Information card for entry 7028144

Structure parameters

• Formula: C24 H54 B2 F8 Fe N2 P4
• Calculated formula: C24 H54 B2 F8 Fe N2 P4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(C)#[N][Fe]12([P](CC[P]1(CC)CC)(CC)CC)([N]#CC)[P](CC[P]2(CC)CC)(CC)CC
• 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: 17.265 ± 0.004 Å
• b: 14.858 ± 0.0005 Å
• c: 13.528 ± 0.005 Å
• α: 90°
• β: 93.414 ± 0.01°
• γ: 90°
• Cell volume: 3464.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.1934
• Weighted residual factors for significantly intense reflections: 0.1595
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No