Preparation and topological properties of two structures with p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.
Franco, Chris Hebert J.; Aglio, Renata C.; Corrêa, Charlane Cimini; Diniz, Renata; RSC Advances  (2014) –; doi:10.1039/C4RA07629J

data_7217639
_publ_section_title
;
 Preparation and topological properties of two structures with
 p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.
;
_journal_name_full               'RSC Advances'
_journal_paper_doi               10.1039/C4RA07629J
_journal_year                    2014
_chemical_formula_sum            'C28 H32 K2 O26 S4 Zn'
_chemical_formula_weight         1056.35
_chemical_name_systematic
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 ?
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_cell_measurement_temperature    293(2)
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_orient_matrix_UB_32      0.0277849
_diffrn_orient_matrix_UB_33      -0.0181775
_diffrn_radiation_monochromator  graphite
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             540
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_refine_ls_number_reflns         4825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0506P)^2^+0.1606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.121
_reflns_number_gt                3537
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra07629j1.cif
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_cod_original_cell_volume        981.61(9)
_cod_database_code               7217639