Information card for entry 7229248

Structure parameters

• Common name: Zinc diphosphonate 1,3-diaminopropane
• Formula: C7 H20 N2 O14 P4 Zn3
• Calculated formula: C7 H20 N2 O14 P4 Zn3
• Title of publication: Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings
• Authors of publication: Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 18.117 ± 0.0004 Å
• b: 9.8448 ± 0.0003 Å
• c: 10.7798 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.67 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No