Information card for entry 7022139

Structure parameters

• Formula: C75 H62 Ag4 N8 O P4 S4
• Calculated formula: C75 H62 Ag4 N8 O P4 S4
• SMILES: [Ag]12([P](c3ncccc3)(c3ccccc3)c3ccccc3)[N]#C[S]3[Ag]4([P](c5ccccn5)(c5ccccc5)c5ccccc5)[S]5[Ag]3([P](c3ccccc3)(c3ccccn3)c3ccccc3)[N]#C[S]2[Ag]([P](c2ccccc2)(c2ncccc2)c2ccccc2)([N]#C5)[S]1C#[N]4.CC(=O)C
• Title of publication: Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.
• Authors of publication: Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 277 - 291
• a: 16.93 ± 0.005 Å
• b: 18.45 ± 0.005 Å
• c: 23.853 ± 0.005 Å
• α: 90°
• β: 105.522 ± 0.005°
• γ: 90°
• Cell volume: 7179 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No