Information card for entry 7028663

Structure parameters

• Common name: (IPrEtOMe)2NiCl2
• Formula: C36 H52 Cl2 N4 Ni O2
• Calculated formula: C36 H52 Cl2 N4 Ni O2
• SMILES: COCCN1C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[Ni](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)CCOC)(Cl)Cl
• Title of publication: Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).
• Authors of publication: Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4700 - 4710
• a: 28.655 ± 0.003 Å
• b: 8.0546 ± 0.0008 Å
• c: 16.2099 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3741.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No