Information card for entry 4073325

Structure parameters

• Formula: C35 H25 Cr N3 O7 Ru
• Calculated formula: C35 H25 Cr N3 O7 Ru
• SMILES: [Ru]12(N3[C@@H](COC3=CC3OC[C@H]([N]1=3)c1ccccc1)c1ccccc1)([n]1ccccc1[c]13[c]42[Cr]2561([cH]3[cH]2[cH]5[cH]46)(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: 9.101 ± 0.001 Å
• b: 10.307 ± 0.001 Å
• c: 16.428 ± 0.001 Å
• α: 90°
• β: 95.1 ± 0.001°
• γ: 90°
• Cell volume: 1534.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No