Information card for entry 7116873

Structure parameters

• Formula: C34 H45 Fe N2
• Calculated formula: C34 H45 Fe N2
• SMILES: [Fe]123456(N(C=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)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: 10.1306 ± 0.0004 Å
• b: 11.1529 ± 0.0005 Å
• c: 13.6025 ± 0.0005 Å
• α: 93.475 ± 0.003°
• β: 92.686 ± 0.003°
• γ: 101.503 ± 0.004°
• Cell volume: 1500.52 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No