Information card for entry 7004229

Structure parameters

• Common name: in paper 4
• Formula: C92 H110 B2 Cl0 F8 N6 O4 P4 Ru2
• Calculated formula: C92 H110 B2 F8 N6 O4 P4 Ru2
• 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: 14.8885 ± 0.0001 Å
• b: 18.6298 ± 0.0001 Å
• c: 19.9116 ± 0.0002 Å
• α: 91.74°
• β: 111.43°
• γ: 108.299 ± 0.001°
• Cell volume: 4814.86 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No