Information card for entry 1562280

Structure parameters

• Formula: C24 H16 Fe N4 Se4
• Calculated formula: C24 H16 Fe N4 Se4
• SMILES: [Fe]123([Se][Se][Se][Se]1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide
• Authors of publication: Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 218
• Pages of publication: 109 - 115
• a: 9.499 ± 0.003 Å
• b: 10.558 ± 0.004 Å
• c: 13.297 ± 0.006 Å
• α: 88.172 ± 0.016°
• β: 81.962 ± 0.014°
• γ: 67.315 ± 0.012°
• Cell volume: 1218 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No