Information card for entry 7025525

Structure parameters

• Formula: C8 H36 Ag2 Br2 N16 O2 S8
• Calculated formula: C8 H36 Ag2 Br2 N16 O2 S8
• SMILES: C(N)(=[S]1[Ag]([S]=C(N)N)([S](=C(N)N)[Ag]1([S]=C(N)N)[S]=C(N)N)[S]=C(N)N)N.C(=S)(N)N.O.[Br-].C(=S)(N)N.O.[Br-]
• Title of publication: Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.
• Authors of publication: Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4391 - 4404
• a: 6.2658 ± 0.0001 Å
• b: 11.0737 ± 0.0002 Å
• c: 24.9169 ± 0.0004 Å
• α: 90°
• β: 94.684 ± 0.002°
• γ: 90°
• Cell volume: 1723.1 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No