Information card for entry 4323983

Structure parameters

• Chemical name: (tetraphenylphosphnium)[pentachloro-pyridine-zirconium]
• Formula: C29 H25 Cl5 N P Zr
• Calculated formula: C29 H25 Cl5 N P Zr
• 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: 10.399 ± 0.0007 Å
• b: 16.491 ± 0.002 Å
• c: 17.654 ± 0.002 Å
• α: 90 ± 0.007°
• β: 91.542 ± 0.006°
• γ: 90 ± 0.007°
• Cell volume: 3026.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections: 0.1767
• Weighted residual factors for significantly intense reflections: 0.1551
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No