Information card for entry 4331633

Structure parameters

• Chemical name: μ7-Hydroxo-tris(μ4-3,5-Di-tert-butyl-1H-pyrazolato)- tris(μ3-3,5-Di-tert-butyl-1H-pyrazolato)-hepta-sodium, bencene solvate
• Formula: C102 H151 N12 Na7 O
• Calculated formula: C102 H151 N12 Na7 O
• 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: 28.396 ± 0.006 Å
• b: 20.922 ± 0.004 Å
• c: 34.878 ± 0.007 Å
• α: 90°
• β: 103.42 ± 0.03°
• γ: 90°
• Cell volume: 20155 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1343
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No