Information card for entry 7020976

Structure parameters

• Formula: C72 H86 B Br2 N4 O12 Tb Zn2
• Calculated formula: C72 H86 B Br2 N4 O12 Tb Zn2
• Title of publication: A luminescent single-molecule magnet: observation of magnetic anisotropy using emission as a probe.
• Authors of publication: Yamashita, Kei; Miyazaki, Rie; Kataoka, Yumiko; Nakanishi, Takayuki; Hasegawa, Yasuchika; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 1987 - 1990
• a: 13.421 ± 0.002 Å
• b: 33.281 ± 0.006 Å
• c: 16.773 ± 0.003 Å
• α: 90°
• β: 108.518 ± 0.002°
• γ: 90°
• Cell volume: 7104 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No