Information card for entry 2011763

Structure parameters

• Formula: C27 H27 B F6 Fe N4 O0.5 P
• Calculated formula: C27 H27 B F6 Fe N4 O0.5 P
• Title of publication: Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate
• Authors of publication: Ding, Li; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 162 - 164
• a: 9.435 ± 0.001 Å
• b: 10.562 ± 0.001 Å
• c: 14.698 ± 0.001 Å
• α: 97.76 ± 0.01°
• β: 102.39 ± 0.01°
• γ: 105.37 ± 0.01°
• Cell volume: 1350.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes