Information card for entry 1549352

Structure parameters

• Chemical name: Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒triflate (1.2/1.8)
• Formula: C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8
• Calculated formula: C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8
• Title of publication: Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8)
• Authors of publication: Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180623
• a: 12.1395 ± 0.0006 Å
• b: 13.8587 ± 0.0007 Å
• c: 17.366 ± 0.0007 Å
• α: 85.994 ± 0.001°
• β: 80.863 ± 0.001°
• γ: 66.136 ± 0.001°
• Cell volume: 2637.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes