Information card for entry 7116489

Structure parameters

• Common name: 4
• Chemical name: (N,N,N-tris(2-pyridylmethyl)ethylenediamine-N-acetate)chromium(IV)peroxo diperhlorate
• Formula: C22 H33 Cl2 Cr N5 O19
• Calculated formula: C22 H31 Cl2 Cr N5 O19
• Title of publication: Caught! Crystal trapping of a side-on peroxo bound to Cr(iv).
• Authors of publication: de Sousa, David P.; Bigelow, Jennifer O.; Sundberg, Jonas; Que, Lawrence; McKenzie, Christine J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2802
• a: 15.236 ± 0.0016 Å
• b: 14.7664 ± 0.0016 Å
• c: 16.0081 ± 0.0017 Å
• α: 90°
• β: 118.237 ± 0.005°
• γ: 90°
• Cell volume: 3172.9 ± 0.6 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2841
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No