Information card for entry 4075719

Structure parameters

• Formula: C46 H44 Cl2 N Ni O2 P2 Zn
• Calculated formula: C46 H44 Cl2 N Ni O2 P2 Zn
• Title of publication: Nickel-Catalyzed Isomerization of 2-Methyl-3-butenenitrile†
• Authors of publication: Wilting, Jos; Müller, Christian; Hewat, Alison C.; Ellis, Dianne D.; Tooke, Duncan M.; Spek, Anthony L.; Vogt, Dieter
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 13
• a: 24.9627 ± 0.0004 Å
• b: 12.0804 ± 0.0002 Å
• c: 28.9802 ± 0.0005 Å
• α: 90°
• β: 106.786 ± 0.0007°
• γ: 90°
• Cell volume: 8366.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No