Information card for entry 4316844

Structure parameters

• Formula: C18 N6 O27 P6 Zr2
• Calculated formula: C18 N6 O27 P6 Zr2
• 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: 19.94 ± 0.0009 Å
• b: 19.94 Å
• c: 9.5728 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3296.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• RFsqd: 0.04626
• Goodness-of-fit parameter for all reflections: 4.04
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No