Information card for entry 4320912

Structure parameters

• Formula: C41 H69 Cl18 Mn N12 Zr6
• Calculated formula: C41 H55 Cl18 Mn N12 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: 18.664 ± 0.004 Å
• b: 17.468 ± 0.004 Å
• c: 23.591 ± 0.005 Å
• α: 90°
• β: 104.73 ± 0.03°
• γ: 90°
• Cell volume: 7438 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.0886
• Goodness-of-fit parameter for all reflections: 0.92
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No