Information card for entry 2211979

Structure parameters

• Chemical name: (E)-2-(Thiosemicarbazonomethyl)pyridinium trichloro[(E)-1-(2-pyridylmethylene)thiosemicarbazonato-κ^3^N,N',S]indium(III) ethanol solvate
• Formula: C16 H22 Cl3 In N8 O S2
• Calculated formula: C16 H22 Cl3 In N8 O S2
• SMILES: [In]12([N](N=C(S2)N)=Cc2[n]1cccc2)(Cl)(Cl)Cl.[nH+]1c(\C=N/NC(=S)N)cccc1.CCO
• Title of publication: (<i>E</i>)-2-(Thiosemicarbazonomethyl)pyridinium trichloro[(<i>E</i>)-1-(2-pyridylmethylene)thiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]indate(III) ethanol solvate
• Authors of publication: Fan, Ying-Ju; Wang, Le; Ma, Jian-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m261 - m262
• a: 7.906 ± 0.002 Å
• b: 12.437 ± 0.003 Å
• c: 12.68 ± 0.004 Å
• α: 78.337 ± 0.004°
• β: 84.922 ± 0.004°
• γ: 84.13 ± 0.004°
• Cell volume: 1211.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.061
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes