Information card for entry 7024706

Structure parameters

• Formula: C42 H78 Cr4 Mn3 N12 O18 S6
• Calculated formula: C41 H78 Cr4 Mn3 N12 O18 S6
• Title of publication: Direct synthesis of an heterometallic {Mn(II)3Cr(III)4} wheel by decomposition of Reineckes salt.
• Authors of publication: Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Zybatyuk, Roman I.; Shishkin, Oleg V.; Boca, Roman; Shevchenko, Denys V.; Huang, Ping; Styring, Stenbjörn
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2344 - 2349
• a: 19.9241 ± 0.0005 Å
• b: 22.2291 ± 0.0004 Å
• c: 17.157 ± 0.0004 Å
• α: 90°
• β: 100.299 ± 0.002°
• γ: 90°
• Cell volume: 7476.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0878
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No