Information card for entry 7003511

Structure parameters

• Formula: C52 H40 K2 N2
• Calculated formula: C52 H40 K2 N2
• SMILES: c12c(cc(cc1c1cc(cc(c1[n-]2)c1ccccc1)C)C)c1ccccc1.[K+]
• Title of publication: Bulky aryl functionalized carbazolyl ligands: amido alternatives to the 2,6-diarylphenyl ligand class?
• Authors of publication: Coombs, Natalie D.; Stasch, Andreas; Cowley, Andrew; Thompson, Amber L.; Aldridge, Simon
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 332
• a: 11.05 ± 0.005 Å
• b: 11.472 ± 0.005 Å
• c: 16.097 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.146 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1969.7 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No