Information card for entry 4343372

Structure parameters

• Formula: C39 H48 Cl Co Fe N4 S
• Calculated formula: C39 H48 Cl Co Fe N4 S
• SMILES: [Co]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5(C)[c]6(C)[c]7(C)[c]81C)C.[Fe]123(Sc4ccc(Cl)cc4)n4cccc4C=[N]1CCC[N]2=Cc1n3ccc1
• 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: 10.495 ± 0.01 Å
• b: 15.692 ± 0.015 Å
• c: 22.76 ± 0.02 Å
• α: 90°
• β: 102.605 ± 0.012°
• γ: 90°
• Cell volume: 3658 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No