Information card for entry 7000612

Structure parameters

• Common name: Diammonium hydrogenamidotrithiosilicate-ammonia(2)
• Chemical name: Diammonium hydrogenamidotrithiosilicate-ammonia(2)
• Formula: H17 N5 S3 Si
• Calculated formula: H17 N5 S3 Si
• SMILES: [S-][Si]([S-])([S-])[NH3+].[NH4+].N.[NH4+].N
• Title of publication: The first thiosilicate from solution: synthesis and crystal structure of (NH4)2[SiS3(NH3)]·2NH3
• Authors of publication: Meier, Martin; Korber, Nikolaus
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1506 - 1508
• a: 6.3474 ± 0.0013 Å
• b: 6.573 ± 0.0013 Å
• c: 13.055 ± 0.003 Å
• α: 97.32 ± 0.03°
• β: 91.37 ± 0.03°
• γ: 94.13 ± 0.03°
• Cell volume: 538.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No