Information card for entry 1572866

Structure parameters

• Formula: C118 H180 Fe2 N4 O8 P4 Si4
• Calculated formula: C118 H180 Fe2 N4 O8 P4 Si4
• 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: 13.3341 ± 0.0007 Å
• b: 15.4736 ± 0.0009 Å
• c: 16.8028 ± 0.0009 Å
• α: 89.148 ± 0.004°
• β: 68.098 ± 0.004°
• γ: 69.912 ± 0.004°
• Cell volume: 2995.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No