Information card for entry 7041210

Structure parameters

• Formula: C70 H97 N2 P Si
• Calculated formula: C70 H97 N2 P Si
• SMILES: P(=[SiH](c1c(c2c(C(C)C)cc(cc2C(C)C)C(C)C)cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C)=C1N(C(=C(N1C)C)C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1ccccc1.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: 20.327 ± 0.004 Å
• b: 14.765 ± 0.003 Å
• c: 21.81 ± 0.004 Å
• α: 90°
• β: 106.508 ± 0.01°
• γ: 90°
• Cell volume: 6276 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No