Information card for entry 7004751

Structure parameters

• Formula: C84.6 H66.9 B2 Br N7.3 Ru S
• Calculated formula: C84.6 H66.9 B2 Br N7.3 Ru S
• 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: 16.8777 ± 0.0002 Å
• b: 20.662 ± 0.0002 Å
• c: 20.1043 ± 0.0002 Å
• α: 90°
• β: 90.4207 ± 0.0006°
• γ: 90°
• Cell volume: 7010.72 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No