Information card for entry 4343371

Structure parameters

• Formula: C16 H19 Cl Co0.5 Fe N2 O2 S
• Calculated formula: C16 H19 Cl Co0.5 Fe N2 O2 S
• Title of publication: Overview and New Insights into the Thiol Reactivity of Coordinated NO in {MNO}(6/7/8) (M = Fe, Co) Complexes.
• Authors of publication: Rhine, Melody A.; Sanders, Brian C.; Patra, Ashis K.; Harrop, Todd C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9351 - 9366
• a: 11.4653 ± 0.0009 Å
• b: 9.9427 ± 0.0008 Å
• c: 16.2307 ± 0.0013 Å
• α: 90°
• β: 92.069 ± 0.001°
• γ: 90°
• Cell volume: 1849 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No