Information card for entry 7704761

Structure parameters

• Formula: C74 H145 Fe2 Li O7 P5
• Calculated formula: C66 H125 Fe2 Li0.5 O3 P5
• Title of publication: Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study.
• Authors of publication: Kaniewska, Kinga; Ponikiewski, Łukasz; Szynkiewicz, Natalia; Cieślik, Bartłomiej; Pikies, Jerzy; Krzystek, J.; Dragulescu-Andrasi, Alina; Stoian, Sebastian A.; Grubba, Rafał
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 10091 - 10103
• a: 23.6571 ± 0.0002 Å
• b: 25.847 ± 0.0004 Å
• c: 13.2128 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8079.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No