Information card for entry 7125836

Structure parameters

• Formula: C58 H98 Fe K N2 O8 P2 Si4
• Calculated formula: C58 H98 Fe K N2 O8 P2 Si4
• 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: 12.5633 ± 0.0005 Å
• b: 35.5283 ± 0.0014 Å
• c: 15.3551 ± 0.0007 Å
• α: 90°
• β: 99.326 ± 0.002°
• γ: 90°
• Cell volume: 6763.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0511
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No