Information card for entry 7107460

Structure parameters

• Formula: C79 H46 Cl10 Dy N12 O5
• Calculated formula: C79 H46 Cl10 Dy N12 O5
• 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: 38.436 ± 0.005 Å
• b: 19.024 ± 0.002 Å
• c: 26.273 ± 0.003 Å
• α: 90°
• β: 127.986 ± 0.003°
• γ: 90°
• Cell volume: 15141 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No