Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies
Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo; New Journal of Chemistry 44 (2020) 16294–16301; doi:10.1039/D0NJ03670F

data_7059917
_publ_section_title
;
 Anion binding with biphenyl-bis-urea derivatives: solution and
 solid-state studies
;
_journal_issue                   38
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16294
_journal_page_last               16301
_journal_paper_doi               10.1039/D0NJ03670F
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety
'C26 H22 N4 O2, 2(C16 H36 N), 2(H2 O4 P), 0.5(H2 O)'
_chemical_formula_sum            'C58 H99 N6 O10.5 P2'
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_symmetry_space_group_name_Hall  '-I 2ya'
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_audit_update_record
;
2020-07-09 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;
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'CrysAlisPro 1.171.36.20 (Agilent Technologies,2012)'
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'CrysAlisPro 1.171.36.20 (Agilent Technologies,2012)'
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'CrysAlisPro 1.171.36.20 (Agilent Technologies,2012)'
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;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
        (compiled Jul 11 2012,15:38:31)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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'Re-crystallisation from solvent: dimethyl sulfoxide'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3457
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_reflns_Friedel_coverage         0
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_reflns_number_total             6002
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj03670f2.cif
_cod_data_source_block           1-((TBA)H2PO4)2
_cod_depositor_comments
'Adding full bibliography for 7059910--7059921.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'C58 H99 N6 O10.50 P2'
_cod_database_code               7059917
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_platon_squeeze_void_probe_radius 1.20