Information card for entry 4088926

Structure parameters

• Formula: C96 H156 Ca2 N6 O2 Si4
• Calculated formula: C96 H156 Ca2 N6 O2 Si4
• Title of publication: Stabilization of Calcium Hydride Complexes by Fine Tuning of Amidinate Ligands
• Authors of publication: Causero, Andrea; Ballmann, Gerd; Pahl, Jürgen; Zijlstra, Harmen; Färber, Christian; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3350
• a: 31.274 ± 0.0005 Å
• b: 22.9849 ± 0.0002 Å
• c: 21.3045 ± 0.0002 Å
• α: 90°
• β: 108.035 ± 0.0013°
• γ: 90°
• Cell volume: 14561.8 ± 0.3 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: 0.0527
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No