Information card for entry 4076921

Structure parameters

• Formula: C10 H11 Cr N O2
• Calculated formula: C10 H11 Cr N O2
• SMILES: [cH]12[cH]3[Cr]451(C#[O])([cH]2[cH]4[cH]35)(#CN(C)C)C#[O]
• Title of publication: Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes
• Authors of publication: Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4408
• a: 5.9268 ± 0.0002 Å
• b: 10.7263 ± 0.0004 Å
• c: 8.3862 ± 0.0003 Å
• α: 90°
• β: 97.171 ± 0.002°
• γ: 90°
• Cell volume: 528.96 ± 0.03 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No