Information card for entry 7002119

Structure parameters

• Formula: C38 H80 N6 O2 Si4 Zn2
• Calculated formula: C38 H80 N6 O2 Si4 Zn2
• SMILES: C12N(CCN1C(C)C)CC(C)([O]1[Zn]=2(N([Si](C)(C)C)[Si](C)(C)C)[O]2C(C)(CN3C(N(C(C)C)CC3)=[Zn]12N([Si](C)(C)C)[Si](C)(C)C)C)C.c1ccccc1
• 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: 10.0409 ± 0.0002 Å
• b: 11.4568 ± 0.0003 Å
• c: 11.9216 ± 0.0003 Å
• α: 112.069 ± 0.001°
• β: 102.699 ± 0.001°
• γ: 96.554 ± 0.001°
• Cell volume: 1210.14 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0302
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No