Information card for entry 7116875

Structure parameters

• Formula: C43 H69 Fe K0.5 N2 O4 P2
• Calculated formula: C43 H69 Fe K0.5 N2 O4 P2
• Title of publication: Reductive cleavage of P4 by iron(I) centres: synthesis and structural characterisation of Fe2(P2)2 complexes with two bridging P22- ligands
• Authors of publication: Shenglai Yao; Tibor Szilvasi; Nils Lindenmaier; Yun Xiong; Shigeyoshi Inoue; Mario Adelhardt; Jorg Sutter; Karsten Meyer; Matthias Driess
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6153
• a: 13.2205 ± 0.0001 Å
• b: 18.4486 ± 0.0001 Å
• c: 18.4434 ± 0.0001 Å
• α: 90°
• β: 90.303 ± 0.001°
• γ: 90°
• Cell volume: 4498.28 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No