Information card for entry 7711026

Structure parameters

• Common name: MAM-330
• Formula: C11 H9 N3 S
• Calculated formula: C11 H9 N3 S
• Title of publication: First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof
• Authors of publication: Ruiz, Javier; Mateo, María A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.3905 ± 0.0002 Å
• b: 11.4798 ± 0.0002 Å
• c: 14.2875 ± 0.0003 Å
• α: 90°
• β: 93.835 ± 0.0009°
• γ: 90°
• Cell volume: 2027.71 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No