Information card for entry 7043605

Structure parameters

• Formula: C43 H41 Au Fe N3 O P
• Calculated formula: C43 H41 Au Fe N3 O P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N](=C1[Fe]2345(C(=N\c6c(cccc6C)C)/N1c1c(cccc1C)C)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51)C
• Title of publication: Half-sandwich iron(II) complexes with protic acyclic diaminocarbene ligands: synthesis, deprotonation and metalation reactions
• Authors of publication: Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; Garcia-Granda, Santiago
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.97 ± 0.0004 Å
• b: 11.9984 ± 0.0003 Å
• c: 23.074 ± 0.0006 Å
• α: 90°
• β: 115.888 ± 0.003°
• γ: 90°
• Cell volume: 3728.56 ± 0.19 ų
• Cell temperature: 100.2 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0714
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No