Information card for entry 7039570

Structure parameters

• Chemical name: C21 H21 Fe, 1.5(C7 H8), C18 H48 Cl5 Mg3 N6
• Formula: C49.5 H81 Cl5 Fe Mg3 N6
• Calculated formula: C49.5 H81 Cl5 Fe Mg3 N6
• Title of publication: The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling.
• Authors of publication: Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15811 - 15817
• a: 15.0139 ± 0.0019 Å
• b: 18.539 ± 0.002 Å
• c: 21.231 ± 0.003 Å
• α: 90°
• β: 101.622 ± 0.004°
• γ: 90°
• Cell volume: 5788.3 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No