Information card for entry 7711029

Structure parameters

• Common name: MAM610
• Formula: C44 H40 Cu F30 N12 P5
• Calculated formula: C44 H40 Cu F30 N12 P5
• 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: 17.3914 ± 0.001 Å
• b: 29.6294 ± 0.0016 Å
• c: 11.5114 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5931.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No