Information card for entry 4348652

Structure parameters

• Common name: LFe2
• Formula: C39 H60 Fe2 N4 P3
• Calculated formula: C39 H60 Fe2 N4 P3
• SMILES: C1N2[Fe]345[Fe]6([P]1(C(C)C)C(C)C)[P](CN4c1c(cccc1)[N]3(c1ccccc21)c1ccccc1N5C[P]6(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.
• Authors of publication: Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9725 - 9735
• a: 15.8611 ± 0.0016 Å
• b: 15.8611 ± 0.0016 Å
• c: 11.7814 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2566.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No