Information card for entry 7220108

Structure parameters

• Formula: C79 H76 Cl2 Cu4 Fe4 I4 N2 Se4
• Calculated formula: C79 H76 Cl2 Cu4 Fe4 I4 N2 Se4
• 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: 18.6299 ± 0.001 Å
• b: 15.4647 ± 0.0008 Å
• c: 32.7558 ± 0.0014 Å
• α: 90°
• β: 120.177 ± 0.002°
• γ: 90°
• Cell volume: 8158.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No