Information card for entry 7703462

Structure parameters

• Formula: C42 H69 Fe N2 P2 Si4
• Calculated formula: C42 H69 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: 11.215 ± 0.001 Å
• b: 13.123 ± 0.001 Å
• c: 16.998 ± 0.001 Å
• α: 88.64 ± 0.01°
• β: 83.8 ± 0.01°
• γ: 71.76 ± 0.01°
• Cell volume: 2361.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No