Information card for entry 4077773

Structure parameters

• Formula: C24 H37 Cl N Zr
• Calculated formula: C24 H37 Cl N Zr
• Title of publication: Insertion of Acetonitrile into the Zr−P Bond of [Cp°2ZrCl(PHCy)] (Cy = Cyclohexyl, Cp° = η5-C5EtMe4) Followed by PHCy Elimination To Give [Cp°2(Cl)Zr(μ-NCMe−CMeN)Zr(Cl)Cp°2]†
• Authors of publication: Segerer, Ulrike; Blaurock, Steffen; Sieler, Joachim; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2838
• a: 8.7492 ± 0.0008 Å
• b: 10.6231 ± 0.0011 Å
• c: 13.6351 ± 0.001 Å
• α: 73.608 ± 0.001°
• β: 77.941 ± 0.001°
• γ: 72.72°
• Cell volume: 1150.03 ± 0.18 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No