Information card for entry 1550126

Structure parameters

• Formula: C36 H60 K6 N12 O68 Rh4 S12 Zn4
• Calculated formula: C36 H60 K5.9996 N12 O67.9993 Rh4 S12 Zn4
• Title of publication: Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals
• Authors of publication: Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 23.5257 ± 0.0001 Å
• b: 23.5257 ± 0.0001 Å
• c: 23.5257 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13020.5 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.6 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No