Information card for entry 2021792

Structure parameters

• Chemical name: Poly[(μ-1,4-diaminobenzene-κ^2^<i>N</i>:<i>N</i>')[μ~3~-sulfato(VI)-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']manganese]
• Formula: C6 H8 Mn N2 O4 S
• Calculated formula: C6 H8 Mn N2 O4 S
• Title of publication: Synthesis, crystal structure solution and characterization of two organic‒inorganic hybrid layered materials based on metal sulfates and 1,4-phenylenediamine
• Authors of publication: Gonzalez Guillen, Anabel; Oszajca, Marcin; Luberda-Durnaś, Katarzyna; Lasocha, Wieslaw
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• a: 6.6108 ± 0.0003 Å
• b: 7.3958 ± 0.0004 Å
• c: 16.9678 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 829.59 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0379
• Goodness-of-fit parameter for all reflections: 1.98
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes