Information card for entry 7207956

Structure parameters

• Formula: C60 H46 N19 O23 Tb
• Calculated formula: C60 H42 N19 O23 Tb
• SMILES: [Tb]123([N](Cc4[n]1c1ccccc1n4Cc1cnccc1)(Cc1[n]2c2ccccc2n1Cc1cnccc1)Cc1[n]3c2ccccc2n1Cc1cnccc1)(Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)(Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.O.O
• Title of publication: Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna
• Authors of publication: Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3868
• a: 12.9555 ± 0.0002 Å
• b: 22.6337 ± 0.0004 Å
• c: 20.6389 ± 0.0004 Å
• α: 90°
• β: 94.147 ± 0.002°
• γ: 90°
• Cell volume: 6036.12 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No