Information card for entry 4088929

Structure parameters

• Formula: C41 H67 Ca N3 Si2
• Calculated formula: C41 H67 Ca N3 Si2
• SMILES: [Ca]123456(N(C(=N[c]72[c]1([cH]5[cH]6[cH]3[c]47C(C)C)C(C)C)C12CC3CC(C2)CC(C1)C3)c1c(C(C)C)cccc1C(C)C)N([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: 9.87724 ± 0.00017 Å
• b: 12.3264 ± 0.0002 Å
• c: 33.7986 ± 0.0007 Å
• α: 90°
• β: 92.2021 ± 0.0017°
• γ: 90°
• Cell volume: 4111.97 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No