Information card for entry 7229277

Structure parameters

• Formula: C50 H42 Eu2 N8 O12
• Calculated formula: C50 H42 Eu2 N8 O12
• SMILES: c1ccc2c3c4[n](cccc4c4nc([nH]c24)c2ccccc2)[Eu]25467([n]13)([O]=C([O]2[Eu]123([n]8cccc9c8c8[n]1cccc8c1nc([nH]c91)c1ccccc1)([O]=C(O2)C)([O]=C([O]63)C)([O]=C(O5)C)OC(=[O]7)C)C)[O]=C(O4)C
• Title of publication: Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis
• Authors of publication: Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.8401 ± 0.0015 Å
• b: 10.4399 ± 0.0016 Å
• c: 13.681 ± 0.002 Å
• α: 92.681 ± 0.002°
• β: 110.976 ± 0.002°
• γ: 109.933 ± 0.002°
• Cell volume: 1210.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No