Information card for entry 7107461

Structure parameters

• Formula: C97 H81 Cl7 Dy N12 O4
• Calculated formula: C97 H81 Cl7 Dy N12 O4
• Title of publication: Twist angle perturbation on mixed (phthalocyaninato)(porphyrinato) dysprosium(III) double-decker SMMs
• Authors of publication: Hailong Wang; Kang Wang; Jun Tao; Jianzhuang Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2973
• a: 14.068 ± 0.0005 Å
• b: 17.6605 ± 0.0007 Å
• c: 18.6659 ± 0.0007 Å
• α: 112.931 ± 0.004°
• β: 96.166 ± 0.003°
• γ: 97.426 ± 0.003°
• Cell volume: 4171.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No