Information card for entry 7014812

Structure parameters

• Formula: C52 H46 Co N6 O4 S4
• Calculated formula: C52 H46 Co N6 O4 S4
• SMILES: C1(=O)c2[n]3c(ccc2)C(=O)N([Co]243(N1[C@@H](c1ccccc1)C)N([C@@H](c1ccccc1)C)C(=O)c1[n]4c(ccc1)C(=O)N2[C@H](C)c1ccccc1)[C@H](C)c1ccccc1.S1C(SC=C1)=C1SC=CS1
• 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: 15.868 ± 0.0008 Å
• b: 10.5601 ± 0.0004 Å
• c: 15.6312 ± 0.0007 Å
• α: 90°
• β: 109.222 ± 0.005°
• γ: 90°
• Cell volume: 2473.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No