Information card for entry 4060406

Structure parameters

• Formula: C36 H41 N O Zr
• Calculated formula: C36 H41 N O Zr
• SMILES: [Zr]123456789%10(OCC([NH]1c1c(cccc1C)C)c1ccccc1)[cH]1[cH]2[c]23CCCC[c]42[c]51CC[c]1%10[c]29[c]8([cH]7[cH]61)CCCC2
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.599 ± 0.013 Å
• b: 40.63 ± 0.04 Å
• c: 8.717 ± 0.014 Å
• α: 90°
• β: 108.85 ± 0.04°
• γ: 90°
• Cell volume: 2882 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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