Information card for entry 4314316

Structure parameters

• Formula: C9 H22 N3 O14 P3 Zn2
• Calculated formula: C9 H22 N3 O14 P3 Zn2
• Title of publication: Synthesis of a Single Four-Ring (S4R) Molecular Zinc Phosphate and Its Assembly to an Extended Polymeric Structure: A Single-Crystal and in-Situ MAS NMR Investigation
• Authors of publication: Srinivasan Natarajan; Leo van Wüllen; Wilhelm Klein; Martin Jansen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6265 - 6273
• a: 8.6833 ± 0.0007 Å
• b: 9.9969 ± 0.0008 Å
• c: 12.0937 ± 0.001 Å
• α: 93.341 ± 0.001°
• β: 101.061 ± 0.002°
• γ: 98.583 ± 0.001°
• Cell volume: 1014.67 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.0686
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No