Information card for entry 7030441

Structure parameters

• Formula: C27 H29 N5
• Calculated formula: C27 H29 N5
• Title of publication: Reinvestigation of the formation of a mononuclear Fe(III) hydroperoxido complex using high pressure kinetics.
• Authors of publication: Nebe, Thomas; Beitat, Alexander; Würtele, Christian; Dücker-Benfer, Carlos; van Eldik, Rudi; McKenzie, Christine J.; Schindler, Siegfried
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7768 - 7773
• a: 26.242 ± 0.005 Å
• b: 6.2333 ± 0.0012 Å
• c: 17.286 ± 0.004 Å
• α: 90°
• β: 123.39 ± 0.03°
• γ: 90°
• Cell volume: 2360.8 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No