Information card for entry 4078174

Structure parameters

• Formula: C32 H37 Fe Ge N O S
• Calculated formula: C32 H37 Fe Ge N O S
• SMILES: [Fe]1234(=CN(C)C)(C#[O])(S[Ge](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1(C)[c]2([c]3(C)[c]45C)C)C
• Title of publication: Catalytic Synthesis of Cyclic and Linear Germoxanes Mediated by an Iron Complex
• Authors of publication: Kamitani, Masahiro; Fukumoto, Kozo; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2957
• a: 14.2808 ± 0.0019 Å
• b: 10.8004 ± 0.0014 Å
• c: 19.383 ± 0.003 Å
• α: 90°
• β: 98.592 ± 0.003°
• γ: 90°
• Cell volume: 2956.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No