Information card for entry 4073323

Structure parameters

• Formula: C32.5 H21.5 Cr N3 O7.5 Ru
• Calculated formula: C31 H17 Cr N3 O7 Ru
• SMILES: [Ru]12([n]3c4ccccc4oc3C=c3oc4ccccc4n13)([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]
• 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: 14.161 ± 0.001 Å
• b: 13.992 ± 0.001 Å
• c: 15.274 ± 0.001 Å
• α: 90°
• β: 105.695 ± 0.001°
• γ: 90°
• Cell volume: 2913.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No