Information card for entry 7010461

Structure parameters

• Common name: 00035
• Formula: C98 H203 K7 Si21
• Calculated formula: C98 H203 K7 Si21
• Title of publication: Structural characterization of the columnar alkali metal cyclopentadienide [K{C5H2(SiMe3)3-1,2,4}]∞†
• Authors of publication: Harvey, Melanie J.; Hanusa, Timothy P.; Pink, Maren
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1128
• a: 31.796 ± 0.002 Å
• b: 21.666 ± 0.002 Å
• c: 21.289 ± 0.002 Å
• α: 90°
• β: 90.496 ± 0.002°
• γ: 90°
• Cell volume: 14665 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.2357
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No