Information card for entry 7002117

Structure parameters

• Formula: C38 H80 Mg2 N6 O2 Si4
• Calculated formula: C38 H80 Mg2 N6 O2 Si4
• SMILES: C12N(CCN1C(C)C)CC(C)([O]1[Mg]=2(N([Si](C)(C)C)[Si](C)(C)C)[O](C(CN2C3N(C(C)C)CC2)(C)C)[Mg]1=3N([Si](C)(C)C)[Si](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: 10.092 ± 0.0018 Å
• b: 11.541 ± 0.002 Å
• c: 11.96 ± 0.003 Å
• α: 111.934 ± 0.003°
• β: 103.197 ± 0.003°
• γ: 96.862 ± 0.003°
• Cell volume: 1225.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No