Information card for entry 4313078

Structure parameters

• Common name: [Os2(hpp)4Cl2](PF6) hexane
• Formula: C34 H62 Cl2 F6 N12 Os2 P
• Calculated formula: C34.02 H48 Cl2 F6 N12 Os2 P
• Title of publication: The First Structurally Confirmed Paddlewheel Compound with an M27+ Core: [Os2(hpp)4Cl2](PF6)
• Authors of publication: F. Albert Cotton; Naresh S. Dalal; Penglin Huang; Carlos A. Murillo; Ashley C. Stowe; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 670 - 672
• a: 13.2645 ± 0.0008 Å
• b: 13.2645 ± 0.0008 Å
• c: 12.3852 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2179.1 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No