Information card for entry 7004753

Structure parameters

• Formula: C60 H66 F12 N6 P2 Ru S2 Si2
• Calculated formula: C60 H66 F12 N6 P2 Ru S2 Si2
• Title of publication: Wiring terpyridine: approaches to alkynylthienyl 2,2′:6′,2″-terpyridines
• Authors of publication: Constable, Edwin C.; Figgemeier, Egbert; Housecroft, Catherine E.; Kokatam, Swarna Latha; Medlycott, Elaine A.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6752 - 6762
• a: 11.2501 ± 0.0002 Å
• b: 15.8647 ± 0.0003 Å
• c: 18.8399 ± 0.0003 Å
• α: 86.685 ± 0.0012°
• β: 86.9732 ± 0.0012°
• γ: 77.8687 ± 0.001°
• Cell volume: 3279.1 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0771
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No