Information card for entry 4323984

Structure parameters

• Chemical name: bis(tetraphenylphosphonium) dodecakis-/m-chloro-hexachloro- hexahydrido-hexa-zirconium
• Formula: C48 H46 Cl18 P2 Zr6
• Calculated formula: C48.01 H42.5 Cl18 P2 Zr6
• Title of publication: Synthesis, Structure, and Reactivity of [Zr6Cl18H5]2-, the First Paramagnetic Species of Its Class
• Authors of publication: Linfeng Chen; F. Albert Cotton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7364 - 7369
• a: 28.546 ± 0.003 Å
• b: 28.546 ± 0.003 Å
• c: 27.679 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19533 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1568
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.0938
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No