Information card for entry 7104292

Structure parameters

• Common name: Chisholm 1492a
• Formula: C48 H80 B2 Ca N12 O6
• Calculated formula: C48 H80 B2 Ca N12 O6
• Title of publication: On the remarkable structural diversity and kinetic lability of TpC*CaX complexes (X = NSi2Me6, OC6H4-p-Me, TpC*) where TpC* = tris[3-(2-methoxy-1,1-dimethylethyl)pyrazolyl]hydroborate.
• Authors of publication: Chisholm, Malcolm H; Gallucci, Judith C; Yaman, Gülşah; Young, Tanya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 1828 - 1830
• a: 14.2546 ± 0.0002 Å
• b: 16.7217 ± 0.0003 Å
• c: 24.6146 ± 0.0005 Å
• α: 90°
• β: 102.84 ± 0.001°
• γ: 90°
• Cell volume: 5720.45 ± 0.17 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No