Information card for entry 7125835

Structure parameters

• Formula: C56 H82.48 Fe K N O8 P2 Si2
• Calculated formula: C56 H82.48 Fe K N O8 P2 Si2
• Title of publication: The ambiguous behaviour of diphosphines towards the quasilinear iron(i) complex [Fe(N(SiMe₃)₂)₂]^- - between inertness, P-C bond cleavage and C-C double bond isomerisation.
• Authors of publication: Werncke, Christian Gunnar; Müller, Igor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2268 - 2271
• a: 13.1704 ± 0.0006 Å
• b: 15.3361 ± 0.0007 Å
• c: 15.4398 ± 0.0007 Å
• α: 97.045 ± 0.002°
• β: 103.248 ± 0.002°
• γ: 95.214 ± 0.002°
• Cell volume: 2989.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0453
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No