Strongest Exchange Coupling in Gadolinium(III) and Nitroxide Coordination Compounds.
Kanetomo, Takuya; Ishida, Takayuki; Inorganic chemistry 53 (2014) 10794–10796; doi:10.1021/ic501496a

data_4341163
_publ_section_title
;
 Strongest Exchange Coupling in Gadolinium(III) and Nitroxide Coordination
 Compounds.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10794
_journal_page_last               10796
_journal_paper_doi               10.1021/ic501496a
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C29 H19 F18 Gd N3 O7'
_chemical_formula_sum            'C29 H19 F18 Gd N3 O7'
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_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.427(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.467(3)
_cell_length_b                   17.045(4)
_cell_length_c                   16.692(4)
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_cell_measurement_temperature    100
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.14
_cell_volume                     3693.5(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'Superflip (Palatinus, et al., 2007)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 29.412
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
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_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.158
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_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0003Fo^2^ + 1.2000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0482
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_reflns_threshold_expression     F>2.0\s(F)
_cod_data_source_file            ic501496a_si_001.cif
_cod_data_source_block           '__[Gd(hfac)3(6bpyNO)]'
_cod_depositor_comments          'Adding full bibliography for 4341163.cif.'
_cod_original_cell_volume        3693.8(14)
_cod_database_code               4341163