Information card for entry 4504279

Structure parameters

• Formula: C28 H36 Mn2 N4 O18 S2
• Calculated formula: C28 H36 Mn2 N4 O18 S2
• SMILES: C1(N[N]2[Mn]3([O]=1)([OH2])([OH2])[O](c1ccccc1C=2)[Mn]12([O]=C(N[N]1=Cc1c(cccc1)[O]32)c1c(S(=O)(=O)[O-])cccc1)([OH2])[OH2])c1c(S(=O)(=O)[O-])cccc1.O.O.O.O
• Title of publication: Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand
• Authors of publication: Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1337
• a: 9.1452 ± 0.0011 Å
• b: 10.379 ± 0.0012 Å
• c: 10.7212 ± 0.0012 Å
• α: 107.715 ± 0.002°
• β: 95.322 ± 0.002°
• γ: 103.939 ± 0.002°
• Cell volume: 925.54 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No