Information card for entry 8100876

Structure parameters

• Formula: C35 H38 B F4 P2 Rh
• Calculated formula: C35 H38 B F4 P2 Rh
• SMILES: [CH]12CC[CH]3=[CH]4CC[CH]=1[Rh]1234[P](c2ccccc2)(c2ccccc2)CCC[P]1(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: 10.343 ± 0.002 Å
• b: 15.15 ± 0.002 Å
• c: 20.432 ± 0.003 Å
• α: 90°
• β: 99.76 ± 0.02°
• γ: 90°
• Cell volume: 3155.3 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0577
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No