Information card for entry 7030370

Structure parameters

• Formula: C22 H60 Ce2 N6 O28
• Calculated formula: C22 H60 Ce2 N6 O28
• SMILES: C1C2=[O][Ce]345678([O]2[Ce]29%10%11%12([N]1(CCC[N]2(CC(=O)O%10)CC(=O)O%11)CC(=O)O9)([OH2])([OH2])[O]5C(=[O]%12)C[N]3(CC(=O)O6)CCC[N]4(CC(=O)O7)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: 9.1815 ± 0.0004 Å
• b: 10.7611 ± 0.0004 Å
• c: 11.3292 ± 0.0004 Å
• α: 101.806 ± 0.003°
• β: 105.137 ± 0.003°
• γ: 99.966 ± 0.003°
• Cell volume: 1026.83 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No