Information card for entry 7048021

Structure parameters

• Formula: C40 H34 Fe N3 O P2
• Calculated formula: C40 H34 Fe N3 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: 9.785 ± 0.002 Å
• b: 12.336 ± 0.002 Å
• c: 14.142 ± 0.003 Å
• α: 92.154 ± 0.004°
• β: 103.057 ± 0.005°
• γ: 101.48 ± 0.005°
• Cell volume: 1623.5 ± 0.5 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: 0.0795
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No