Information card for entry 4073611

Structure parameters

• Common name: 06211
• Formula: C13 H17 Cr N O3
• Calculated formula: C13 H17 Cr N O3
• Title of publication: [(2-(Trimethylammonium)ethyl)cyclopentadienyl]tricarbonylmetalates: Group VI Metal Zwitterions
• Authors of publication: Fischer, Paul J.; Herm, Zoey R.; Kucera, Benjamin E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4680
• a: 6.3023 ± 0.0007 Å
• b: 9.9052 ± 0.0011 Å
• c: 10.3559 ± 0.0011 Å
• α: 90°
• β: 90.559 ± 0.002°
• γ: 90°
• Cell volume: 646.44 ± 0.12 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No