Information card for entry 4060942

Structure parameters

• Formula: C33 H37 B N6 P Rh
• Calculated formula: C33 H37 B N6 P Rh
• SMILES: c12ccccc1[P](c1ccccc1)(c1ccccc1)[RhH]132[n]2c(C)cc(C)[n]2[BH]([n]2c(cc(C)[n]12)C)[n]1c(cc(C)[n]31)C
• Title of publication: Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity
• Authors of publication: Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1321 - 1324
• a: 10.171 ± 0.0009 Å
• b: 16.233 ± 0.0018 Å
• c: 19.984 ± 0.002 Å
• α: 90 ± 0.005°
• β: 104.394 ± 0.004°
• γ: 90 ± 0.005°
• Cell volume: 3195.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No