Information card for entry 1503676

Structure parameters

• Formula: C25 H30 N2 Ni O
• Calculated formula: C25 H30 N2 Ni O
• SMILES: [Ni]1([N](=C2C(O1)=CC=CC=C2)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C
• Title of publication: Catalytic Polymerization in Dense CO2to Controlled Microstructure Polyethylenes
• Authors of publication: Guironnet, Damien; Göttker-Schnetmann, Inigo; Mecking, Stefan
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 8157
• a: 15.7604 ± 0.0013 Å
• b: 8.4707 ± 0.0005 Å
• c: 16.8054 ± 0.0015 Å
• α: 90°
• β: 96.515 ± 0.007°
• γ: 90°
• Cell volume: 2229.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No