Information card for entry 4317386

Structure parameters

• Formula: C23 H26 I N12 Na O
• Calculated formula: C23 H26 I N12 Na O
• SMILES: [I-].[Na]1234([n]5cccn5C(n5ccc[n]15)n1ccc[n]12)[n]1cccn1C(n1ccc[n]13)n1ccc[n]14.C(=O)(C)C
• Title of publication: Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)
• Authors of publication: Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 19 - 27
• a: 16.931 ± 0.001 Å
• b: 22.368 ± 0.003 Å
• c: 7.937 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3005.8 ± 0.9 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0747
• Goodness-of-fit parameter for all reflections: 0.857
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No