Information card for entry 4317764

Structure parameters

• Formula: C108 H91 Cl20 N4 P6 Zr6
• Calculated formula: C108 H91 Cl20 N4 P6 Zr6
• Title of publication: N-Centered Hexazirconium Chloride Clusters: Excision and Redox Chemistry
• Authors of publication: Xiaobing Xie; Timothy Hughbanks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1824 - 1830
• a: 14.6353 ± 0.0006 Å
• b: 16.5553 ± 0.0007 Å
• c: 27.2426 ± 0.0011 Å
• α: 94.566 ± 0.001°
• β: 100.337 ± 0.001°
• γ: 114.499 ± 0.001°
• Cell volume: 5820.8 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No