Information card for entry 4075447

Structure parameters

• Formula: C35 H32 Cr N2 O8
• Calculated formula: C35 H32 Cr N2 O8
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(N1CCCC1)C1=C([C@@]2([C@@]31OCCN3C(=C(C2)C(=O)OCC)c1ccccc1)C)c1ccccc1.[Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(N1CCCC1)C1=C([C@]2([C@]31OCCN3C(=C(C2)C(=O)OCC)c1ccccc1)C)c1ccccc1
• 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: 9.9852 ± 0.0012 Å
• b: 10.0883 ± 0.0012 Å
• c: 16.4519 ± 0.0019 Å
• α: 87.999 ± 0.002°
• β: 75.261 ± 0.002°
• γ: 84.954 ± 0.002°
• Cell volume: 1596.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No