Information card for entry 4061819

Structure parameters

• Formula: C42 H58 Si3 Ti
• Calculated formula: C42 H58 Si3 Ti
• SMILES: [Ti]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)C(=C9[Si](C#C[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 15.167 ± 0.0004 Å
• b: 11.327 ± 0.0002 Å
• c: 23.486 ± 0.0006 Å
• α: 90°
• β: 95.515 ± 0.001°
• γ: 90°
• Cell volume: 4016.14 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No