Information card for entry 7006450

Structure parameters

• Common name: (OEP)Os(NO)(OEt)
• Formula: C38 H49 N5 O2 Os
• Calculated formula: C38 H49 N5 O2 Os
• Title of publication: Fiber-optic infrared reflectance spectroelectrochemical studies of osmium and ruthenium nitrosyl porphyrins containing alkoxide and thiolate ligands.
• Authors of publication: Carter, Shawn M.; Lee, Jonghyuk; Hixson, Christopher Adam; Powell, Douglas R.; Wheeler, Ralph A.; Shaw, Michael J.; Richter-Addo, George B
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 10
• Pages of publication: 1338 - 1346
• a: 8.6866 ± 0.0014 Å
• b: 10.0634 ± 0.0016 Å
• c: 11.0019 ± 0.0017 Å
• α: 86.08 ± 0.002°
• β: 77.988 ± 0.002°
• γ: 65.35 ± 0.002°
• Cell volume: 854.8 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No