Information card for entry 2210937

Structure parameters

• Chemical name: chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato- κ^2^N^3^,S)dimethyltin(IV)‒4-ethyl-1-isopropylidene-3-thiosemicarbazone (1/1)
• Formula: C14 H31 Cl N6 S2 Sn
• Calculated formula: C14 H31 Cl N6 S2 Sn
• SMILES: [Sn]1(Cl)(SC(=N[N]1=C(C)C)NCC)(C)C.S=C(NN=C(C)C)NCC
• Title of publication: A 1:1 cocrystal of chloro(4-ethyl-1-isopropylidene-3-thiosemicarbazidato-κ^2^<i>N</i>^3^,<i>S</i>)dimethyltin(IV) and 4-ethyl-1-isopropylidene-3-thiosemicarbazone
• Authors of publication: Swesi, Abdurazag T.; Farina, Yang; Venkatraman, Ramaiyer; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3020 - m3021
• a: 25.488 ± 0.003 Å
• b: 7.8171 ± 0.0007 Å
• c: 25.693 ± 0.003 Å
• α: 90°
• β: 116.904 ± 0.001°
• γ: 90°
• Cell volume: 4565.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes