Information card for entry 2202954

Structure parameters

• Chemical name: 2,2-Diphenyl-1,3,2-dithiagermole-4,5-dicarbonitrile
• Formula: C16 H10 Ge N2 S2
• Calculated formula: C16 H10 Ge N2 S2
• SMILES: [Ge]1(SC(=C(S1)C#N)C#N)(c1ccccc1)c1ccccc1
• Title of publication: 2,2-Diphenyl-1,3,2-dithiagermole-4,5-dicarbonitrile
• Authors of publication: Mehmet Akkurt; Sema Öztürk; Tevfik Rıza Kök; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m664 - m665
• a: 15.3121 ± 0.0011 Å
• b: 14.0064 ± 0.001 Å
• c: 15.773 ± 0.0011 Å
• α: 90°
• β: 105.39 ± 0.001°
• γ: 90°
• Cell volume: 3261.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes