Information card for entry 7232622

Structure parameters

• Formula: C40 H38 Au O5 P S4
• Calculated formula: C40 H38 Au O5 P S4
• Title of publication: Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect
• Authors of publication: Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 2940
• a: 10.783 ± 0.003 Å
• b: 14.172 ± 0.004 Å
• c: 16.481 ± 0.005 Å
• α: 65.051 ± 0.008°
• β: 80.38 ± 0.013°
• γ: 79.305 ± 0.014°
• Cell volume: 2232.7 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0614
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No