Information card for entry 2227771

Structure parameters

• Chemical name: Aquachlorido{2-[2-(cyclohexylcarbamothioyl-κ<i>S</i>)hydrazinylidene- κ<i>N</i>^1^]propanoato(2-)}phenyltin(IV)
• Formula: C16 H22 Cl N3 O3 S Sn
• Calculated formula: C16 H22 Cl N3 O3 S Sn
• SMILES: [Sn]12(Cl)(SC(NC3CCCCC3)=N[N]2=C(C)C(=O)O1)c1ccccc1.O
• Title of publication: Aquachlorido{2-[2-(cyclohexylcarbamothioyl-κ<i>S</i>)hydrazinylidene-κ<i>N</i>^1^]propanoato(2{-})}phenyltin(IV)
• Authors of publication: Affan, Md. Abu; Salam, Md. Abdus; Jusoh, Ismail; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1112 - m1113
• a: 16.3904 ± 0.0009 Å
• b: 19.2018 ± 0.001 Å
• c: 13.1127 ± 0.0007 Å
• α: 90°
• β: 108.442 ± 0.0007°
• γ: 90°
• Cell volume: 3915 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes