Information card for entry 4314261

Structure parameters

• Formula: C63 H98 O12 P2 Zr2
• Calculated formula: C63 H98 O12 P2 Zr2
• 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: 12.326 ± 0.002 Å
• b: 12.423 ± 0.002 Å
• c: 13.696 ± 0.003 Å
• α: 67 ± 0.03°
• β: 71.89 ± 0.03°
• γ: 67.5 ± 0.03°
• Cell volume: 1751.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No