Information card for entry 4063004

Structure parameters

• Formula: C23 H26 B9 Cu Mn O3 P
• Calculated formula: C23 H26 B9 Cu Mn O3 P
• SMILES: [Mn]123456([CH]789[CH]%10%111[BH]1%122[B]2%13%143([H][Cu]6%14(C5=O)[P](c3ccccc3)(c3ccccc3)c3ccccc3)[BH]347[BH]45%13[BH]6%122[BH]2%111[BH]18%10[BH]934[BH]5621)(C#[O])C#[O]
• Title of publication: Revisiting [Mn(CO)~3~(η^5^-nido-7,8-C~2~B~9~H~11~)], the dicarbollide analogue of [(η^5^-C~5~H~5~)Mn(CO)~3~]: reactivity studies leading to boron-atom functionalization
• Authors of publication: Hata, Mitsuhiro; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 9.2571 ± 0.0005 Å
• b: 12.9976 ± 0.0007 Å
• c: 13.4635 ± 0.0006 Å
• α: 63.579 ± 0.002°
• β: 84.735 ± 0.002°
• γ: 69.717 ± 0.002°
• Cell volume: 1357 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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