Information card for entry 4323546

Structure parameters

• Formula: C82 H79 Cl23.19 I0.81 P3 Zr6
• Calculated formula: C82 H55 Cl23.181 I0.819 P3 Zr6
• Title of publication: Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms
• Authors of publication: Linfeng Chen; F. Albert Cotton; William A. Wojtczak
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4047 - 4054
• a: 19.786 ± 0.005 Å
• b: 19.071 ± 0.004 Å
• c: 27.397 ± 0.005 Å
• α: 90°
• β: 90.22 ± 0.03°
• γ: 90°
• Cell volume: 10338 ± 4 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: 0.1591
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.168
• Weighted residual factors for significantly intense reflections: 0.1226
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No