Information card for entry 4061467

Structure parameters

• Formula: C12 H12 Zr
• Calculated formula: C12 H12 Zr
• SMILES: [CH]12=[CH]3[CH]4=[CH]5[Zr]6789%10%11134([CH]2=[CH]6C57)[cH]1[cH]8[cH]%10[cH]%11[cH]91
• Title of publication: Cycloheptatrienyl-Cyclopentadienlyl-Zirconium Sandwich Complexes: Structure and Bonding
• Authors of publication: Tamm, M.; Kunst, A.; Bannenberg, T.; Herdtweck, E.; Schmid, R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 3163 - 3171
• a: 11.1033 ± 0.0002 Å
• b: 10.5715 ± 0.0002 Å
• c: 8.2212 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 964.99 ± 0.03 ų
• Cell temperature: 133 ± 1 K
• Ambient diffraction temperature: 133 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No