Information card for entry 7014810

Structure parameters

• Formula: C47 H46 Co K N6 O5
• Calculated formula: C47 H46 Co K N6 O5
• SMILES: [Co]1234(N([C@@H](c5ccccc5)C)C(=O)c5[n]1c(ccc5)C(=O)N2[C@H](C)c1ccccc1)N([C@@H](c1ccccc1)C)C(=O)c1[n]3c(ccc1)C(=O)N4[C@H](C)c1ccccc1.[K+].OC
• Title of publication: TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state.
• Authors of publication: Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1722 - 1731
• a: 9.8734 ± 0.0002 Å
• b: 17.1654 ± 0.0003 Å
• c: 12.484 ± 0.0002 Å
• α: 90°
• β: 95.238 ± 0.002°
• γ: 90°
• Cell volume: 2106.96 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No