Information card for entry 4331637

Structure parameters

• Chemical name: poly-[(3,5-di-tert-butylpyrazolato)potassium]
• Formula: C11 H19 K N2
• Calculated formula: C11 H19 K N2
• SMILES: [K+].[n-]1nc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: 3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures
• Authors of publication: Cortés-Llamas, Sara-Ángelica; Hernández-Lamoneda, Ramón; Velázquez-Carmona, Miguel-Ángel; Muñoz-Hernández, Miguel-Angel; Toscano, Rubén A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 286 - 294
• a: 10.54 ± 0.003 Å
• b: 11.043 ± 0.003 Å
• c: 12.169 ± 0.003 Å
• α: 105.689 ± 0.007°
• β: 104.812 ± 0.006°
• γ: 100.077 ± 0.005°
• Cell volume: 1272.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No