Information card for entry 7002530

Structure parameters

• Formula: C22 H28 Cl Cu N2
• Calculated formula: C22 H28 Cl Cu N2
• SMILES: [Cu](Cl)=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Ring-opening metathesis polymerization-derived, polymer-bound Cu-catalysts for click-chemistry and hydrosilylation reactions under micellar conditions
• Authors of publication: Pawar, Gajanan M.; Bantu, Bhasker; Weckesser, Jochen; Blechert, Siegfried; Wurst, Klaus; Buchmeiser, Michael R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 9043 - 9051
• a: 30.4627 ± 0.0005 Å
• b: 8.903 ± 0.0002 Å
• c: 15.873 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4304.91 ± 0.14 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No