Information card for entry 4333734

Structure parameters

• Formula: C94.4 H159.8 Fe10 N10.2 O41.6
• Calculated formula: C94.4 H126 Fe10 N10.2 O41.6
• Title of publication: 2-Pyrrolyloximes in High-Nuclearity Transition-Metal Cluster Chemistry: Fe10 and Fe12
• Authors of publication: Evangelia S. Koumousi; Anastasia Routzomani; Tu N. Nguyen; Dimosthenis P. Giannopoulos; Catherine P. Raptopoulou; Vassilis Psycharis; George Christou; Theocharis C. Stamatatos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1176 - 1178
• a: 13.5678 ± 0.0003 Å
• b: 15.6628 ± 0.0003 Å
• c: 18.633 ± 0.0003 Å
• α: 105.195 ± 0.001°
• β: 92.884 ± 0.001°
• γ: 113.185 ± 0.001°
• Cell volume: 3459.66 ± 0.12 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No