Information card for entry 4129094

Structure parameters

• Formula: C22 H15 Ag Cl N2 O7 P
• Calculated formula: C22 H15 Ag Cl N2 O7 P
• SMILES: c12c3cccc1Oc1c4[P]2([Ag]([N]#CC)[N]#CC)c2c(O3)cccc2Oc4ccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Building Large Structures with Curved Aromatic Surfaces by Complexing Metals with Phosphangulene.
• Authors of publication: Heskia, Alice; Maris, Thierry; Aguiar, Pedro M.; Wuest, James D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.6233 ± 0.0003 Å
• b: 9.8147 ± 0.0003 Å
• c: 13.9858 ± 0.0005 Å
• α: 73.587 ± 0.002°
• β: 75.133 ± 0.002°
• γ: 86.914 ± 0.002°
• Cell volume: 1097.22 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0742
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No