Information card for entry 1564235

Structure parameters

• Formula: C118 H168 Ag3 Au6 Cu3 F9 N6 O36 P6 S6
• Calculated formula: C114 H131.999 Ag3 Au6 Cu3 F2.9997 N6 O16.9998 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: 19.2549 ± 0.0007 Å
• b: 19.2549 ± 0.0007 Å
• c: 74.3872 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23884.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.4281 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No