Information card for entry 7703463

Structure parameters

• Formula: C39 H62 Fe N2 P2 Si4
• Calculated formula: C39 H62 Fe N2 P2 Si4
• Title of publication: Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.
• Authors of publication: Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2537 - 2546
• a: 12.311 ± 0.0008 Å
• b: 16.4794 ± 0.0007 Å
• c: 21.9452 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4452.2 ± 0.4 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No