Information card for entry 7245602

Structure parameters

• Formula: C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10
• Calculated formula: C161.2 H227 Cl0.8 Cu14 I14 N5.4 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: 32.9318 ± 0.0018 Å
• b: 26.33 ± 0.002 Å
• c: 20.9841 ± 0.0009 Å
• α: 90°
• β: 126.265 ± 0.005°
• γ: 90°
• Cell volume: 14670.6 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 0.2 K
• Number of distinct elements: 9
• 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: 0.1234
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No