Information card for entry 7126651

Structure parameters

• Chemical name: EmImRe_H2O_100K
• Formula: C64 H84 N36 O4 Re4
• Calculated formula: C64 H92 N36 O4 Re4
• Title of publication: Luminescent ionic liquid formed from a melted rhenium(v) cluster.
• Authors of publication: Yanagisawa, Junichi; Hiraoka, Tomoaki; Kobayashi, Fumiya; Saito, Daisuke; Yoshida, Masaki; Kato, Masako; Takeiri, Fumitaka; Kobayashi, Genki; Ohba, Masaaki; Lindoy, Leonard F.; Ohtani, Ryo; Hayami, Shinya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 57
• Pages of publication: 7957 - 7960
• a: 14.0768 ± 0.0015 Å
• b: 14.8467 ± 0.0016 Å
• c: 20.953 ± 0.002 Å
• α: 90°
• β: 109.516 ± 0.001°
• γ: 90°
• Cell volume: 4127.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No