Information card for entry 4308616

Structure parameters

• Formula: C5 H5 K
• Calculated formula: C5 H5 K
• SMILES: [K+].[c-]1cccc1
• Title of publication: Effect of Crystal Packing on the Structures of Polymeric Metallocenes
• Authors of publication: Robert E. Dinnebier; Sander van Smaalen; Falk Olbrich; Stefan Carlson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 964 - 968
• a: 9.3434 ± 0.0007 Å
• b: 9.3434 Å
• c: 9.9487 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 868.51 ± 0.15 ų
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• RFsqd: 0.26919
• Goodness-of-fit parameter for all reflections: 0.55
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.431329 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes