Information card for entry 4061641

Structure parameters

• Formula: C32 H39 Br Ni P2
• Calculated formula: C32 H39 Br Ni P2
• SMILES: Br[Ni]([P](CC)(CC)CC)(c1c2ccc3ccc4ccc5ccc(c1)c1c2c3c4c51)[P](CC)(CC)CC
• Title of publication: Nickel and Platinum sigma-Bonded Derivatives of Corannulene
• Authors of publication: Hanbaek Lee; Paul R. Sharp
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 12.743 ± 0.002 Å
• b: 15.139 ± 0.003 Å
• c: 15.564 ± 0.003 Å
• α: 90°
• β: 105.193 ± 0.003°
• γ: 90°
• Cell volume: 2897.4 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No