Information card for entry 1564234

Structure parameters

• Formula: C118 H154 Ag3 Au6 Cu3 F9 N6 O29 P6 S6
• Calculated formula: C118 H131.999 Ag3 Au6 Cu3 F9.0003 N6 O21 P6 S6
• Title of publication: A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice
• Authors of publication: Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 19.2375 ± 0.0004 Å
• b: 19.2375 ± 0.0004 Å
• c: 27.0608 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8673 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No