Information card for entry 4088925

Structure parameters

• Formula: C39 H71 Ca N3 O Si2
• Calculated formula: C39 H71 Ca N3 O Si2
• SMILES: [Ca]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O](CC)CC
• 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: 10.6373 ± 0.0004 Å
• b: 12.4259 ± 0.0003 Å
• c: 16.4223 ± 0.0003 Å
• α: 90.146 ± 0.002°
• β: 92.606 ± 0.002°
• γ: 98.163 ± 0.003°
• Cell volume: 2146.36 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No