Information card for entry 4077546

Structure parameters

• Formula: C28 H28 Cl2 Fe Pt S2
• Calculated formula: C28 H28 Cl2 Fe Pt S2
• SMILES: [S]12c3c(C[Pt]41(Cl)([S](c1c(C4)cc(cc1C)C)[c]14[Fe]56789%10%11([cH]%12[cH]5[cH]6[cH]7[c]28%12)[cH]1[cH]9[cH]%10[cH]4%11)Cl)cc(cc3C)C
• Title of publication: Hang-gliding with Ferrocenes: Unusual Coordination Chemistry of 1,1‘-Bis(mesitylthio)ferrocene
• Authors of publication: Gibson, Vernon C.; Long, Nicholas J.; White, Andrew J. P.; Williams, Charlotte K.; Williams, David J.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4425
• a: 12.4923 ± 0.0008 Å
• b: 20.6369 ± 0.001 Å
• c: 10.0889 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2600.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0734
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No