Information card for entry 7229279

Structure parameters

• Formula: C50 H42 Dy2 N8 O12
• Calculated formula: C50 H42 Dy2 N8 O12
• SMILES: c1ccc2c3c(c4c5[n](ccc4)[Dy]46789([n]1c25)([O](C(=[O]4)C)[Dy]124([n]5cccc%10c%11c(c%12ccc[n]1c%12c5%10)[nH]c(n%11)c1ccccc1)([O]9C(=[O]2)C)([O]=C(O4)C)([O]=C(O8)C)OC(=[O]7)C)[O]=C(O6)C)[nH]c(n3)c1ccccc1
• 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: 9.8152 ± 0.0019 Å
• b: 10.379 ± 0.002 Å
• c: 13.594 ± 0.003 Å
• α: 73.302 ± 0.003°
• β: 69.411 ± 0.003°
• γ: 70.576 ± 0.003°
• Cell volume: 1199.6 ± 0.4 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: 0.0539
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No