Information card for entry 4073324

Structure parameters

• Formula: C32 H21 Fe N3 O4 Ru
• Calculated formula: C32 H21 Fe N3 O4 Ru
• SMILES: [Ru]12([n]3c4ccccc4oc3C=c3oc4ccccc4n13)([n]1ccccc1[c]13[Fe]456789%10([cH]1[cH]4[cH]5[c]236)[cH]1[cH]%10[cH]9[cH]8[cH]71)(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: 13.137 ± 0.001 Å
• b: 11.616 ± 0.001 Å
• c: 17.177 ± 0.001 Å
• α: 90°
• β: 92.078 ± 0.001°
• γ: 90°
• Cell volume: 2619.5 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No