Information card for entry 4341815

Structure parameters

• Formula: C48 H40 Ag Br N2 P6
• Calculated formula: C48 H40 Ag Br N2 P6
• SMILES: [Ag]1(Br)[P]2=P(c3ccccc3)(N=P([P]1=P(N=P2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.
• Authors of publication: Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141201074418004
• a: 20.931 ± 0.0009 Å
• b: 10.3138 ± 0.0004 Å
• c: 12.3702 ± 0.0005 Å
• α: 90°
• β: 124.115 ± 0.001°
• γ: 90°
• Cell volume: 2210.91 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0697
• 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