Information card for entry 4303460

Structure parameters

• Formula: C90 H148 Cl2 Cr Mn3 N12 O23
• Calculated formula: C90 H139.5 Cl2 Cr Mn3 N12 O23
• Title of publication: Synthesis, Structure, and Magnetic Characterization of aC3-Symmetric MnIII3CrIII Assembly: Molecular Recognition Between a Trinuclear MnIII Triplesalen Complex and a fac-Triscyano CrIII Complex
• Authors of publication: Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Marty W. DeGroot; Jeffrey R. Long; Thorsten Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10165 - 10176
• a: 15.6351 ± 0.0006 Å
• b: 17.3305 ± 0.0007 Å
• c: 21.2534 ± 0.0008 Å
• α: 80.189 ± 0.001°
• β: 72.909 ± 0.001°
• γ: 89.786 ± 0.001°
• Cell volume: 5417.5 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No