Information card for entry 4316843

Structure parameters

• Formula: C6 F2 N2 O6 P2 Zr
• Calculated formula: C6 F2 N2 O6 P2 Zr
• Title of publication: Synthesis and Crystal Structure from X-ray Powder Diffraction Data of Two Zirconium Diphosphonates Containing Piperazine Groups
• Authors of publication: Marco Taddei; Ferdinando Costantino; Riccardo Vivani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9664 - 9670
• a: 8.71482 ± 0.00018 Å
• b: 8.17309 ± 0.00014 Å
• c: 9.01343 ± 0.00016 Å
• α: 90°
• β: 105.175 ± 0.0012°
• γ: 90°
• Cell volume: 619.61 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.06595
• Goodness-of-fit parameter for all reflections: 2.91
• 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