Information card for entry 4317387

Structure parameters

• Formula: C20 H20 B2 F8 N12 Sr
• Calculated formula: C20 H20 B2 F8 N12 Sr
• SMILES: [Sr]12345([F][B](F)([F]1)F)([F][B](F)(F)F)([n]1n(ccc1)C(n1[n]3ccc1)n1[n]4ccc1)[n]1n(ccc1)C(n1[n]5ccc1)n1[n]2ccc1
• 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: 9.4253 ± 0.0001 Å
• b: 9.4253 ± 0.0001 Å
• c: 55.3713 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4259.96 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.1163
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No