Information card for entry 4132435

Structure parameters

• Formula: C11 H13 Cl Fe N2
• Calculated formula: C11 H13 Cl Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=[NH2+])N)[cH]1[cH]8[cH]7[cH]6[cH]51.[Cl-]
• Title of publication: pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)₃]²⁺ and Ferrocene Derivatives.
• Authors of publication: Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 32
• Pages of publication: 10169 - 10178
• a: 8.943 ± 0.005 Å
• b: 10.923 ± 0.006 Å
• c: 11.682 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1141.1 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No