Information card for entry 4061652

Structure parameters

• Formula: C12 H15 Cr N O3
• Calculated formula: C12 H15 Cr N O3
• SMILES: [Cr]1234([c]5([cH]4[cH]3[cH]2[cH]15)CC[NH+](C)C)(C#[O])(C#[O])C#[O]
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 7.0927 ± 0.0008 Å
• b: 13.3643 ± 0.0014 Å
• c: 12.5749 ± 0.0013 Å
• α: 90°
• β: 91.057 ± 0.002°
• γ: 90°
• Cell volume: 1191.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No