Information card for entry 4073317

Structure parameters

• Formula: C32 H23 Cl Cr N2 O9 Ru2
• Calculated formula: C32 H23 Cl Cr N2 O9 Ru2
• SMILES: [Ru]12([Cl][Ru]3([OH]1)([n]1c(c4c3cccc4)cccc1)(C#[O])C#[O])([n]1c([c]34[Cr]5678([c]23[cH]5[cH]6[cH]7[cH]48)(C#[O])(C#[O])C#[O])cccc1)(C#[O])C#[O].O=C(C)C
• 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: 16.297 ± 0.001 Å
• b: 28.842 ± 0.001 Å
• c: 13.838 ± 0.001 Å
• α: 90°
• β: 91.436 ± 0.001°
• γ: 90°
• Cell volume: 6502.3 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.2905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No