Information card for entry 2014319

Structure parameters

• Chemical name: Poly[caesium [[μ~4~-carbido-dodecakis-μ~2~-chloro-hexazirconium]-tri-μ~2~-chloro]]
• Formula: C Cl15 Cs Zr6
• Calculated formula: C Cl15 Cs Zr6
• Title of publication: Cation distribution in the zirconium chloride cluster phase Cs[(Zr~6~C)Cl~15~]
• Authors of publication: Rohm, Henning W.; Köckerling, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: i19 - i20
• a: 18.513 ± 0.002 Å
• b: 13.916 ± 0.001 Å
• c: 9.6383 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2483.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes