Information card for entry 4314317

Structure parameters

• Formula: C9 H20 N3 O12 P3 Zn
• Calculated formula: C9 H20 N3 O12 P3 Zn
• 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: 8.139 ± 0.002 Å
• b: 8.362 ± 0.004 Å
• c: 14.202 ± 0.003 Å
• α: 73.36 ± 0.02°
• β: 87.563 ± 0.015°
• γ: 78.31 ± 0.03°
• Cell volume: 906.8 ± 0.5 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: 0.0378
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0782
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No