Information card for entry 4065151

Structure parameters

• Formula: C16 H20 F12 N4 P2
• Calculated formula: C16 H20 F12 N4 P2
• SMILES: c1n(cc[n+]1c1ccc(cc1)[n+]1cn(cc1)CC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Polynuclear Architectures with Di- and Tricarbene Ligands
• Authors of publication: Rit, Arnab; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6393
• a: 8.5008 ± 0.0004 Å
• b: 12.3583 ± 0.0006 Å
• c: 10.4088 ± 0.0005 Å
• α: 90°
• β: 98.234 ± 0.001°
• γ: 90°
• Cell volume: 1082.23 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No