Information card for entry 8102495

Structure parameters

• Formula: C26 H23 Cl2 F12 Fe2 N P2
• Calculated formula: C26 H23 Cl2 F12 Fe2 N P2
• Title of publication: Crystal structure of [bis(h5-cyclopentadienyl)-(h6:h6)-E-4,4'-dichlorostilbene]diiron(II) bis(hexafluorophosphate) — acetonitrile (1:1), [(C5H5)2(C14H10Cl2)Fe2][PF6]2 · CH3CN
• Authors of publication: Michael Hummel; Volker Kahlenberg; Gerhard Laus; Peter Jaitner; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 503
• a: 13.3181 ± 0.0012 Å
• b: 14.709 ± 0.0009 Å
• c: 15.3689 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3010.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No