Information card for entry 2215071

Structure parameters

• Chemical name: 2-(2-Hydroxy-1-naphthyldiazenyl)pyridinium [1-(2-pyridyldiazenyl)-2-naphtholato-κ^3^N,N',O]tris(thiocyanato- κ<i>N</i>)chromium(III) methanol solvate
• Formula: C34 H26 Cr N9 O3 S3
• Calculated formula: C34 H26 Cr N9 O3 S3
• SMILES: [Cr]12([N](c3c(ccc4ccccc34)O2)=Nc2cccc[n]12)(N=C=S)(N=C=S)N=C=S.c1(c(ccc2ccccc12)O)\N=N/c1cccc[nH+]1.CO
• Title of publication: 2-(2-Hydroxy-1-naphthyldiazenyl)pyridinium [1-(2-pyridyldiazenyl)-2-naphtholato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]tris(thiocyanato-κ<i>N</i>)chromium(III) methanol solvate
• Authors of publication: Liu, Tian-Fu; Lv, Hong-Yan; Zhao, Bang-Tun; Wang, Jian-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2406 - m2406
• a: 11.5045 ± 0.0011 Å
• b: 12.3189 ± 0.0011 Å
• c: 12.5197 ± 0.0012 Å
• α: 95.568 ± 0.002°
• β: 91.851 ± 0.002°
• γ: 96.973 ± 0.002°
• Cell volume: 1751.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1813
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes