Information card for entry 4073321

Structure parameters

• Formula: C53 H42 Cl2 Fe N2 O2 P2 Ru
• Calculated formula: C53 H42 Cl2 Fe N2 O2 P2 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2ccccc2[c]23[c]41[Fe]1567892([cH]4[cH]1[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stereoselective Cyclometalation of Planar Pro-chiral (η6-Arene)tricarbonylchromium Complexes withOC-6-[Ru(CO)2Cl2]n
• Authors of publication: Hijazi, Akram; Djukic, Jean-Pierre; Allouche, Lionel; de Cian, André; Pfeffer, Michel; Le Goff, Xavier-Frédéric; Ricard, Louis
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4180
• a: 10.137 ± 0.001 Å
• b: 14.365 ± 0.001 Å
• c: 16.712 ± 0.001 Å
• α: 84.883 ± 0.001°
• β: 76.604 ± 0.001°
• γ: 78.399 ± 0.001°
• Cell volume: 2316.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No