Information card for entry 7003699

Structure parameters

• Formula: C20 H16 B2 Cl2 Fe2
• Calculated formula: C20 H16 B2 Cl2 Fe2
• 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: 8.1595 ± 0.0002 Å
• b: 12.9933 ± 0.0004 Å
• c: 14.0037 ± 0.0004 Å
• α: 112.665 ± 0.002°
• β: 97.722 ± 0.002°
• γ: 95.855 ± 0.002°
• Cell volume: 1338.24 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No