Information card for entry 4302361

Structure parameters

• Formula: C42 H68 B2 N12 Sr
• Calculated formula: C42 H68 B2 N12 Sr
• SMILES: [BH]1(n2c(cc(CC)[n]23)CC)n2[n](c(cc2CC)CC)[Sr]324([n]3n1c(cc3CC)CC)[n]1n(c(cc1CC)CC)[BH](n1[n]2c(cc1CC)CC)n1[n]4c(cc1CC)CC
• Title of publication: Volatility, High Thermal Stability, and Low Melting Points in Heavier Alkaline Earth Metal Complexes Containing Tris(pyrazolyl)borate Ligands
• Authors of publication: Saly, Mark J.; Heeg, Mary Jane; Winter, Charles H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5303 - 5312
• a: 11.3183 ± 0.0002 Å
• b: 12.5687 ± 0.0003 Å
• c: 16.4972 ± 0.0004 Å
• α: 90°
• β: 106.243 ± 0.001°
• γ: 90°
• Cell volume: 2253.15 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338627
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No