Information card for entry 4061654

Structure parameters

• Formula: C12 H15 N O3 W
• Calculated formula: C12 H15 N O3 W
• SMILES: [W]1234([c]5([cH]1[cH]2[cH]3[cH]45)CC[NH+](C)C)(C#[O])(C#[O])C#[O]
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 7.1578 ± 0.0006 Å
• b: 13.471 ± 0.0012 Å
• c: 12.6744 ± 0.0011 Å
• α: 90°
• β: 92.878 ± 0.001°
• γ: 90°
• Cell volume: 1220.56 ± 0.18 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