Information card for entry 4337732

Structure parameters

• Formula: C48 H59 Cl Co N6 O
• Calculated formula: C48 H59 Cl Co N6 O
• SMILES: [Co]123Oc4c(C[N]1(CCN1C=2N(C=C1)c1c(cc(cc1C)C)C)CCN1C=3N(C=C1)c1c(cc(cc1C)C)C)cc(cc4C12CC3CC(CC(C1)C3)C2)C.[Cl-].N#CC
• Title of publication: Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.
• Authors of publication: Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2460 - 2470
• a: 9.7911 ± 0.0003 Å
• b: 11.4573 ± 0.0007 Å
• c: 40.34 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No