Information card for entry 1566698

Structure parameters

• Formula: C58 H102 As7 K2 Nd O12 Si4
• Calculated formula: C58 H102 As7 K2 Nd O12 Si4
• Title of publication: From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides
• Authors of publication: Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.2709 ± 0.0002 Å
• b: 31.995 ± 0.0006 Å
• c: 17.4941 ± 0.0003 Å
• α: 90°
• β: 98.678 ± 0.001°
• γ: 90°
• Cell volume: 7896.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No