Information card for entry 1572867

Structure parameters

• Formula: C36 H61 N2 P Si2
• Calculated formula: C36 H61 N2 P Si2
• Title of publication: Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
• Authors of publication: Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 18.994 ± 0.002 Å
• b: 11.672 ± 0.002 Å
• c: 19.431 ± 0.003 Å
• α: 90°
• β: 118.39 ± 0.02°
• γ: 90°
• Cell volume: 3789.7 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No