Information card for entry 2203468

Structure parameters

• Chemical name: 2[2,2-Dimethyl[1,3,2]dithiagermetan-4-ylidene]malononitrile
• Formula: C6 H6 Ge N2 S2
• Calculated formula: C6 H6 Ge N2 S2
• SMILES: C[Ge]1(C)SC(=C(C#N)C#N)S1
• Title of publication: 2-(2,2-Dimethyl-1,3,2-dithiagermetan-4-ylidene)malononitrile
• Authors of publication: Akkurt, Mehmet; Öztürk, Sema; Rıza, Kök Tevfik; Heinemann, Frank W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m357 - m358
• a: 25.1259 ± 0.0019 Å
• b: 9.9284 ± 0.0008 Å
• c: 7.5207 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1876.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No