Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.
Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.; Inorganic chemistry 55 (2016) 6902–6915; doi:10.1021/acs.inorgchem.6b00408

data_4347627
_publ_section_title
;
 Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic
 Acid-2,2':6',2&#x2033;-Terpyridine Materials: Structural Systematics,
 Luminescence Properties, and Magnetic Behavior.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6902
_journal_page_last               6915
_journal_paper_doi               10.1021/acs.inorgchem.6b00408
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C114 H58 Cl24 N6 O24 Tm4'
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_space_group_name_Hall           '-P 1'
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_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                69.959(10)
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_cell_volume                     3077.2(4)
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_diffrn_ambient_temperature      100(2)
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_diffrn_reflns_number            43655
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.447
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.847
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_exptl_crystal_F_000             1660
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_size_max          0.28
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_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.296
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     775
_refine_ls_number_reflns         15407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0187P)^2^+2.1884P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                13368
_reflns_number_total             15407
_reflns_threshold_expression     'I > 2\s(I)'
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