Information card for entry 7053339

Structure parameters

• Formula: C78 H70 Ho2 N4 O12
• Calculated formula: C78 H70 Ho2 N4 O12
• SMILES: c1cc(ccc1C1=[O][Ho]2345([n]6cccc7c6c6[n]3cccc6cc7)(O1)[O]=C(O[Ho]13([O]=C(O4)c4ccc(cc4)CC)([O]=C(c4ccc(cc4)CC)O3)([n]3cccc4ccc6ccc[n]1c6c34)([O]=C(O5)c1ccc(cc1)CC)[O]=C(O2)c1ccc(cc1)CC)c1ccc(cc1)CC)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: 10.5709 ± 0.0018 Å
• b: 11.734 ± 0.002 Å
• c: 13.976 ± 0.003 Å
• α: 80.499 ± 0.005°
• β: 83.494 ± 0.005°
• γ: 82.076 ± 0.006°
• Cell volume: 1686.2 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No