Information card for entry 7000923

Structure parameters

• Formula: C7 H12 Ag N5 S3
• Calculated formula: C7 H12 Ag N5 S3
• SMILES: [Ag]([S]=C1NCCN1)([S]=C1NCCN1)SC#N
• Title of publication: 1 : 1 complexes of silver(i) thiocyanate with (substituted) thiourea ligands
• Authors of publication: Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2588 - 2598
• a: 5.7492 ± 0.0002 Å
• b: 8.8638 ± 0.0003 Å
• c: 11.7894 ± 0.0004 Å
• α: 91.307 ± 0.003°
• β: 97.162 ± 0.003°
• γ: 102.787 ± 0.003°
• Cell volume: 580.52 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No