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_4347621
_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 Eu4 N6 O24'
_chemical_formula_weight         3354.30
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                74.9070(10)
_cell_angle_beta                 68.772(2)
_cell_angle_gamma                79.4990(10)
_cell_formula_units_Z            1
_cell_length_a                   12.7973(7)
_cell_length_b                   16.2106(9)
_cell_length_c                   16.6378(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.894
_cell_measurement_theta_min      4.513
_cell_volume                     3091.5(3)
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0492
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_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_number            46341
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         30.361
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_exptl_crystal_recrystallization_method Hydrothermal
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_exptl_crystal_size_min          0.20
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_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         17157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+0.7601P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             17157
_reflns_threshold_expression     'I > 2\s(I)'
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