Information card for entry 7133878

Structure parameters

• Formula: C7 Cl6 N P
• Calculated formula: C6.9996 Cl6 N P
• Title of publication: A polychloride-enabled synthesis of [NEt₃Me][PCl₆] serving as a potential PCl₃-storage and PCl₅-reagent.
• Authors of publication: Ernst, Moritz J.; Kleoff, Merlin; Voßnacker, Patrick; Thiele, Günther; Müller, Christian; Riedel, Sebastian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 91
• Pages of publication: 13372 - 13375
• a: 7.2009 ± 0.0009 Å
• b: 7.2009 ± 0.0009 Å
• c: 7.2009 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 373.39 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No