Information card for entry 2017024

Structure parameters

• Chemical name: (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)
• Formula: C12 H9 Br Cr N2 O3
• Calculated formula: C12 H9 Br Cr N2 O3
• SMILES: [Cr]1234(Br)(N=O)(N=O)[c]5([cH]1[cH]2[cH]3[cH]45)C(=O)c1ccccc1
• Title of publication: <!?tlsb=-0.06pt>Bromido(η^5^-carboxycyclopentadienyl)dinitrosylchromium(0) and (η^5^-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)
• Authors of publication: Wang, Yu-Pin; Leu, Hsien-Li; Lin, Tso-Shen; Wang, Yu; Lee, Gene-Hsiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m131 - m134
• a: 12.1936 ± 0.0013 Å
• b: 6.5027 ± 0.0009 Å
• c: 16.305 ± 0.002 Å
• α: 90°
• β: 95.731 ± 0.01°
• γ: 90°
• Cell volume: 1286.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes