Information card for entry 4320307

Structure parameters

• Formula: C12 H24 Cr N3 O6
• Calculated formula: C12 H24 Cr N3 O6
• SMILES: C1(=O)O[Cr]23([NH2]C1(C)C)([NH2]C(C(=O)O2)(C)C)[NH2]C(C(=O)O3)(C)C
• Title of publication: Dinuclear Chromium(V) Amino Acid Complexes from the Reduction of Chromium(VI) in the Presence of Amino Acid Ligands: XAFS Characterization of a Chromium(V) Amino Acid Complex
• Authors of publication: Henrietta A. Headlam; Colin L. Weeks; Peter Turner; Trevor W. Hambley; Peter A. Lay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5097 - 5105
• a: 17.301 ± 0.008 Å
• b: 17.301 ± 0.008 Å
• c: 9.686 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2511 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No