Information card for entry 7101521

Structure parameters

• Formula: C35 H84 Co2 Cu2 Fe2 N10 O20 S4
• Calculated formula: C35 H84 Co2 Cu2 Fe2 N10 O20 S4
• Title of publication: An unprecedented heterotrimetallic Fe/Cu/Co core for mild and highly efficient catalytic oxidation of cycloalkanes by hydrogen peroxide
• Authors of publication: Nesterov, Dmytro S.; Kokozay, Volodymyr N.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Jezierska, Julia; Ozarowski, Andrew; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 4605 - 4607
• a: 8.9464 ± 0.0008 Å
• b: 10.8282 ± 0.001 Å
• c: 16.5375 ± 0.0014 Å
• α: 97.126 ± 0.007°
• β: 96.983 ± 0.007°
• γ: 103.171 ± 0.008°
• Cell volume: 1529.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No