Information card for entry 7026365

Structure parameters

• Formula: C19 H26 Cu F6 Fe P Se4
• Calculated formula: C19 H26 Cu F6 Fe P Se4
• SMILES: [Se]12[Cu]34[Se](CCC2)CCC[Se]3CCC[Se]4[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[c]1%102.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,5,9,13-Tetraselena[13]ferrocenophane: synthesis, complexation, crystallographic and electrochemical study.
• Authors of publication: Jing, Su; Morley, Christopher P.; Gu, Cheng-Yun; Di Vaira, Massimo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8812 - 8819
• a: 19.221 ± 0.004 Å
• b: 10.995 ± 0.002 Å
• c: 12.001 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2536.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No