Information card for entry 7220109

Structure parameters

• Formula: C28 H24 Fe Se2
• Calculated formula: C28 H24 Fe Se2
• SMILES: [Se]1CC(C[Se][c]23[cH]4[Fe]56789%102([c]21[cH]5[cH]9[cH]8[cH]62)[cH]([cH]37)[cH]4%10)Cc1c2ccccc2cc2c1cccc2
• Title of publication: Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property
• Authors of publication: Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 27.419 ± 0.008 Å
• b: 6.081 ± 0.0016 Å
• c: 13.987 ± 0.004 Å
• α: 90°
• β: 107.285 ± 0.003°
• γ: 90°
• Cell volume: 2226.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No