Information card for entry 4317389

Structure parameters

• Formula: C44 H56 I N12 Na
• Calculated formula: C44 H56 I N12 Na
• SMILES: [I-].c1(C)cc(C)[n]2n1C(n1c(cc(C)[n]13)C)n1c(C)cc(C)[n]1[Na]1423[n]2(nc(C)cc2C)C(n2[n]1c(C)cc2C)n1[n]4c(C)cc1C.c1ccccc1.c1ccccc1
• 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: 10.7483 ± 0.0008 Å
• b: 10.7483 ± 0.0008 Å
• c: 35.395 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3541.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No