Information card for entry 4312505

Structure parameters

• Chemical name: bis(dibenzoylmethanoato)nitrido-chromium(V)
• Formula: C30 H22 Cr N O4
• Calculated formula: C30 H22 Cr N O4
• SMILES: [Cr]12([O]=C(c3ccccc3)C=C(O1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)#N
• Title of publication: Atom Transfer as a Preparative Tool in Coordination Chemistry. Synthesis and Characterization of Cr(V) Nitrido Complexes of Bidentate Ligands
• Authors of publication: Torben Birk; Jesper Bendix
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7608 - 7615
• a: 14.694 ± 0.0006 Å
• b: 16.457 ± 0.0018 Å
• c: 19.89 ± 0.003 Å
• α: 90 ± 0.011°
• β: 90 ± 0.007°
• γ: 90 ± 0.006°
• Cell volume: 4809.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No