Information card for entry 4073327

Structure parameters

• Formula: C36 H29 Fe N3 O4 Ru
• Calculated formula: C36 H29 Fe N3 O4 Ru
• SMILES: [Ru]12([N]3[C@@H](COC=3C=C3OC[C@H](N13)c1ccccc1)c1ccccc1)([n]1ccccc1[c]13[c]42[Fe]2567891([cH]3[cH]2[cH]45)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])C#[O]
• 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: 9.6 ± 0.001 Å
• b: 13.46 ± 0.001 Å
• c: 23.374 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No