Information card for entry 8100875

Structure parameters

• Formula: C34 H34 B F4 P2 Rh
• Calculated formula: C34 H34 B F4 P2 Rh
• SMILES: [CH]12=[CH]3C4[CH]5=[CH](C1C4)[Rh]1235[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh
• Authors of publication: Kempe, Rhett; Spannenberg, Anke; Heller, Detlef
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 153 - 156
• a: 15.193 ± 0.003 Å
• b: 12.835 ± 0.003 Å
• c: 17.096 ± 0.003 Å
• α: 90°
• β: 114.29 ± 0.03°
• γ: 90°
• Cell volume: 3038.6 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0537
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No