Information card for entry 4343700

Structure parameters

• Formula: C43 H35 Co2 N5 O S4
• Calculated formula: C43 H35 Co2 N5 O S4
• SMILES: [Co]123Sc4c(C=[N]2c2cc([N]5[Co]6(Sc7c(C=5)cccc7)Sc5c(C=[N]6c6cc([N]3=Cc3c(S1)cccc3)ccc6)cccc5)ccc2)cccc4.O=CN(C)C
• Title of publication: Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.
• Authors of publication: Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7653 - 7659
• a: 16.7646 ± 0.0004 Å
• b: 13.2122 ± 0.0003 Å
• c: 33.6825 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7460.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No