Information card for entry 2211544

Structure parameters

• Chemical name: Chlorodiethyl[4-(4-nitrophenyl)piperazine-1-carbodithioato]tin(IV)
• Formula: C15 H22 Cl N3 O2 S2 Sn
• Calculated formula: C15 H22 Cl N3 O2 S2 Sn
• SMILES: [Sn]1(Cl)(SC(=[S]1)N1CCN(c2ccc(N(=O)=O)cc2)CC1)(CC)CC
• Title of publication: Chlorodiethyl[4-(4-nitrophenyl)piperazine-1-carbodithioato]tin(IV)
• Authors of publication: Zia-ur-Rahman; Saqib Ali; Niaz Muhammad; Meetsma, Auke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3560 - m3561
• a: 14.1638 ± 0.0009 Å
• b: 10.5851 ± 0.0007 Å
• c: 14.0247 ± 0.0009 Å
• α: 90°
• β: 115.799 ± 0.001°
• γ: 90°
• Cell volume: 1893.1 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0267
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes