Information card for entry 4003137

Structure parameters

• Formula: C21 H32 Li Ni O8.5 S10
• Calculated formula: C21 H30 Li Ni O8.49 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: 10.6327 ± 0.0004 Å
• b: 12.6385 ± 0.0005 Å
• c: 13.35 ± 0.0006 Å
• α: 82.8866 ± 0.0013°
• β: 77.4852 ± 0.0013°
• γ: 86.8376 ± 0.0012°
• Cell volume: 1737.14 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No