Information card for entry 7007447

Structure parameters

• Formula: C18 H16 N4 O2 S
• Calculated formula: C18 H16 N4 O2 S
• SMILES: n1cc(ccc1)CNC(=O)c1sc(cc1)C(=O)NCc1cnccc1
• Title of publication: Ring-opening polymerization of coordination complexes: silver(I) complexes with bis(amidopyridine) ligands derived from thiophene.
• Authors of publication: Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3886 - 3893
• a: 6.0773 ± 0.0008 Å
• b: 7.3465 ± 0.001 Å
• c: 9.7829 ± 0.0016 Å
• α: 102.253 ± 0.008°
• β: 91.961 ± 0.009°
• γ: 109.728 ± 0.008°
• Cell volume: 399.1 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No