Information card for entry 4061226

Structure parameters

• Formula: C47 H85 Cl N2 O Si2 Zr
• Calculated formula: C47 H85 Cl N2 O Si2 Zr
• SMILES: [Zr]1(Cl)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.CCOCC
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 15.3155 ± 0.0014 Å
• b: 17.769 ± 0.0016 Å
• c: 18.5821 ± 0.0017 Å
• α: 90°
• β: 91.059 ± 0.002°
• γ: 90°
• Cell volume: 5056.1 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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