Information card for entry 7046455

Structure parameters

• Formula: C60 H44 Ag4 F12 N12 O12 S4
• Calculated formula: C60 H44 Ag4 F12 N12 O12 S4
• Title of publication: Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.
• Authors of publication: Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 7992 - 8002
• a: 11.6056 ± 0.0011 Å
• b: 11.9727 ± 0.0012 Å
• c: 25.294 ± 0.002 Å
• α: 99.526 ± 0.004°
• β: 92.15 ± 0.003°
• γ: 105.03 ± 0.003°
• Cell volume: 3335.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No