Information card for entry 7030372

Structure parameters

• Formula: C22 H58 Ce2 K2 N4 O31
• Calculated formula: C22 H58 Ce2 K2 N4 O31
• 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: 9.0204 ± 0.0005 Å
• b: 10.789 ± 0.0006 Å
• c: 11.7467 ± 0.0005 Å
• α: 80.869 ± 0.004°
• β: 80.717 ± 0.004°
• γ: 76.388 ± 0.005°
• Cell volume: 1087.82 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No