Information card for entry 7000248

Structure parameters

• Common name: Chisholm 1463
• Formula: C28 H48 B I N6 O4 Sr
• Calculated formula: C28 H48 B I N6 O4 Sr
• Title of publication: Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 368 - 374
• a: 11.6346 ± 0.001 Å
• b: 18.6487 ± 0.001 Å
• c: 15.6835 ± 0.001 Å
• α: 90°
• β: 93.152 ± 0.003°
• γ: 90°
• Cell volume: 3397.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No