Information card for entry 7002122

Structure parameters

• Formula: C32 H46 N4 O2 Zn
• Calculated formula: C32 H46 N4 O2 Zn
• SMILES: C1=2N(CCN1c1c(cc(cc1C)C)C)CC(C)(C)O[Zn]12=C2N(CCN2c2c(cc(cc2C)C)C)CC(C)(C)O1
• 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: 45.089 ± 0.004 Å
• b: 11.2093 ± 0.0009 Å
• c: 12.7221 ± 0.0011 Å
• α: 90°
• β: 104.578 ± 0.002°
• γ: 90°
• Cell volume: 6222.9 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No