Information card for entry 1567094

Structure parameters

• Chemical name: K{crypt}[Fe(S2CNMes)(N{Dipp}TMS)2]
• Formula: C58 H99 Fe K N5 O6 S2 Si2
• Calculated formula: C58 H99 Fe K N5 O6 S2 Si2
• Title of publication: Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.
• Authors of publication: Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7907 - 7913
• a: 13.8538 ± 0.0008 Å
• b: 24.6616 ± 0.0014 Å
• c: 23.5229 ± 0.0013 Å
• α: 90°
• β: 90.755 ± 0.002°
• γ: 90°
• Cell volume: 8036.1 ± 0.8 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: 0.078
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No