Information card for entry 1515491

Structure parameters

• Formula: C15 H35 Cl2 Cr N4 O10
• Calculated formula: C15 H35 Cl2 Cr N4 O10
• Title of publication: Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions
• Authors of publication: Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 2057
• a: 14.215 ± 0.0004 Å
• b: 9.7664 ± 0.0003 Å
• c: 16.4588 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.96 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No