Information card for entry 4060460

Structure parameters

• Formula: C14 H14 Zr
• Calculated formula: C14 H14 Zr
• SMILES: [Zr]123456789%10%11(CC1=C2C3)([cH]1[cH]4[cH]5[cH]6[cH]17)([cH]1[cH]8[cH]9[cH]%10[cH]1%11)
• 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: 12.115 ± 0.0004 Å
• b: 9.2921 ± 0.0003 Å
• c: 9.9839 ± 0.0002 Å
• α: 90°
• β: 91.525 ± 0.002°
• γ: 90°
• Cell volume: 1123.52 ± 0.05 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No