Information card for entry 7215258

Structure parameters

• Formula: C58 H48 F6 N10 O15 Re2 S2
• Calculated formula: C58 H45 F6 N10 O15 Re2 S2
• Title of publication: An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation
• Authors of publication: Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4641
• a: 11.4748 ± 0.0007 Å
• b: 26.9371 ± 0.0018 Å
• c: 23.6378 ± 0.0013 Å
• α: 90°
• β: 96.295 ± 0.003°
• γ: 90°
• Cell volume: 7262.3 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No