Information card for entry 7004232

Structure parameters

• Common name: in paper 9
• Formula: C30 H39 B2 F8 N4 O2 P Ru
• Calculated formula: C30 H39 B2 F8 N4 O2 P 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: 9.5915 ± 0.0001 Å
• b: 10.2354 ± 0.0001 Å
• c: 18.2375 ± 0.0003 Å
• α: 90.336 ± 0.001°
• β: 96.848 ± 0.0011°
• γ: 113.493 ± 0.001°
• Cell volume: 1627.5 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No