Information card for entry 7014813

Structure parameters

• Formula: C40 H54 Co N6 O10 S4
• Calculated formula: C40 H54 Co N6 O10 S4
• SMILES: [Co]1234(N([C@H](COC)C)C(=O)c5[n]1c(ccc5)C(=O)N2[C@@H](C)COC)N([C@H](COC)C)C(=O)c1[n]3c(ccc1)C(=O)N4[C@@H](C)COC.S1C=CSC1=C1SC=CS1.O(CC)C(=O)C
• 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: 9.5854 ± 0.0001 Å
• b: 25.4527 ± 0.0003 Å
• c: 9.7448 ± 0.0001 Å
• α: 90°
• β: 113.302 ± 0.002°
• γ: 90°
• Cell volume: 2183.56 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No