Information card for entry 4311933

Structure parameters

• Formula: Br3 H17 N6 O2 Ru
• Calculated formula: Br3 H14 N6 O2 Ru
• Title of publication: Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N2O and Reactivity
• Authors of publication: Florian Paulat; Torben Kuschel; Christian Näther; V. K. K. Praneeth; Ole Sander; Nicolai Lehnert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6979 - 6994
• a: 12.2337 ± 0.0006 Å
• b: 6.9982 ± 0.0004 Å
• c: 14.5637 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.85 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No