Information card for entry 4060461

Structure parameters

• Formula: C24 H24 Zr2
• Calculated formula: C24 H24 Zr2
• SMILES: [cH]12[cH]3[Zr]456789%10%111([cH]3[cH]4[cH]25)([CH2]=[C]16[C]27=[CH2][Zr]34567%12%13%1412([cH]1[cH]3[cH]4[cH]5[cH]61)[cH]1[cH]7[cH]%12[cH]%13[cH]%141)[cH]1[cH]8[cH]9[cH]%10[cH]%111
• Title of publication: Reaction of 1-Zirconacyclopent-3-yne with "Zirconocene": Synthesis and Structure of Bimetallic 1,2,3-Butatriene Complexes
• Authors of publication: Suzuki, Noriyuki; Watanabe, Takaaki; Iwasaki, Masakazu; Chihara, Teiji
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2065 - 2069
• a: 8.7249 ± 0.0006 Å
• b: 7.9789 ± 0.0006 Å
• c: 13.8141 ± 0.0008 Å
• α: 90°
• β: 91.116 ± 0.003°
• γ: 90°
• Cell volume: 961.5 ± 0.1 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 3
• 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