Information card for entry 7028145

Structure parameters

• Formula: C38 H66 B2 F8 Fe N2 O2 P4
• Calculated formula: C38 H66 B2 F8 Fe N2 O2 P4
• Title of publication: Syntheses, properties and Mössbauer studies of mono- and di-nitrile phosphine complexes of iron(II). Crystal structures of trans-[Fe(NCR)2(Et2PCH2CH2PEt2)2][BF4]2 (R = Me or CH2C6H4OMe-4) †
• Authors of publication: Martins, Luísa M. D. R. S.; Duarte, M. Teresa; Galvão, Adelino M.; Resende, Catarina; Pombeiro, Armando J. L.; Henderson, Richard A.; Evans, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 19
• Pages of publication: 3311
• a: 15.732 ± 0.002 Å
• b: 17.723 ± 0.002 Å
• c: 16.723 ± 0.003 Å
• α: 90°
• β: 96.33 ± 0.01°
• γ: 90°
• Cell volume: 4634.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.3135
• Residual factor for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections: 0.4743
• Weighted residual factors for significantly intense reflections: 0.2975
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.293
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No