Information card for entry 4323550

Structure parameters

• Chemical name: tris(tetrapropylammonium)-dodecakis(μ-chloro)-hexachloro- pentahydrido-hexa-zirconium
• Formula: C36 H89 Cl18 N3 Zr6
• Calculated formula: C36 Cl18 N3 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: 15.093 ± 0.003 Å
• b: 15.093 ± 0.003 Å
• c: 15.093 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3438.2 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No