Information card for entry 4063050

Structure parameters

• Formula: C25 H42 B14 Cl2 Nb2
• Calculated formula: C18 H34 B14 Cl2 Nb2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[CH]58[Nb]58%14%15%16%1747%13([C]42([BH]271[CH]%1154[BH]9%122[BH]36%107)C)([cH]1[cH]8[cH]%14[cH]%15[cH]%161)[Cl][Nb]123456789([BH]%10%11%12[BH]%13%141[BH]1%15%16[BH]%182([CH]4%131)[CH]125[BH]4%10([C]3%111C)[BH]%15%182[BH]%12%14%164)([cH]1[cH]6[cH]7[cH]8[cH]91)[Cl]%17
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 7.7853 ± 0.0003 Å
• b: 16.928 ± 0.001 Å
• c: 12.721 ± 0.0006 Å
• α: 90°
• β: 101.44 ± 0.002°
• γ: 90°
• Cell volume: 1643.19 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1304
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No