Information card for entry 7048025

Structure parameters

• Formula: C82 H122 Fe2 N6 P4
• Calculated formula: C82 H122 Fe2 N6 P4
• 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: 26.075 ± 0.004 Å
• b: 10.1672 ± 0.0015 Å
• c: 28.018 ± 0.004 Å
• α: 90°
• β: 93.366 ± 0.003°
• γ: 90°
• Cell volume: 7415 ± 1.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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 all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No