Information card for entry 7044189

Structure parameters

• Formula: C12 H29 N3 P2 S
• Calculated formula: C12 H29 N3 P2 S
• Title of publication: Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane
• Authors of publication: Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.1254 ± 0.0014 Å
• b: 9.813 ± 0.0006 Å
• c: 20.1672 ± 0.0014 Å
• α: 90°
• β: 115.388 ± 0.004°
• γ: 90°
• Cell volume: 3598.2 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No