Information card for entry 7029446

Structure parameters

• Formula: C42 H60 N5 O2 Si4 Sm
• Calculated formula: C42 H60 N5 O2 Si4 Sm
• SMILES: [Sm]12(N([Si](C)(C)C)[Si](C)(C)C)(N(c3ccccc3C3OC[C@H]([N]1=3)c1ccccc1)c1ccccc1C1OC[C@H]([N]2=1)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis.
• Authors of publication: Bennett, Stacey D.; Core, Bryony A.; Blake, Matthew P.; Pope, Simon J. A.; Mountford, Philip; Ward, Benjamin D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5871 - 5885
• a: 21.7225 ± 0.0011 Å
• b: 10.0865 ± 0.0003 Å
• c: 21.249 ± 0.002 Å
• α: 90°
• β: 105.02 ± 0.01°
• γ: 90°
• Cell volume: 4496.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No