Information card for entry 4060606

Structure parameters

• Common name: scj 328
• Formula: C15 H8 Mn2 O6
• Calculated formula: C15 H8 Mn2 O6
• SMILES: [Mn]1234([c]567[cH]3[cH]2[cH]4[c]216[Mn]135(C#[O])([c]2([cH]1[cH]73)C)(C#[O])C#[O])(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: 6.7712 ± 0.0002 Å
• b: 7.5109 ± 0.0003 Å
• c: 16.5455 ± 0.0005 Å
• α: 88.334 ± 0.002°
• β: 81.164 ± 0.002°
• γ: 65.199 ± 0.002°
• Cell volume: 754.21 ± 0.05 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