Information card for entry 2212608

Structure parameters

• Chemical name: Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato- κ^3^N,N',S}indium(III)
• Formula: C10 H15 Cl2 In N4 O S
• Calculated formula: C10 H15 Cl2 In N4 O S
• SMILES: [In]12([N](N=C(S2)N)=C(c2[n]1cccc2)C)(Cl)(Cl)[OH]CC
• Title of publication: Dichloro(ethanol-κ<i>O</i>){(<i>E</i>)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>}indium(III)
• Authors of publication: Fan, Ying-Ju; Wang, Le; Ma, Jian-Ping; Sun, Zhong-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m845 - m846
• a: 7.1651 ± 0.0012 Å
• b: 13.331 ± 0.002 Å
• c: 16.269 ± 0.003 Å
• α: 90°
• β: 101.012 ± 0.002°
• γ: 90°
• Cell volume: 1525.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• 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