Information card for entry 7048023

Structure parameters

• Formula: C39 H30 Fe N2 O P2
• Calculated formula: C39 H30 Fe N2 O P2
• Title of publication: Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.
• Authors of publication: Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 17004 - 17010
• a: 9.8699 ± 0.0009 Å
• b: 10.7795 ± 0.0013 Å
• c: 16.578 ± 0.002 Å
• α: 82.081 ± 0.011°
• β: 75.184 ± 0.001°
• γ: 65.26 ± 0.008°
• Cell volume: 1547.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No