Information card for entry 7006449

Structure parameters

• Formula: C38.5 H50 Cl N5 O Os S
• Calculated formula: C39 H51 Cl2 N5 O Os S
• 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: 8.2803 ± 0.001 Å
• b: 10.4219 ± 0.0013 Å
• c: 22.157 ± 0.003 Å
• α: 90°
• β: 91.823 ± 0.003°
• γ: 90°
• Cell volume: 1911.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No