Information card for entry 7215256

Structure parameters

• Formula: C26 H17 F3 I N4 O7 Re S
• Calculated formula: C26 H17 F3 I N4 O7 Re S
• 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: 9.305 ± 0.0003 Å
• b: 18.728 ± 0.0008 Å
• c: 17.282 ± 0.0006 Å
• α: 90°
• β: 101.354 ± 0.002°
• γ: 90°
• Cell volume: 2952.69 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No