Information card for entry 7004750

Structure parameters

• Formula: C40 H30 Br2 F12 N8 O4 P2 Ru S2
• Calculated formula: C40 H30 Br2 F12 N8 O4 P2 Ru S2
• 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: 42.2425 ± 0.0005 Å
• b: 9.1394 ± 0.0001 Å
• c: 27.5009 ± 0.0003 Å
• α: 90°
• β: 118.187 ± 0.0007°
• γ: 90°
• Cell volume: 9358.17 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0693
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No