Information card for entry 2016954

Structure parameters

• Chemical name: poly[aqua(4,4'-bipyridine)[μ~3~-<i>S</i>-carboxylatomethyl-<i>N</i>- (<i>p</i>-tosyl)-L-cysteinato]manganese(II)]
• Formula: C22 H23 Mn N3 O7 S2
• Calculated formula: C22 H23 Mn N3 O7 S2
• Title of publication: A three-dimensional homochiral metal‒organic framework constructed from manganese(II) with <i>S</i>-carboxymethyl-<i>N</i>-(<i>p</i>-tosyl)-<small>L</small>-cysteine and 4,4'-bipyridine
• Authors of publication: Xiong, Wei; Su, Yan; Chen, Zilu; Liang, Fupei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m56 - m58
• a: 5.382 ± 0.004 Å
• b: 19.375 ± 0.014 Å
• c: 11.691 ± 0.009 Å
• α: 90°
• β: 96.771 ± 0.009°
• γ: 90°
• Cell volume: 1210.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes