Information card for entry 4334820

Structure parameters

• Formula: C26 H26 F12 Fe P2 Pd Se4
• Calculated formula: C26 H26 F12 Fe P2 Pd Se4
• SMILES: [Pd]123[Se]4CCC[Se]3c3cccc5cccc([Se]1CCC[Se]2[c]12[Fe]6789%10%11%12([cH]1[cH]6[cH]7[cH]28)[c]14[cH]%12[cH]%11[cH]%10[cH]91)c35.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit
• Authors of publication: Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5786 - 5793
• a: 10.6758 ± 0.0019 Å
• b: 11.868 ± 0.002 Å
• c: 13.387 ± 0.002 Å
• α: 75.271 ± 0.003°
• β: 78.638 ± 0.003°
• γ: 83.311 ± 0.003°
• Cell volume: 1604.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No