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_4347630
_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 Y4'
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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_alpha                74.881(9)
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_cell_angle_gamma                70.008(9)
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_cell_measurement_theta_min      4.483
_cell_volume                     3093.7(4)
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40436
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         27.239
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_F_000             1540
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_size_max          0.22
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_refine_diff_density_max         0.980
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_refine_diff_density_rms         0.093
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_refine_ls_number_parameters     775
_refine_ls_number_reflns         13817
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0395
_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^)+(0.0315P)^2^+1.8717P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             13817
_reflns_threshold_expression     'I > 2\s(I)'
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