Information card for entry 4060569

Structure parameters

• Formula: C16 H24 Zr
• Calculated formula: C16 H24 Zr
• SMILES: [Zr]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)(C)CC(C)(C)C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.0303 ± 0.0003 Å
• b: 16.5205 ± 0.0007 Å
• c: 21.9315 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2909.5 ± 0.2 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No