Information card for entry 7035874

Structure parameters

• Formula: C72 H52 Br6 N4 Nd2 O18
• Calculated formula: C72 H52 Br6 N4 Nd2 O18
• SMILES: C1(c2c(ccc(c2)OC)Br)=[O][Nd]23456([n]7cccc8c7c7[n]2cccc7cc8)([O]1[Nd]127([O]=C(O3)c3c(Br)ccc(OC)c3)([n]3cccc8c3c3[n]1cccc3cc8)([O]=C(c1c(ccc(c1)OC)Br)[O]52)(OC(=[O]6)c1c(Br)ccc(OC)c1)[O]=C(O7)c1c(Br)ccc(OC)c1)[O]=C(O4)c1c(Br)ccc(c1)OC
• Title of publication: Preparation, characterization and properties of four new trivalent lanthanide complexes constructed using 2-bromine-5-methoxybenzoic acid and 1,10-phenanthroline.
• Authors of publication: Zong, Guang-Cai; Huo, Jian-Xia; Ren, Ning; Zhang, Jian-Jun; Qi, Xiao-Xia; Gao, Jie; Geng, Li-Na; Wang, Shu-Ping; Shi, Shi-Kao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14877 - 14886
• a: 12.4699 ± 0.0012 Å
• b: 13.2334 ± 0.0013 Å
• c: 13.5944 ± 0.0013 Å
• α: 61.105 ± 0.001°
• β: 69.682 ± 0.002°
• γ: 71.28 ± 0.002°
• Cell volume: 1809.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1839
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No