Information card for entry 4317630

Structure parameters

• Formula: C53 H44 Ag N2 O2.5 P2
• Calculated formula: C53 H43 Ag N2 O2.5 P2
• SMILES: [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(c2c(nn(c3ccccc3)c2O1)C)c1ccccc1.O
• Title of publication: First Structurally Characterized Silver(I) Derivatives with Nonfluorinated β-Diketones
• Authors of publication: Augusto Cingolani; Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1151 - 1161
• a: 16.193 ± 0.008 Å
• b: 13.859 ± 0.007 Å
• c: 39.306 ± 0.007 Å
• α: 90°
• β: 100.02 ± 0.03°
• γ: 90°
• Cell volume: 8686 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections: 1.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No