Information card for entry 7032969

Structure parameters

• Chemical name: [Fe(NHC)(LDPM)]
• Formula: C121 H127 Fe N5 S2
• Calculated formula: C121 H127 Fe N5 S2
• Title of publication: Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.
• Authors of publication: Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1017 - 1022
• a: 18.161 ± 0.002 Å
• b: 15.2047 ± 0.0016 Å
• c: 20.041 ± 0.003 Å
• α: 90°
• β: 111.436 ± 0.0011°
• γ: 90°
• Cell volume: 5151.2 ± 1.1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No