Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.
Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.; Inorganic chemistry 55 (2016) 11283–11298; doi:10.1021/acs.inorgchem.6b01863

data_4349023
_publ_section_title
;
 Influence of Tuned Linker Functionality on Modulation of Magnetic
 Properties and Relaxation Dynamics in a Family of Six Isotypic
 Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11283
_journal_page_last               11298
_journal_paper_doi               10.1021/acs.inorgchem.6b01863
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C44 H44 Dy2 N2 O12'
_chemical_formula_sum            'C44 H44 Dy2 N2 O12'
_chemical_formula_weight         1117.79
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 101.278(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   17.300(2)
_cell_measurement_reflns_used    4871
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.26
_cell_measurement_theta_min      2.40
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.995
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0389
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_diffrn_reflns_theta_max         28.409
_diffrn_reflns_theta_min         1.849
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7173
_exptl_absorpt_correction_T_min  0.6357
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Rod shaped'
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_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
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_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5306
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.169
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           Compound1a
_cod_original_cell_volume        2122.3(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4349023
_shelx_estimated_absorpt_t_min   0.636
_shelx_estimated_absorpt_t_max   0.717
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_shelx_res_checksum              21847
_shelx_hkl_checksum              11864