Information card for entry 2213869

Structure parameters

• Chemical name: Bis{3-[(E)-2-(aminocarbonyl)hydrazonomethyl]pyridine}- diaquadiisothiocyanatomanganese(II)
• Formula: C16 H20 Mn N10 O4 S2
• Calculated formula: C16 H20 Mn N10 O4 S2
• SMILES: [Mn]([OH2])([n]1cc(ccc1)/C=N/NC(=O)N)([n]1cc(ccc1)/C=N/NC(=O)N)(N=C=S)(N=C=S)[OH2]
• Title of publication: Bis{3-[(<i>E</i>)-2-(aminocarbonyl)hydrazonomethyl]pyridine}diaquadiisothiocyanatomanganese(II)
• Authors of publication: Zhong, Di-Chang; Guo, Gui-Quan; Deng, Ji-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1747
• a: 6.6998 ± 0.0019 Å
• b: 9.329 ± 0.003 Å
• c: 10.478 ± 0.003 Å
• α: 64.77 ± 0.003°
• β: 82.711 ± 0.003°
• γ: 75.384 ± 0.003°
• Cell volume: 573.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes