Information card for entry 2211126

Structure parameters

• Chemical name: Tris[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]chromium(II) methanol trisolvate
• Formula: C30 H33 Cr N6 O6
• Calculated formula: C30 H33 Cr N6 O6
• SMILES: c12ccccc1c1[n]([Cr]34(O2)([n]2c(c5c(cccc5)O3)[nH]cc2)[n]2c(c3c(cccc3)O4)[nH]cc2)cc[nH]1.OC.OC.OC
• Title of publication: Tris[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]chromium(III) methanol trisolvate
• Authors of publication: He, Hong-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2886 - m2888
• a: 15.7764 ± 0.0016 Å
• b: 15.7764 Å
• c: 20.455 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4409.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes