Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties
Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S205322961800205X

data_2021044
_publ_section_title
;
 Two novel lanthanide(III) organic frameworks based on a
 biphenyltetracarboxylate ligand: synthesis, structure and magnetic and
 luminescence properties
;
_journal_coeditor_code           LF3071
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322961800205X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac
'[Eu4 (C16 H6 O8)2 (C2 H3 O2)4 (C4 H9 N O)4 (H2 O)4], 4H2 O'
_chemical_formula_moiety         'C56 H68 Eu4 N4 O32, 4H2 O'
_chemical_formula_sum            'C56 H76 Eu4 N4 O36'
_chemical_formula_weight         1908.92
_chemical_name_systematic
;Poly[[tetraaquatetra-\m~2~-acetato-bis(\m~5~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)]
tetraahydrate]
;
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_length_b                   17.7439(14)
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_cell_volume                     1888.9(2)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics    'Please provide'
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;
SHELXL2015 (Sheldrick, 2015b)
;
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;
SHELXL2015 (Sheldrick, 2015b)
;
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SHELXS2015 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.962
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_diffrn_reflns_limit_k_max       21
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_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8950
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.448
_exptl_absorpt_coefficient_mu    3.356
_exptl_absorpt_correction_T_max  0.610
_exptl_absorpt_correction_T_min  0.562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            colorless
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_exptl_crystal_description       bloc
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.130
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_refine_diff_density_min         -2.355
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3206
_refine_ls_number_restraints     479
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0933
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1300P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1801
_refine_ls_wR_factor_ref         0.1955
_reflns_number_gt                2250
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           140903a
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.616
_shelx_estimated_absorpt_t_max   0.669
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