Information card for entry 7003787

Structure parameters

• Formula: C59 H49 N2 O6 Tb
• Calculated formula: C59 H49 N2 O6 Tb
• SMILES: c1(ccccc1)[C@@H]1[C@@H](c2ccccc2)[NH2][Tb]234([NH2]1)(OC(=CC(c1ccccc1)=[O]2)c1ccccc1)([O]=C(c1ccccc1)C=C(c1ccccc1)O3)OC(=CC(c1ccccc1)=[O]4)c1ccccc1
• Title of publication: Dielectric anisotropy of a homochiral rare-earth metal complex
• Authors of publication: Wang, Guo-Xi; Han, Guang-Fan; Ye, Qiong; Xiong, Ren-Gen; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Chan, Philip Wai Hong; Huang, Songping D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2527 - 2530
• a: 23.196 ± 0.004 Å
• b: 13 ± 0.002 Å
• c: 17.731 ± 0.003 Å
• α: 90°
• β: 111.338 ± 0.003°
• γ: 90°
• Cell volume: 4980.2 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No