Information card for entry 7025524

Structure parameters

• Formula: C6 H28 Ag2 Cl2 N12 O2 S6
• Calculated formula: C6 H28 Ag2 Cl2 N12 O2 S6
• SMILES: C(N)(=[S]1[Ag]([S]=C(N)N)([S]=C(N)N)[S](=C(N)N)[Ag]1([S]=C(N)N)[S]=C(N)N)N.O.[Cl-].O.[Cl-]
• 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: 6.124 ± 0.0006 Å
• b: 9.9644 ± 0.0009 Å
• c: 11.0625 ± 0.0005 Å
• α: 99.931 ± 0.005°
• β: 92.39 ± 0.005°
• γ: 102.725 ± 0.008°
• Cell volume: 646.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No