Information card for entry 4106046

Structure parameters

• Formula: C24 H50 Cr Li N4 O P2
• Calculated formula: C24 H50 Cr Li N4 O P2
• SMILES: [Cr]12345([N]6(P7[N]8([Li]([N]17C(C)(C)C)([N]2(P68)C(C)(C)C)[O]1CCCC1)C(C)(C)C)C(C)(C)C)[CH2]=[CH]3[CH]4=[CH2]5
• Title of publication: Vinyl Oxidative Coupling as a Synthetic Route to Catalytically Active Monovalent Chromium
• Authors of publication: Khalid Albahily; Yacoob Shaikh; Elena Sebastiao; Sandro Gambarotta; Ilia Korobkov; Serge I. Gorelsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6388 - 6395
• a: 16.3492 ± 0.0008 Å
• b: 9.8141 ± 0.0005 Å
• c: 19.5718 ± 0.001 Å
• α: 90°
• β: 110.647 ± 0.003°
• γ: 90°
• Cell volume: 2938.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No