Information card for entry 7004230

Structure parameters

• Common name: in paper 3
• Formula: C46.25 H52.5 Cl1.75 N3 P2 Ru
• Calculated formula: C46.25 H52.5 Cl1.75 N3 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: 19.324 ± 0.0004 Å
• b: 10.204 ± 0.0002 Å
• c: 21.553 ± 0.0005 Å
• α: 90°
• β: 93.623 ± 0.001°
• γ: 90°
• Cell volume: 4241.37 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No