Information card for entry 4003136

Structure parameters

• Formula: C24 H40 Li Ni O11 S10
• Calculated formula: C24 H36 Li Ni O11 S10
• Title of publication: Optimizing Lithium Ion Conduction through Crown Ether-Based Cylindrical Channels in [Ni(dmit)2]− Salts
• Authors of publication: Ichihashi, Katsuya; Konno, Daisuke; Date, Takuya; Nishimura, Takumi; Maryunina, Kseniya Yu.; Inoue, Katsuya; Nakaya, Toshimi; Toyoda, Kazuhiro; Tatewaki, Yoko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Nishihara, Sadafumi
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 7130
• a: 11.5264 ± 0.0008 Å
• b: 12.7009 ± 0.0009 Å
• c: 13.7691 ± 0.0009 Å
• α: 82.6384 ± 0.0007°
• β: 88.3814 ± 0.0008°
• γ: 69.7873 ± 0.0007°
• Cell volume: 1875.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No