Information card for entry 7013537

Structure parameters

• Formula: C63 H112 B2 Cr2 N14 O4
• Calculated formula: C63 H105 B2 Cr2 N14 O4
• Title of publication: A peroxochromium complex, TpiPr2Cr(O2)2, obtained by oxidative dehydrative condensation between a dihydroxochromium complex and H2O2 [TpiPr2 = hydrotris(3,5-diisopropylpyrazolyl)borato]Electronic supplementary information (ESI) available: Atomic numbering schemes. See http://www.rsc.org/suppdata/dt/b3/b309762e/
• Authors of publication: Sugawara, Ken-ichiro; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4346
• a: 15.6053 ± 0.0009 Å
• b: 16.611 ± 0.001 Å
• c: 14.3911 ± 0.0009 Å
• α: 99.328 ± 0.002°
• β: 97.619 ± 0.003°
• γ: 84.569 ± 0.005°
• Cell volume: 3638.4 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No