Information card for entry 7003625

Structure parameters

• Common name: L3CrN3
• Formula: C18 H25 Cr N6 O5
• Calculated formula: C18 H25 Cr N6 O5
• SMILES: [Cr]1234([N]5(CC[N]1(CC[N]2(CC5)CC(=O)O4)CC(=O)O3)Cc1ccc(cc1)OC)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: 13.2255 ± 0.0006 Å
• b: 9.4894 ± 0.0004 Å
• c: 30.5577 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3835.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No