Information card for entry 4348653

Structure parameters

• Common name: LFeCoCl
• Formula: C44 H72 Cl Co Fe N4 P3
• Calculated formula: C44 H72 Cl Co Fe N4 P3
• SMILES: [Fe]1234[Co]56(Cl)[P](CN1c1c([N]4(c4ccccc4N2C[P]5(C(C)C)C(C)C)c2ccccc2N3C[P]6(C(C)C)C(C)C)cccc1)(C(C)C)C(C)C.CCCCC
• 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: 11.85 ± 0.0007 Å
• b: 16.2123 ± 0.001 Å
• c: 23.9996 ± 0.0014 Å
• α: 90°
• β: 101.475 ± 0.001°
• γ: 90°
• Cell volume: 4518.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No