Information card for entry 7027131

Structure parameters

• Formula: C72 H69 B Fe N2 O2 P4
• Calculated formula: C72 H64 B Fe N1.5 O2 P4
• Title of publication: Reactions of a cyanosilane with an iron(II) centre. Synthesis and crystal structure of the isocyanotriphenylborate complex trans-[FeH(CNBPh3)(Ph2PCH2CH2PPh2)2] and anodic deprotonation of the hydrogen isocyanide (CNH) analogue
• Authors of publication: Almeida, Sílvia S. P. R.; da Silva, M. Fátima C. Guedes; Fraústoda Silva, João J. R.; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 467
• a: 13.685 ± 0.003 Å
• b: 13.746 ± 0.003 Å
• c: 19.616 ± 0.004 Å
• α: 109.1 ± 0.02°
• β: 102.78 ± 0.02°
• γ: 63.49 ± 0.02°
• Cell volume: 3107.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.1111
• Goodness-of-fit parameter for all reflections: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No