Information card for entry 7042955

Structure parameters

• Formula: C25 H38 N2 Se Si
• Calculated formula: C25 H38 N2 Se Si
• SMILES: [Se]=[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Reactivity studies of silylene [PhC(NtBu)2](C5Me5)Si - reactions with [M(COD)Cl]2 (M = Rh(i), Ir(i)), S, Se, Te, and BH3.
• Authors of publication: Kaufmann, Sebastian; Schäfer, Sebastian; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 9.1397 ± 0.0003 Å
• b: 11.1309 ± 0.0004 Å
• c: 13.2353 ± 0.0005 Å
• α: 90.604 ± 0.003°
• β: 97.098 ± 0.003°
• γ: 110.986 ± 0.003°
• Cell volume: 1245.34 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0339
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No