Information card for entry 2007400

Structure parameters

• Chemical name: N,N'-ethylene-bis(salicylideneaminato)-nitrido-chromium(V)
• Formula: C17 H17 Cr N4 O4
• Calculated formula: C17 H17 Cr N4 O4
• SMILES: [Cr]123(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)#N.O=N(=O)C
• Title of publication: The Improved Synthesis of [Cr(N)(salen)].CH~3~NO~2~
• Authors of publication: Jesper Bendix; Scott R. Wilson; Teresa Prussak-Wieckowska
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 923 - 925
• a: 14.8109 ± 0.0004 Å
• b: 9.6159 ± 0.0003 Å
• c: 12.2536 ± 0.0004 Å
• α: 90°
• β: 91.705 ± 0.001°
• γ: 90°
• Cell volume: 1744.39 ± 0.09 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.094
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No