Information card for entry 4060607

Structure parameters

• Formula: C11 H7 O3 Re
• Calculated formula: C11 H7 O3 Re
• SMILES: [Re]1234([cH]5[c]63C=CC[c]46[cH]2[cH]15)(C#[O])(C#[O])C#[O]
• Title of publication: New Monoalkylated Pentalene Ligands
• Authors of publication: O'Hare, Dermot; Jones, Simon; Roussel, Paul; Hascall, Tony
• Journal of publication: Organometallics
• Year of publication: 2006
• a: 6.0714 ± 0.0002 Å
• b: 6.8277 ± 0.0003 Å
• c: 12.4527 ± 0.0005 Å
• α: 92.143 ± 0.002°
• β: 90.633 ± 0.002°
• γ: 101.523 ± 0.002°
• Cell volume: 505.36 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No