Information card for entry 2211906

Structure parameters

• Chemical name: Dibutylchloro[4-(4-nitrophenyl)piperazine-1-carbodithioato-κ^2^S,S']tin(IV)
• Formula: C19 H30 Cl N3 O2 S2 Sn
• Calculated formula: C19 H30 Cl N3 O2 S2 Sn
• SMILES: [Sn]1(Cl)([S]=C(S1)N1CCN(c2ccc(N(=O)=O)cc2)CC1)(CCCC)CCCC
• Title of publication: Dibutylchloro[4-(4-nitrophenyl)piperazine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>']tin(IV)
• Authors of publication: Zia-ur-Rahman; Saqib Ali; Niaz Muhammed; Meetsma, Auke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m89 - m90
• a: 9.7151 ± 0.0007 Å
• b: 14.978 ± 0.001 Å
• c: 16.152 ± 0.001 Å
• α: 76.553 ± 0.001°
• β: 88.464 ± 0.001°
• γ: 87.508 ± 0.001°
• Cell volume: 2283.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.03
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes