Information card for entry 4337742

Structure parameters

• Formula: C122 H172 Co2 N2 Na2 O8
• Calculated formula: C122 H172 Co2 N2 Na2 O8
• SMILES: [Co]123[O]4c5c(C[N]3(Cc3c([O]1[Na]4([O]1CCCC1)[O]1CCCC1)c(cc(c3)C(C)(C)C)C(C)(C)C)Cc1c([O]2[Na]2[O]4[Co]67Oc8c(C[N]7(Cc7cc(cc(c47)C(C)(C)C)C(C)(C)C)Cc3c([O]26)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc8C(C)(C)C)C(C)(C)C)c(cc(c1)C(C)(C)C)C(C)(C)C)cc(cc5C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 14.6042 ± 0.0016 Å
• b: 27.0532 ± 0.0017 Å
• c: 15.9969 ± 0.0014 Å
• α: 90°
• β: 115.288 ± 0.007°
• γ: 90°
• Cell volume: 5714.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No