Information card for entry 4314263

Structure parameters

• Formula: C71.5 H157 O27 P5 Zr3
• Calculated formula: C71.5 H157 O27 P5 Zr3
• Title of publication: Structural Motifs in (t-butoxy)Zirconium Phosphinates, Arsinates, and Phosphates
• Authors of publication: K. C. Kumara Swamy; Michael Veith; Volker Huch; Sanjay Mathur
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5837 - 5843
• a: 19.096 ± 0.004 Å
• b: 20.631 ± 0.004 Å
• c: 26.855 ± 0.005 Å
• α: 90°
• β: 92.43 ± 0.03°
• γ: 90°
• Cell volume: 10571 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No