Information card for entry 4062136

Structure parameters

• Formula: C63 H79 N O3 Zr
• Calculated formula: C63 H79 N O3 Zr
• SMILES: [Zr]123(Oc4c(cc(cc4C[N]3(Cc3[o]2ccc3)Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 16.297 ± 0.0002 Å
• b: 15.796 ± 0.0002 Å
• c: 22.016 ± 0.0003 Å
• α: 90°
• β: 101.302 ± 0.0008°
• γ: 90°
• Cell volume: 5557.62 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No