Information card for entry 7216609

Structure parameters

• Formula: C64 H90 Mn12 O49
• Calculated formula: C64 H88 Mn12 O49
• Title of publication: Characterisation of nanoscopic [Mn12O12(O2CR)16(H2O)4] single-molecule magnets: physicochemical properties and LDI- and MALDI-TOF mass spectrometryLDI- and MALDI-TOF are acronyms for Laser Desorption/Ionisation and Matrix Assisted Laser Desorption/Ionisation Time-of-Flight.
• Authors of publication: Ruiz-Molina, Daniel; Gerbier, Philippe; Rumberger, Evan; Amabilino, David B.; Guzei, Ilia A.; Folting, Kirsten; Huffman, John C.; Rheingold, Arnold; Christou, George; Veciana, Jaume; Hendrickson, David N.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1152
• a: 21.2208 ± 0.0004 Å
• b: 21.2265 ± 0.0004 Å
• c: 42.2475 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19030.1 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.631
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No