Information card for entry 7028819

Structure parameters

• Formula: C66 H73 F12 N11 O6 P2 Re2
• Calculated formula: C66 H73 F12 N11 O6 P2 Re2
• Title of publication: Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.
• Authors of publication: Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2259 - 2271
• a: 9.8542 ± 0.0001 Å
• b: 24.3821 ± 0.0003 Å
• c: 29.5971 ± 0.0004 Å
• α: 90°
• β: 96.311 ± 0.001°
• γ: 90°
• Cell volume: 7068.08 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0305
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No