Information card for entry 4324700

Structure parameters

• Formula: C72 H48 As8 Co2 N12 Se14
• Calculated formula: C72 H48 As8 Co2 N12 Se14
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Co]124([n]3cccc4ccc5c([n]1ccc5)c34)[n]1cccc3c1c1[n]2cccc1cc3.[As]1([Se-])[Se][As]2[Se][As]([Se][As]([Se][As]3[Se][As]([Se]1)[Se][As]([Se]3)[Se-])[Se-])[Se][As]([Se]2)[Se-].c1ccc2ccc3ccc[n]4c3c2[n]1[Co]124([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: Novel Polyselenidoarsenate and Selenidoarsenate: Solvothermal Synthesis and Characterization of [Co(phen)3][As2Se2(μ-Se3)(μ-Se5)] and [Co(phen)3]2[As8Se14]
• Authors of publication: Jing Zhao; Jingjing Liang; Jiangfang Chen; Yingli Pan; Yong Zhang; Dingxian Jia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2288 - 2293
• a: 10.3519 ± 0.0005 Å
• b: 12.7439 ± 0.0004 Å
• c: 17.474 ± 0.0012 Å
• α: 76.602 ± 0.006°
• β: 88.032 ± 0.007°
• γ: 66.677 ± 0.005°
• Cell volume: 2055 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No