Information card for entry 1514814

Structure parameters

• Formula: C26 H18 Fe
• Calculated formula: C26 H18 Fe
• 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)C#CC#Cc1ccccc1
• 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: 7.1257 ± 0.0006 Å
• b: 9.7812 ± 0.0009 Å
• c: 14.6087 ± 0.0013 Å
• α: 74.587 ± 0.001°
• β: 81.231 ± 0.001°
• γ: 70.49 ± 0.001°
• Cell volume: 922.94 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0821
• 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