Information card for entry 7245603

Structure parameters

• Formula: C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10
• Calculated formula: C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10
• Title of publication: Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay
• Authors of publication: Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 32.9341 ± 0.0014 Å
• b: 26.3182 ± 0.0014 Å
• c: 20.9738 ± 0.0007 Å
• α: 90°
• β: 126.718 ± 0.004°
• γ: 90°
• Cell volume: 14572.4 ± 1.3 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No