Information card for entry 7002120

Structure parameters

• Formula: C25 H47 N3 O Si2 Zn
• Calculated formula: C25 H47 N3 O Si2 Zn
• SMILES: C1=2N(CCN1c1c(cccc1C(C)C)C(C)C)CC(C)(C)O[Zn]2N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Magnesium and zinc complexes of functionalised, saturated N-heterocyclic carbene ligands: carbene lability and functionalisation, and lactide polymerisation catalysis
• Authors of publication: Arnold, Polly L.; Casely, Ian J.; Turner, Zoë R.; Bellabarba, Ronan; Tooze, Robert B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7236
• a: 11.245 ± 0.0004 Å
• b: 11.7949 ± 0.0005 Å
• c: 23.0602 ± 0.0008 Å
• α: 90°
• β: 101.339 ± 0.001°
• γ: 90°
• Cell volume: 2998.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No