Information card for entry 4075446

Structure parameters

• Formula: C28 H29 N O3 Se2
• Calculated formula: C28 H29 N O3 Se2
• SMILES: [Se]=C(OCC)C1=C([C@@]2([C@@]31OCCN3C(=C(C2)C(=[Se])OCC)c1ccccc1)C)c1ccccc1.[Se]=C(OCC)C1=C([C@]2([C@]31OCCN3C(=C(C2)C(=[Se])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: 9.8424 ± 0.0012 Å
• b: 10.0858 ± 0.0013 Å
• c: 14.5902 ± 0.0018 Å
• α: 107.768 ± 0.002°
• β: 103.307 ± 0.002°
• γ: 100.49 ± 0.002°
• Cell volume: 1291.5 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No