Information card for entry 4127934

Structure parameters

• Common name: iso-P4O12(PPN)2*H2O
• Formula: C72 H62 N2 O12.59 P8
• Calculated formula: C72 H62 N2 O12.59 P8
• Title of publication: Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.
• Authors of publication: Shepard, Scott M.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 1852 - 1856
• a: 13.4493 ± 0.0005 Å
• b: 19.5239 ± 0.0009 Å
• c: 25.1485 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6603.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No