Information card for entry 4062843

Structure parameters

• Formula: C18 H30 B9 Ir
• Calculated formula: C18 H30 B9 Ir
• SMILES: [Ir]1234567([C]89%10%11[C]%12%131([BH]1%14%10[BH]%10%159[BH]928[BH]284[BH]43%12[BH]3%13%14[BH]%121%15[BH]%1092[BH]843%12)Cc1c(C%11)cccc1)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 7.6587 ± 0.0011 Å
• b: 16.045 ± 0.002 Å
• c: 16.74 ± 0.002 Å
• α: 90°
• β: 97.726 ± 0.003°
• γ: 90°
• Cell volume: 2038.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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