Information card for entry 7022147

Structure parameters

• Formula: C44 H42 Ag2 N2 P2 S2
• Calculated formula: C44 H42 Ag2 N2 P2 S2
• SMILES: [Ag]1(SC#[N][Ag](SC#[N]1)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)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: 9.3067 ± 0.0004 Å
• b: 11.2705 ± 0.0006 Å
• c: 19.6439 ± 0.001 Å
• α: 81.971 ± 0.004°
• β: 87.408 ± 0.004°
• γ: 78.2 ± 0.004°
• Cell volume: 1996.86 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No