Information card for entry 7203468

Structure parameters

• Formula: C161.63 H147.88 Li Mn12 N9.13 O50.38 P4
• Calculated formula: C161.625 H147.875 Li Mn12 N9.125 O50.375 P4
• Title of publication: Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters
• Authors of publication: Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2576
• a: 25.261 ± 0.016 Å
• b: 25.341 ± 0.016 Å
• c: 28.763 ± 0.017 Å
• α: 71.536 ± 0.013°
• β: 80.221 ± 0.012°
• γ: 83.453 ± 0.012°
• Cell volume: 17175 ± 18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1483
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No