Information card for entry 4069748

Structure parameters

• Formula: C26 H60 Ca N6 Si4
• Calculated formula: C26 H60 Ca N6 Si4
• SMILES: [Ca](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([n]1cn(cc1)C(C)(C)C)[n]1cn(cc1)C(C)(C)C
• Title of publication: Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies
• Authors of publication: Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4550
• a: 16.6547 ± 0.0003 Å
• b: 10.5277 ± 0.0002 Å
• c: 22.7316 ± 0.0004 Å
• α: 90°
• β: 106.132 ± 0.001°
• γ: 90°
• Cell volume: 3828.72 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No