Information card for entry 4126717

Structure parameters

• Common name: FeCl3(PMe3)2
• Formula: C6 H18 Cl3 Fe P2
• Calculated formula: C6 H18 Cl3 Fe P2
• Title of publication: Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes.
• Authors of publication: Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.763 ± 0.0003 Å
• b: 10.5338 ± 0.0003 Å
• c: 13.3513 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1373.07 ± 0.07 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No