Information card for entry 7003623

Structure parameters

• Common name: L1CrN3
• Formula: C17 H23 Cr N6 O4
• Calculated formula: C17 H23 Cr N6 O4
• SMILES: [Cr]1234([N]5(CC[N]1(CC[N]2(CC5)CC(=O)O4)CC(=O)O3)Cc1ccccc1)N=N#N
• Title of publication: Bond distances are not always what they appear to be: discovery and un-discovery of the longest Cr(v)N triple bond
• Authors of publication: Song, Yu-Fei; Berry, John F.; Weyhermüller, Thomas; Bill, Eckhard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1864 - 1871
• a: 7.4667 ± 0.0006 Å
• b: 12.8766 ± 0.0009 Å
• c: 18.7793 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.0796
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No