Information card for entry 7000219

Structure parameters

• Formula: C20 H24 Mn N8 S2
• Calculated formula: C20 H24 Mn N8 S2
• SMILES: [Mn]123([n]4ccccc4[C@H]4NCC[N]14CC[N]12CCN[C@@H]1c1cccc[n]31)(N=C=S)N=C=S.[Mn]123([n]4ccccc4[C@@H]4NCC[N]14CC[N]12CCN[C@H]1c1cccc[n]31)(N=C=S)N=C=S
• Title of publication: Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine
• Authors of publication: Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 126 - 133
• a: 15.4649 ± 0.0008 Å
• b: 17.7127 ± 0.001 Å
• c: 16.6848 ± 0.001 Å
• α: 90°
• β: 90.373 ± 0.001°
• γ: 90°
• Cell volume: 4570.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No