Information card for entry 7000003

Structure parameters

• Common name: compound 10
• Chemical name: compound 10
• Formula: C39 H32.5 B F Fe2.25 N2
• Calculated formula: C38.99 H32.49 B F Fe2.25 N2
• Title of publication: Electronic interactions in oligoferrocenes with cationic, neutral and anionic four-coordinate boron bridges.
• Authors of publication: Scheibitz, Matthias; Heilmann, Julia B.; Winter, Rainer F.; Bolte, Michael; Bats, Jan W.; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 159 - 170
• a: 9.1241 ± 0.0012 Å
• b: 29.76 ± 0.003 Å
• c: 23.503 ± 0.003 Å
• α: 90°
• β: 101.133 ± 0.01°
• γ: 90°
• Cell volume: 6261.7 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1783
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No