Syntheses, Structures, and Magnetic Properties of a Family of Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy) Complexes: Display of Slow Magnetic Relaxation by the Zinc(II)-Dysprosium(III) Analogue
Sk Md Towsif Abtab; Manoranjan Maity; Kisholoy Bhattacharya; E. Carolina Sañudo; Muktimoy Chaudhury; Inorganic Chemistry 51 (2012) 10211–10221; doi:10.1021/ic301138r

data_4330472
_publ_section_title
;
 Syntheses, Structures, and Magnetic Properties of a Family of
 Tetranuclear Hydroxido-Bridged NiII2LnIII2 (Ln = La, Gd, Tb, and Dy)
 Complexes: Display of Slow Magnetic Relaxation by the
 Zinc(II)-Dysprosium(III) Analogue
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10211
_journal_page_last               10221
_journal_paper_doi               10.1021/ic301138r
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C78 H103 Cl La2 N4 Ni2 O20'
_chemical_formula_weight         1847.33
_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                 92.853(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5011(5)
_cell_length_b                   23.4242(10)
_cell_length_c                   28.2129(12)
_cell_measurement_temperature    298(2)
_cell_volume                     8251.3(6)
_computing_cell_refinement       'BRUKER APEX II'
_computing_data_collection       'BRUKER APEX II'
_computing_data_reduction        'BRUKER APEX II'
_computing_molecular_graphics    'MERCURY 2.2, PLATON-97'
_computing_publication_material  'MERCURY 2.2, PLATON-97'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD AREA DETECTOR'
_diffrn_measurement_method       OMEGA-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  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            78132
_diffrn_reflns_theta_full        25.31
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    1.566
_exptl_absorpt_correction_T_max  0.7244
_exptl_absorpt_correction_T_min  0.6508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_description       block
_exptl_crystal_F_000             3784
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.461
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.322
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     981
_refine_ls_number_reflns         14939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.322
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0627
_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^)+(0.1000P)^2^+0.2849P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1835
_refine_ls_wR_factor_ref         0.1970
_reflns_number_gt                11403
_reflns_number_total             14939
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301138r_si_002_3.cif
_cod_data_source_block           Complex_5_Ni2La2
_cod_database_code               4330472