Information card for entry 7004204

Structure parameters

• Formula: C9 H18 Ag Cl N6 S3
• Calculated formula: C9 H18 Ag Cl N6 S3
• SMILES: C1(NCCN1)=[S][Ag](Cl)([S]=C1NCCN1)[S]=C1NCCN1
• Title of publication: Solvent-assisted mechanochemical synthesis of metal complexes
• Authors of publication: Bowmaker, Graham A.; Chaichit, Narongsak; Pakawatchai, Chaveng; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2926 - 2928
• a: 14.738 ± 0.0001 Å
• b: 14.738 ± 0.0001 Å
• c: 12.2965 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2313.07 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No