Information card for entry 1514815

Structure parameters

• Formula: C25 H21 Fe N3
• Calculated formula: C25 H21 Fe N3
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)c1ccc(cc1)Cn1nnc(c1)c1ccccc1
• Title of publication: On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
• Authors of publication: Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 437
• a: 11.3194 ± 0.0006 Å
• b: 5.7682 ± 0.0003 Å
• c: 14.8959 ± 0.0008 Å
• α: 90°
• β: 94.364 ± 0.004°
• γ: 90°
• Cell volume: 969.77 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No