Information card for entry 7117932

Structure parameters

• Formula: C72 H76 Dy2 N18 O26
• Calculated formula: C72 H76 Dy2 N18 O26
• Title of publication: Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition
• Authors of publication: Long-Fei Wang; Jiang-Zhen Qiu; Jun-Liang Liu; Yan-Cong Chen; Jian-Hua Jia; Jesus Jover; Eliseo Ruiz; Ming-Liang Tong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15358
• a: 11.039 ± 0.0003 Å
• b: 21.826 ± 0.0004 Å
• c: 16.5559 ± 0.0003 Å
• α: 90°
• β: 93.732 ± 0.001°
• γ: 90°
• Cell volume: 3980.47 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No