Information card for entry 7041209

Structure parameters

• Formula: C57 H80 Cl P Si
• Calculated formula: C57 H80 Cl P Si
• SMILES: [SiH](Pc1c(cc(cc1C(C)C)C(C)C)C(C)C)(Cl)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1ccccc1
• Title of publication: Assembly of NHC-stabilized 2-hydrophosphasilenes from Si(iv) precursors: a Lewis acid-base complex.
• Authors of publication: Dhara, Debabrata; Mandal, Debdeep; Maiti, Avijit; Yildiz, Cem B.; Kalita, Pankaj; Chrysochos, Nicolas; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19290 - 19298
• a: 17.664 ± 0.004 Å
• b: 21.948 ± 0.004 Å
• c: 26.612 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10317 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No