Information card for entry 7000257

Structure parameters

• Formula: C52 H62.8 Mn4 N8 O23.4
• Calculated formula: C52 H44 Mn4 N8 O23.4
• Title of publication: A MnII4 cubane and a novel MnII10MnIII4 cluster from the use of di-2-pyridyl ketone in manganese acetate chemistry
• Authors of publication: Stoumpos, Constantinos C.; Gass, Ian A.; Milios, Constantinos J.; Lalioti, Nikolia; Terzis, Aris; Aromí, Guillem; Teat, Simon J.; Brechin, Euan K.; Perlepes, Spyros P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 307 - 317
• a: 19.151 ± 0.009 Å
• b: 15.288 ± 0.006 Å
• c: 22.763 ± 0.009 Å
• α: 90°
• β: 93.433 ± 0.014°
• γ: 90°
• Cell volume: 6653 ± 5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No