Information card for entry 4304131

Structure parameters

• Formula: C31 H33 Cl F6 Fe N5 O2 P Ru S
• Calculated formula: C31 H33 Cl F6 Fe N5 O2 P Ru S
• SMILES: [Ru]123(Cl)([S](=O)(C)C)[N](Cc4[n]1c(NC(=O)[c]15[cH]6[Fe]789%10%11%121([cH]1[cH]7[cH]8[cH]9[cH]%101)[cH]6[cH]%11[cH]5%12)ccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.8071 ± 0.0007 Å
• b: 12.2123 ± 0.0005 Å
• c: 21.5373 ± 0.0012 Å
• α: 90°
• β: 98.431 ± 0.003°
• γ: 90°
• Cell volume: 3332.1 ± 0.3 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No