Information card for entry 4333735

Structure parameters

• Formula: C92 H146.4 Cl2 Fe12 N13 O40.7
• Calculated formula: C92 H122 Cl2 Fe12 N13 O40.7
• 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: 15.4735 ± 0.0002 Å
• b: 16.0289 ± 0.0002 Å
• c: 16.9333 ± 0.0003 Å
• α: 116.87 ± 0.001°
• β: 105.874 ± 0.001°
• γ: 98.732 ± 0.001°
• Cell volume: 3412.82 ± 0.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No