Information card for entry 4079656

Structure parameters

• Formula: C39 H41 F12 Fe Ge Na O7
• Calculated formula: C39 H41 F12 Fe Ge Na O7
• SMILES: [Ge]123([Fe]4567(C#[O][Na]89([F]C(C(c%10c1ccc(c%10)C)(C(F)(F)[F]8)[O]29)(F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41)c1ccc(cc1C(O3)(C(F)(F)F)C(F)(F)F)C
• 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: 9.547 ± 0.01 Å
• b: 11.309 ± 0.013 Å
• c: 20.59 ± 0.02 Å
• α: 79.17 ± 0.07°
• β: 76.9 ± 0.07°
• γ: 77.94 ± 0.07°
• Cell volume: 2094 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No