Information card for entry 7032268

Structure parameters

• Formula: C52 H36 Cl2 Fe4
• Calculated formula: C52 H36 Cl2 Fe4
• SMILES: c1(c(c(c(c(c1C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cl)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cl)C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: 1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.
• Authors of publication: Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16310 - 16321
• a: 12.8015 ± 0.0006 Å
• b: 32.736 ± 0.003 Å
• c: 18.6516 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7816.3 ± 0.9 ų
• Cell temperature: 109.9 ± 0.2 K
• Ambient diffraction temperature: 109.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.1591
• Weighted residual factors for significantly intense reflections: 0.3167
• Weighted residual factors for all reflections included in the refinement: 0.3215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No