Information card for entry 7003701

Structure parameters

• Formula: C32 H16 B2 F10 Fe2
• Calculated formula: C32 H16 B2 F10 Fe2
• SMILES: [cH]12[cH]3[Fe]4567892([cH]1[c]14B([c]24[cH]%10[cH]%11[cH]%12[c]2(B([c]371)c1c(F)c(F)c(F)c(F)c1F)[Fe]12374%10%11%12[cH]4[cH]1[cH]2[cH]3[cH]74)c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]5[cH]8[cH]9[cH]61
• Title of publication: Tuning the electronic structure of diboradiferrocenes
• Authors of publication: Venkatasubbaiah, Krishnan; Pakkirisamy, Thilagar; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4507 - 4513
• a: 23.7946 ± 0.0002 Å
• b: 7.0879 ± 0.0001 Å
• c: 18.037 ± 0.0002 Å
• α: 90°
• β: 119.329 ± 0.002°
• γ: 90°
• Cell volume: 2652.09 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No