Information card for entry 7010289

Structure parameters

• Chemical name: mu-sulphatotetrakis(triphenylphosphine)disilver(I) dihydrate
• Formula: C72 H64 Ag2 O6 P4 S
• Calculated formula: C74 H62 Ag2 O4 P4 S
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OS1(=O)=[O][Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)O1.O.O
• Title of publication: Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems
• Authors of publication: Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 20
• a: 12.4953 ± 0.0004 Å
• b: 13.3274 ± 0.0004 Å
• c: 21.7824 ± 0.0006 Å
• α: 91.191 ± 0.001°
• β: 95.306 ± 0.001°
• γ: 118.23 ± 0.001°
• Cell volume: 3173.65 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1247
• 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