Information card for entry 4334540

Structure parameters

• Common name: Integration of bn_km_76
• Formula: C46 H70 N2 Si
• Calculated formula: C46 H70 N2 Si
• SMILES: [Si](=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Easy Access to Silicon(0) and Silicon(II) Compounds
• Authors of publication: Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4736 - 4743
• a: 9.522 ± 0.001 Å
• b: 11.177 ± 0.001 Å
• c: 20.479 ± 0.002 Å
• α: 81.98 ± 0.01°
• β: 89.87 ± 0.01°
• γ: 72.49 ± 0.02°
• Cell volume: 2056.4 ± 0.4 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No