Information card for entry 7000004

Structure parameters

• Common name: (11)PF6
• Formula: C30 H26 B F6 Fe2 N2 P
• Calculated formula: C30 H26 B F6 Fe2 N2 P
• 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: 12.1586 ± 0.0014 Å
• b: 21.716 ± 0.004 Å
• c: 15.4748 ± 0.0015 Å
• α: 90°
• β: 108.429 ± 0.011°
• γ: 90°
• Cell volume: 3876.4 ± 1 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 7
• 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: 0.209
• Residual factor for significantly intense reflections: 0.1537
• Weighted residual factors for significantly intense reflections: 0.4018
• Weighted residual factors for all reflections included in the refinement: 0.4156
• Goodness-of-fit parameter for all reflections included in the refinement: 2.36
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No