Information card for entry 7232619

Structure parameters

• Formula: C84 H68 Au Br1.74 Cl0.26 O4 P3 S4
• Calculated formula: C84 H68 Au Br1.7404 Cl0.2596 O4 P3 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: 18.636 ± 0.003 Å
• b: 14.5547 ± 0.0019 Å
• c: 27.872 ± 0.004 Å
• α: 90°
• β: 92.464 ± 0.002°
• γ: 90°
• Cell volume: 7553.1 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• 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: 0.0978
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No