Information card for entry 4323547

Structure parameters

• Chemical name: tris(tetraphenylphosphonium) dodecakis-/m-chloro-hexachloro- pentahydrido-hexa-zirconium tris(dicloromethane solvate)
• Formula: C75 H71 Cl24 P3 Zr6
• Calculated formula: C75 H60 Cl23.999 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: 15.993 ± 0.003 Å
• b: 22.237 ± 0.003 Å
• c: 14.67 ± 0.004 Å
• α: 95.31 ± 0.01°
• β: 112.07 ± 0.02°
• γ: 82.06 ± 0.02°
• Cell volume: 4783.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.0963
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No