Information card for entry 2224143

Structure parameters

• Chemical name: Tetrakis(μ-6-hydroxy-1-naphthoato)bis[(6-hydroxy-1-naphthoato)(1,10- phenanthroline)europium(III)] dihydrate
• Formula: C90 H62 Eu2 N4 O20
• Calculated formula: C90 H62 Eu2 N4 O20
• SMILES: C1(c2cccc3c2ccc(c3)O)=[O][Eu]23456([n]7cccc8ccc9ccc[n]2c9c78)(O1)[O]=C(c1c2ccc(cc2ccc1)O)[O]5[Eu]125([O]4C(=[O]2)c4c2ccc(O)cc2ccc4)([O]=C(O3)c2cccc3c2ccc(O)c3)([O]=C(c2cccc3cc(ccc23)O)O5)([n]2cccc3ccc4ccc[n]1c4c23)OC(=[O]6)c1cccc2cc(O)ccc12.O.O
• Title of publication: Tetrakis(μ-6-hydroxy-1-naphthoato)bis[(6-hydroxy-1-naphthoato)(1,10-phenanthroline)europium(III)] dihydrate
• Authors of publication: Liu, Chun-Sen; Hu, Min; Zhang, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1572 - m1573
• a: 11.7132 ± 0.0009 Å
• b: 12.7143 ± 0.001 Å
• c: 14.8822 ± 0.0012 Å
• α: 65.79 ± 0.001°
• β: 88.276 ± 0.001°
• γ: 70.437 ± 0.001°
• Cell volume: 1889.8 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes