Information card for entry 7048026

Structure parameters

• Formula: C44 H38 Fe N2 P2 Si
• Calculated formula: C44 H38 Fe N2 P2 Si
• 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: 9.6735 ± 0.0009 Å
• b: 12.1191 ± 0.0008 Å
• c: 17.898 ± 0.0018 Å
• α: 70.273 ± 0.016°
• β: 74.867 ± 0.016°
• γ: 67.391 ± 0.014°
• Cell volume: 1802.4 ± 0.4 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: 0.082
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No