Information card for entry 4342801

Structure parameters

• Formula: C154 H282 Fe6 N12 O6 P12
• Calculated formula: C154 H282 Fe6 N12 O6 P12
• Title of publication: Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.
• Authors of publication: Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4526 - 4538
• a: 13.813 ± 0.003 Å
• b: 18.712 ± 0.004 Å
• c: 19.527 ± 0.004 Å
• α: 107.14 ± 0.03°
• β: 102.73 ± 0.03°
• γ: 109.86 ± 0.03°
• Cell volume: 4238 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No