Information card for entry 4328863

Structure parameters

• Formula: C64.5 H98 Cl7 N14 O38 Tb6
• Calculated formula: C64.5 H93 Cl7 N14 O38 Tb6
• Title of publication: Magnetic Properties of Hexanuclear Lanthanide(III) Clusters Incorporating a Central μ6-Carbonate Ligand Derived from Atmospheric CO2 Fixation
• Authors of publication: Stuart K. Langley; Boujemaa Moubaraki; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3947 - 3949
• a: 16.4294 ± 0.0006 Å
• b: 17.1637 ± 0.0006 Å
• c: 18.6862 ± 0.0006 Å
• α: 94.88 ± 0.002°
• β: 110.989 ± 0.002°
• γ: 97.219 ± 0.002°
• Cell volume: 4832.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No