Information card for entry 4079657

Structure parameters

• Formula: C37 H33 F12 Fe Ge N O4
• Calculated formula: C37 H33 F12 Fe Ge N O4
• SMILES: [Ge]12(OC(c3c1ccc(c3)C)(C(F)(F)F)C(F)(F)F)(OC(c1c2ccc(c1)C)(C(F)(F)F)C(F)(F)F)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[N+](C)(C)(C)Cc1ccccc1
• Title of publication: Anionic Iron Complexes with a Bond between an Ate-Type Pentacoordinated Germanium and an Iron Atom
• Authors of publication: Kano, Naokazu; Yoshinari, Naohito; Shibata, Yusuke; Miyachi, Mariko; Kawashima, Takayuki; Enomoto, Masaya; Okazawa, Atsushi; Kojima, Norimichi; Guo, Jing-Dong; Nagase, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8059
• a: 9.703 ± 0.002 Å
• b: 18.313 ± 0.005 Å
• c: 20.76 ± 0.005 Å
• α: 90°
• β: 93.267 ± 0.003°
• γ: 90°
• Cell volume: 3682.9 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No