Information card for entry 2227833

Structure parameters

• Chemical name: {2,6-Bis[(4-bromophenyl)iminomethyl]pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}trichloridochromium(III)
• Formula: C19 H13 Br2 Cl3 Cr N3
• Calculated formula: C19 H13 Br2 Cl3 Cr N3
• SMILES: [Cr]12(Cl)(Cl)(Cl)[N](c3ccc(Br)cc3)=Cc3[n]1c(ccc3)C=[N]2c1ccc(Br)cc1
• Title of publication: {2,6-Bis[(4-bromophenyl)iminomethyl]pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}trichloridochromium(III)
• Authors of publication: Li, Xiao-Ping; Liu, Yong-Yong; Zhao, Jian-She
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1215
• a: 13.722 ± 0.003 Å
• b: 10.111 ± 0.002 Å
• c: 18.905 ± 0.003 Å
• α: 90°
• β: 124.702 ± 0.012°
• γ: 90°
• Cell volume: 2156.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes