Information card for entry 2234934

Structure parameters

• Chemical name: Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido- κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)
• Formula: C36 H24 Cl6 Co N9
• Calculated formula: C36 H24 Cl6 Co N9
• SMILES: c1(ccc(cc1)Cl)N1N=[N](c2ccc(cc2)Cl)[Co]231([N](c1ccc(cc1)Cl)=NN2c1ccc(cc1)Cl)[N](c1ccc(cc1)Cl)=NN3c1ccc(cc1)Cl
• Title of publication: Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido-κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III)
• Authors of publication: Yu, Gang; Zhan, Shu-Zhong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m758
• a: 19.383 ± 0.003 Å
• b: 19.383 Å
• c: 17.546 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5708.9 ± 1.1 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: 0.1085
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes