Information card for entry 1574151

Structure parameters

• Formula: C57 H77 N Na O8 P
• Calculated formula: C57.0035 H77.004 N Na O8 P
• Title of publication: Coordination isomerism in dioxophosphorane cyanides
• Authors of publication: Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 6909 - 6917
• a: 10.4814 ± 0.0006 Å
• b: 20.0122 ± 0.0012 Å
• c: 26.3567 ± 0.0015 Å
• α: 91.519 ± 0.002°
• β: 99.269 ± 0.002°
• γ: 99.707 ± 0.002°
• Cell volume: 5370 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No