Information card for entry 4334822

Structure parameters

• Formula: C26 H26 F12 Fe P2 Pt S2 Se2
• Calculated formula: C26 H26 F12 Fe P2 Pt S2 Se2
• SMILES: [Pt]123[Se]4[c]56[Fe]789%10%11%12%13([cH]%14[cH]7[cH]8[cH]9[c]%10%14[Se]1CCC[S]3c1cccc3cccc([S]2CCC4)c13)[cH]5[cH]%11[cH]%12[cH]6%13.[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: 10.549 ± 0.007 Å
• b: 11.809 ± 0.008 Å
• c: 13.322 ± 0.009 Å
• α: 75.32 ± 0.008°
• β: 78.846 ± 0.008°
• γ: 82.675 ± 0.008°
• Cell volume: 1569.7 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1027
• 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