Information card for entry 4085493

Structure parameters

• Common name: Compound 3
• Formula: C43 H66 Cl2 Cr N2 O2
• Calculated formula: C43 H66 Cl2 Cr N2 O2
• Title of publication: Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond
• Authors of publication: Noor, Awal; Schwarz, Stefan; Kempe, Rhett
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2122
• a: 10.594 ± 0.001 Å
• b: 14.89 ± 0.001 Å
• c: 15.403 ± 0.001 Å
• α: 63.156 ± 0.005°
• β: 86.6 ± 0.005°
• γ: 78.347 ± 0.005°
• Cell volume: 2121.8 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No