Information card for entry 7041815

Structure parameters

• Formula: C32 H48 Ca N3
• Calculated formula: C32 H48 Ca N3
• Title of publication: β-Diketiminate calcium hydride complexes: the importance of solvent effects.
• Authors of publication: Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Färber, Christian; Intemann, Julia; Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1822 - 1831
• a: 8.88056 ± 0.00013 Å
• b: 15.123 ± 0.0002 Å
• c: 22.2473 ± 0.0003 Å
• α: 90°
• β: 96.5639 ± 0.0013°
• γ: 90°
• Cell volume: 2968.24 ± 0.07 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No