Information card for entry 4073326

Structure parameters

• Formula: C36 H27 Cl2 Cr N3 O7 Ru
• Calculated formula: C36 H27 Cl2 Cr N3 O7 Ru
• SMILES: [Ru]12(N3[C@@H](COC3=CC3OC[C@H]([N]1=3)c1ccccc1)c1ccccc1)([n]1ccccc1[c]13[Cr]4567([cH]1[cH]4[cH]5[cH]6[c]237)(C#[O])(C#[O])C#[O])(C#[O])C#[O].ClCCl
• 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: 10.785 ± 0.001 Å
• b: 11.946 ± 0.001 Å
• c: 26.128 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No