Information card for entry 7053342

Structure parameters

• Formula: C78 H70 N4 Nd2 O12
• Calculated formula: C78 H70 N4 Nd2 O12
• SMILES: C1(c2ccc(cc2)CC)=[O][Nd]23456([n]7cccc8c7c7[n]2cccc7cc8)([O]=C(O3)c2ccc(cc2)CC)[O]=C([O]4[Nd]234(O1)([n]1cccc7ccc8ccc[n]2c8c17)([O]=C(c1ccc(cc1)CC)O5)([O]=C(O3)c1ccc(cc1)CC)[O]=C([O]64)c1ccc(cc1)CC)c1ccc(cc1)CC
• Title of publication: Crystal structures, luminescent and thermal properties of a new series of lanthanide complexes with 4-ethylbenzoic acid
• Authors of publication: Ye, Hong-Mei; Ren, Ning; Zhang, Jian-Jun; Sun, Shu-Jing; Wang, Juan-Fen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 533
• a: 10.8233 ± 0.0017 Å
• b: 12.664 ± 0.002 Å
• c: 13.627 ± 0.002 Å
• α: 77.966 ± 0.008°
• β: 79.457 ± 0.008°
• γ: 71.233 ± 0.006°
• Cell volume: 1716 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No