Information card for entry 4304132

Structure parameters

• Formula: C29 H27 Fe N5 O
• Calculated formula: C29 H27 Fe N5 O
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)Nc1nc(ccc1)CN(Cc1ncccc1)Cc1ncccc1
• Title of publication: Synthesis and Characterization of Novel Ferrocene-Containing Pyridylamine Ligands and Their Ruthenium(II) Complexes: Electronic Communication through Hydrogen-Bonded Amide Linkage
• Authors of publication: Takahiko Kojima; Daisuke Noguchi; Tomoko Nakayama; Yuji Inagaki; Yoshihito Shiota; Kazunari Yoshizawa; Kei Ohkubo; Shunichi Fukuzumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 886 - 895
• a: 14.3218 ± 0.001 Å
• b: 11.1188 ± 0.0007 Å
• c: 15.7468 ± 0.001 Å
• α: 90°
• β: 100.953 ± 0.004°
• γ: 90°
• Cell volume: 2461.9 ± 0.3 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No