Information card for entry 4073201

Structure parameters

• Formula: C26.5 H28 Cl4 Cr Ir N O3
• Calculated formula: C26.5 H28 Cl4 Cr Ir N O3
• Title of publication: Stereoselective “Electrophilic” Cyclometalation of Planar-Prochiral (η6-Arene)tricarbonylchromium Complexes with Asymmetric Metal Centers: pseudo-T-4 [Cp*RhCl2]2and [Cp*IrCl2]2
• Authors of publication: Scheeren, Carla; Maasarani, Fida; Hijazi, Akram; Djukic, Jean-Pierre; Pfeffer, Michel; Zarić, Snežana D.; Le Goff, Xavier-Frédéric; Ricard, Louis
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3336
• a: 35.086 ± 0.005 Å
• b: 11.191 ± 0.005 Å
• c: 15.171 ± 0.005 Å
• α: 90°
• β: 105.962 ± 0.005°
• γ: 90°
• Cell volume: 5727 ± 3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No