Information card for entry 7250968

Structure parameters

• Formula: C84 H108 Ag4 N16 O12
• Calculated formula: C84 H108 Ag4 N16 O12
• Title of publication: Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies
• Authors of publication: La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 45
• Pages of publication: 7333 - 7347
• a: 8.4006 ± 0.0007 Å
• b: 28.694 ± 0.002 Å
• c: 9.6056 ± 0.0008 Å
• α: 90°
• β: 110.131 ± 0.003°
• γ: 90°
• Cell volume: 2173.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No