Information card for entry 4506900

Structure parameters

• Formula: C8 H9 F2 N O5 P Zr
• Calculated formula: C8 F2 N O5 P Zr
• Title of publication: Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination
• Authors of publication: Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5462
• a: 17.6407 ± 0.0008 Å
• b: 13.0625 ± 0.0006 Å
• c: 9.9599 ± 0.0005 Å
• α: 90°
• β: 97.727 ± 0.006°
• γ: 90°
• Cell volume: 2274.24 ± 0.19 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• RFsqd: 0.10925
• Goodness-of-fit parameter for all reflections: 8.85
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No