Information card for entry 4084355

Structure parameters

• Formula: C42 H64 N2 Zr
• Calculated formula: C41.9998 H55 N2 Zr
• Title of publication: Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors
• Authors of publication: Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5220
• a: 8.161 ± 0.003 Å
• b: 22.558 ± 0.006 Å
• c: 23.013 ± 0.004 Å
• α: 110.75 ± 0.04°
• β: 96.16 ± 0.04°
• γ: 96.57 ± 0.05°
• Cell volume: 3886 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.3549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No