Information card for entry 7039679

Structure parameters

• Formula: C91 H112 Ag Cl2 F9 N5 O10.5 P2 S3
• Calculated formula: C90.9996 H111.999 Ag Cl2 F9 N5 O10.4999 P2 S3
• Title of publication: Cationic 5-phosphonio-substituted N-heterocyclic carbenes.
• Authors of publication: Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11384 - 11396
• a: 17.14476 ± 0.00019 Å
• b: 17.1735 ± 0.0003 Å
• c: 18.09533 ± 0.00013 Å
• α: 98.7772 ± 0.0011°
• β: 101.643 ± 0.0008°
• γ: 97.9382 ± 0.0012°
• Cell volume: 5078.05 ± 0.12 ų
• Cell temperature: 100.1 ± 0.3 K
• Ambient diffraction temperature: 100.1 ± 0.3 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No