Information card for entry 4088924

Structure parameters

• Formula: C64 H110 Ca2 N6 Si4
• Calculated formula: C64 H110 Ca2 N6 Si4
• SMILES: [Ca]12([N](=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)[N]([Ca]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(C(C)C)cccc1C(C)C)[N]2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• 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: 11.78345 ± 0.00019 Å
• b: 15.5905 ± 0.0002 Å
• c: 23.5944 ± 0.0004 Å
• α: 102.671 ± 0.0013°
• β: 94.2421 ± 0.0013°
• γ: 106.062 ± 0.0014°
• Cell volume: 4021.74 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No