Information card for entry 7002121

Structure parameters

• Formula: C16 H38 K N3 O Si2
• Calculated formula: C16 H38 K N3 O Si2
• SMILES: [K]12([N]3([C@@H]4N(CC3)CC([O]14)(C)C)C(C)C)[N]([Si](C)(C)C)([Si](C)(C)C)[K]1([N]3([C@H]4N(CC3)CC([O]14)(C)C)C(C)C)[N]2([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: 9.949 ± 0.0004 Å
• b: 10.997 ± 0.0005 Å
• c: 12.237 ± 0.0005 Å
• α: 95.194 ± 0.002°
• β: 111.793 ± 0.002°
• γ: 108.661 ± 0.002°
• Cell volume: 1143.97 ± 0.09 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: 0.1162
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No