Information card for entry 7114101

Structure parameters

• Common name: Ru(OEP)CO)nitrone
• Formula: C43 H55 N5 O2 Ru
• Calculated formula: C43 H55 N5 O2 Ru
• Title of publication: Nitrones are suitable ligands for heme models: X-ray crystal structure of the first metalloporphyrin nitrone complex
• Authors of publication: Lee, Jonghyuk; Twamley, Brendan; Richter-Addo, George B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 380
• a: 8.372 ± 0.0011 Å
• b: 10.5284 ± 0.0014 Å
• c: 22.576 ± 0.003 Å
• α: 90°
• β: 92.559 ± 0.004°
• γ: 90°
• Cell volume: 1987.9 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No