Information card for entry 7004228

Structure parameters

• Common name: in paper 2
• Formula: C50.5 H56 B Cl5 F4 N4 P2 Ru
• Calculated formula: C50.5 H56 B Cl5 F4 N4 P2 Ru
• Title of publication: Controlling the binding of dihydrogen using ruthenium complexes containing N-mono-functionalised 1,4,7-triazacyclononane ligand systems
• Authors of publication: Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3729 - 3738
• a: 14.3337 ± 0.0004 Å
• b: 17.2454 ± 0.0005 Å
• c: 21.8269 ± 0.0007 Å
• α: 90°
• β: 103.428 ± 0.002°
• γ: 90°
• Cell volume: 5247.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No