Information card for entry 7116874

Structure parameters

• Formula: C54 H74 Fe2 N4 P4
• Calculated formula: C54 H74 Fe2 N4 P4
• SMILES: C1=CC=[N]([Fe]2345(N1c1c(C(C)C)cccc1C(C)C)[P]1=[P]2[Fe]2651([N](=CC=CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P]3=[P]46)c1c(cccc1C(C)C)C(C)C
• 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: 14.4521 ± 0.0008 Å
• b: 12.9461 ± 0.0006 Å
• c: 14.8567 ± 0.0008 Å
• α: 90°
• β: 105.421 ± 0.006°
• γ: 90°
• Cell volume: 2679.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No