Information card for entry 4320911

Structure parameters

• Formula: C25 H44 Cl18 N8 Zr6
• Calculated formula: C25 H33 Cl18 N8 Zr6
• Title of publication: Chloroaluminate Ionic Liquids as Reagents for Isolating Soluble Hexanuclear Zirconium Halide Cluster Compounds
• Authors of publication: Dong Sun; Timothy Hughbanks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1964 - 1968
• a: 11.77 ± 0.0002 Å
• b: 11.8965 ± 0.0004 Å
• c: 20.972 ± 0.0007 Å
• α: 98.005 ± 0.001°
• β: 98.635 ± 0.002°
• γ: 113.026 ± 0.002°
• Cell volume: 2607.92 ± 0.14 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1638
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0764
• Goodness-of-fit parameter for all reflections: 0.741
• Goodness-of-fit parameter for significantly intense reflections: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No