, Zitao; Wang, Bing-Wu; Zhang, Wen-Xiong; Xi, Zhenfeng; Gao, Song; Inorganic chemistry 54 (2015) 5162–5168; doi:10.1021/ic502734z

data_4343048
_publ_section_title
;
 Half-Sandwich Complexes of Dy(III): A Janus-Motif with Facile Tunability
 of Magnetism.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5162
_journal_page_last               5168
_journal_paper_doi               10.1021/ic502734z
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C50 H59 Dy O6 Si'
_chemical_formula_sum            'C50 H59 Dy O6 Si'
_chemical_formula_weight         946.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 116.390(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.5489(7)
_cell_length_b                   14.1446(3)
_cell_length_c                   18.4719(7)
_cell_measurement_temperature    173(2)
_cell_volume                     4575.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0453
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32687
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.706
_exptl_absorpt_correction_T_max  0.8479
_exptl_absorpt_correction_T_min  0.7266
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1948
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.166
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         9005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0323
_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^)+(0.0261P)^2^+4.8727P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                7241
_reflns_number_total             9005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502734z_si_004.cif
_cod_data_source_block           cp'dy
_cod_depositor_comments
'Adding full bibliography for 4343048--4343050.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4343048