Information card for entry 4075445

Structure parameters

• Formula: C33 H29 Cr N O8 Se
• Calculated formula: C33 H29 Cr N O8 Se
• SMILES: [Cr](=C(OCC)C1=C(N2[C@]3(OCC2)C(C(=[Se])OCC)=C([C@@]3(C1)C)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Cr](=C(OCC)C1=C(N2[C@@]3(OCC2)C(C(=[Se])OCC)=C([C@]3(C1)C)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation
• Authors of publication: Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5301 - 5310
• a: 11.045 ± 0.004 Å
• b: 23.888 ± 0.01 Å
• c: 12.305 ± 0.005 Å
• α: 90°
• β: 107.215 ± 0.009°
• γ: 90°
• Cell volume: 3101 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2042
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No