Information card for entry 4109671

Structure parameters

• Formula: C14 H16 Cr Ge
• Calculated formula: C14 H16 Cr Ge
• SMILES: [Cr]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]4%12)[Ge](C15[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111)(C)C
• Title of publication: Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure
• Authors of publication: Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8893 - 8906
• a: 10.905 ± 0.0006 Å
• b: 7.8237 ± 0.0005 Å
• c: 14.4488 ± 0.0008 Å
• α: 90°
• β: 92.614 ± 0.003°
• γ: 90°
• Cell volume: 1231.45 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No