Information card for entry 4317946

Structure parameters

• Formula: C6 H16 N2 O12 P4 Zn3
• Calculated formula: C6 H16 N2 O12 P4 Zn3
• Title of publication: Synthesis, Characterization, and Crystal Structures of Two Divalent Metal Diphosphonates with a Layered and a 3D Network Structure
• Authors of publication: Jiang-Gao Mao; Zhike Wang; Abraham Clearfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2334 - 2340
• a: 7.7788 ± 0.0009 Å
• b: 17.0248 ± 0.0019 Å
• c: 13.0412 ± 0.0015 Å
• α: 90°
• β: 94.597 ± 0.002°
• γ: 90°
• Cell volume: 1721.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No