Information card for entry 7003260

Structure parameters

• Common name: [Ru(tpy(2-py))2](PF6)2.4H2O
• Formula: C40 H36 F12 N8 O2 P2 Ru
• Calculated formula: C40 H28 F12 N8 O2 P2 Ru
• Title of publication: Vectorial property dependence in bis{4′-(n-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) and ruthenium(ii) complexes with n = 2, 3 and 4
• Authors of publication: Beves, Jonathon E.; Dunphy, Emma L.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 386
• a: 16.124 ± 0.004 Å
• b: 16.17 ± 0.004 Å
• c: 17.526 ± 0.004 Å
• α: 94.305 ± 0.005°
• β: 99.731 ± 0.004°
• γ: 113.697 ± 0.004°
• Cell volume: 4071.9 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No