Information card for entry 8100880

Structure parameters

• Formula: C36 H64 B F4 P2 Rh
• Calculated formula: C36 H64 B F4 P2 Rh
• SMILES: [CH]12CC[CH]3=[CH]4CC[CH]=1[Rh]1234[P](CCCC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~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: 161 - 164
• a: 19.737 ± 0.004 Å
• b: 10.058 ± 0.002 Å
• c: 20.706 ± 0.004 Å
• α: 90°
• β: 115.86 ± 0.03°
• γ: 90°
• Cell volume: 3698.8 ± 1.3 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: 0.044
• Weighted residual factors for significantly intense reflections: 0.1124
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No