Information card for entry 7041820

Structure parameters

• Formula: C42 H72 Ca N3 O2 Si2
• Calculated formula: C42 H72 Ca N3 O2 Si2
• 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: 11.687 ± 0.00018 Å
• b: 18.0806 ± 0.0002 Å
• c: 21.811 ± 0.0004 Å
• α: 90°
• β: 105.372 ± 0.0017°
• γ: 90°
• Cell volume: 4443.96 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.037
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No