Information card for entry 7108678

Structure parameters

• Formula: C38 H68 Cl2 Ge N2 O P2 S
• Calculated formula: C38 H68 Cl2 Ge N2 O P2 S
• SMILES: [Ge]1(Cl)(=S)[N](=P(CCCC)(CCCC)CCCC)c2cccc3cccc([N]1=P(CCCC)(CCCC)CCCC)c23.O1CCCC1.[Cl-]
• Title of publication: Germyliumylidene [ClGe:]+and Germathionium [ClGe=S]+ Supported by 1,8-bis(Tributylphosphazenyl)naphthalene
• Authors of publication: Matthias Driess; Yun Xiong; Shenglai Yao; Andreas Berkefeld; Shigeyoshi Inoue
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 12198
• a: 11.5878 ± 0.0007 Å
• b: 17.8076 ± 0.001 Å
• c: 21.8753 ± 0.0014 Å
• α: 90°
• β: 105.55 ± 0.004°
• γ: 90°
• Cell volume: 4348.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No