Information card for entry 7714186

Structure parameters

• Formula: C18 H9 Fe4 O13 P
• Calculated formula: C18 H9 Fe4 O13 P
• Title of publication: Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals
• Authors of publication: Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.7479 ± 0.0004 Å
• b: 8.7479 ± 0.0004 Å
• c: 54.779 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3630.4 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No