Information card for entry 2012417

Structure parameters

• Common name: dicaesium calcium disilver thiocyanate dihydrate
• Chemical name: dicaesium calcium disilver thiocyanate dihydrate
• Formula: C6 H4 Ag2 Ca Cs2 N6 O2 S6
• Calculated formula: C6 H4 Ag2 Ca Cs2 N6 O2 S6
• SMILES: [Cs+].N#CS[Ag](SC#N)[S](C#N)[Ag](SC#N)(SC#N)SC#N.[Cs+].[Ca+2].O.O
• Title of publication: Calcium dicaesium silver thiocyanate dihydrate
• Authors of publication: Nättinen, Kalle; Günes̨, Minna; Valkonen, Jussi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: i21 - i22
• a: 7.8696 ± 0.0001 Å
• b: 19.091 ± 0.0002 Å
• c: 7.7411 ± 0.0001 Å
• α: 90°
• β: 93.338 ± 0.001°
• γ: 90°
• Cell volume: 1161.04 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No