Information card for entry 4344394

Structure parameters

• Formula: C44 H60 Cr2 Er2 N4 O22
• Calculated formula: C44 H60 Cr2 Er2 N4 O22
• Title of publication: A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.
• Authors of publication: Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10497 - 10503
• a: 12.6681 ± 0.0004 Å
• b: 11.6507 ± 0.0004 Å
• c: 19.8972 ± 0.0006 Å
• α: 90°
• β: 104.224 ± 0.002°
• γ: 90°
• Cell volume: 2846.64 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No