Information card for entry 4323986

Structure parameters

• Chemical name: tetraphenylphosphonium tris-μ-chloro-hexachloro-di- zirconium
• Formula: C24 H20 Cl9 P Zr2
• Calculated formula: C24 H20 Cl9 P Zr2
• 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: 12.38 ± 0.005 Å
• b: 12.883 ± 0.005 Å
• c: 11 ± 0.004 Å
• α: 110.39 ± 0.07°
• β: 98.29 ± 0.07°
• γ: 73.12 ± 0.04°
• Cell volume: 1571.8 ± 1.3 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: 0.0652
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No