Information card for entry 4065060

Structure parameters

• Formula: C37 H52 Cr N2 O
• Calculated formula: C37 H52 Cr N2 O
• Title of publication: Trianionic NCN3‒Pincer Complexes of Chromium in Four Oxidation States (CrII, CrIII, CrIV, CrV): Determination of the Active Catalyst in Selective 1-Alkene to 2-Alkene Isomerization
• Authors of publication: McGowan, Kevin P.; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4949
• a: 34.092 ± 0.004 Å
• b: 11.7102 ± 0.0014 Å
• c: 17.247 ± 0.002 Å
• α: 90°
• β: 104.138 ± 0.002°
• γ: 90°
• Cell volume: 6676.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No