Information card for entry 7018912

Structure parameters

• Formula: C44 H43 Ag O8 P2
• Calculated formula: C44 H43 Ag O8 P2
• SMILES: [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)CC(O)(C(=O)O)CC(=O)O.OCC
• Title of publication: Mechanochemical and solution synthesis, and crystal structures and IR and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(i) mono- and di-hydrogencitrate systems.
• Authors of publication: Bowmaker, Graham A.; Hanna, John V.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5409 - 5417
• a: 12.2314 ± 0.0005 Å
• b: 12.8542 ± 0.0005 Å
• c: 14.451 ± 0.0004 Å
• α: 82.679 ± 0.002°
• β: 87.727 ± 0.003°
• γ: 64.362 ± 0.004°
• Cell volume: 2031.36 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No