Information card for entry 7030369

Structure parameters

• Formula: C22 H60 La2 N6 O28
• Calculated formula: C22 H60 La2 N6 O28
• SMILES: C1[N]23CCC[N]45CC(=O)O[La]6725(OC(=O)C3)(OC(=O)C4)([OH2])([OH2])[O]2C1=[O][La]134582([N](CC([O]63)=[O]7)(CC(=O)O4)CCC[N]1(CC(=O)O5)CC(=O)O8)([OH2])[OH2].[NH4+].O.O.O.O.[NH4+].O.O.O.O
• Title of publication: Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.
• Authors of publication: Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8690 - 8697
• a: 9.182 ± 0.0002 Å
• b: 10.7781 ± 0.0003 Å
• c: 11.3519 ± 0.0003 Å
• α: 101.512 ± 0.002°
• β: 105.284 ± 0.002°
• γ: 100.003 ± 0.002°
• Cell volume: 1031.01 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No