Information card for entry 7107486

Structure parameters

• Formula: C58 H56 Fe2 O2 P4 S4
• Calculated formula: C50 H40 Fe2 P4 S4
• SMILES: C123P(c4ccccc4)(c4ccccc4)=[S][Fe]452[Fe]2673(P1(=[S]2)(c1ccccc1)c1ccccc1)C4(P(c1ccccc1)(c1ccccc1)=[S]5)P6(=[S]7)(c1ccccc1)c1ccccc1
• Title of publication: Transmetalation of Nucleophilic Carbene Fragment: from Early to Late Transition Metals
• Authors of publication: Marie Fustier-Boutignon; Hadrien Heuclin; Xavier Frederic Le Goff; Nicolas Mezailles
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3306 - 3308
• a: 16.98 ± 0.001 Å
• b: 16.98 ± 0.001 Å
• c: 19.74 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5691.4 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No