Information card for entry 4323548

Structure parameters

• Chemical name: tris(tetraphenylphosphonium) dodecakis-μ-chloro-hexachloro- pentahydrido-hexa-zirconium tetrakis(toluene solvate)
• Formula: C100 H97 Cl18 P3 Zr6
• Calculated formula: C100 H89 Cl18 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: 14.501 ± 0.005 Å
• b: 26.63 ± 0.009 Å
• c: 14.049 ± 0.005 Å
• α: 90.39 ± 0.03°
• β: 94.19 ± 0.03°
• γ: 82.59 ± 0.01°
• Cell volume: 5365 ± 3 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: 0.1141
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1683
• Weighted residual factors for significantly intense reflections: 0.1424
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No