Information card for entry 7027133

Structure parameters

• Formula: C28 H56 Eu2 N4 Na2 O26
• Calculated formula: C28 H3.6 Eu2 N4 Na2 O26
• SMILES: [Eu]123456([OH2][Eu]789%10%11([OH2]6)OC(=O)C[N]%10([C@H]6CCCC[C@@H]6[N]%11(CC(=O)O8)CC(=O)O9)CC(=O)O7)OC(=O)C[N]4([C@@H]4CCCC[C@H]4[N]5(CC(=O)O2)CC(=O)O3)CC(=O)O1.[Na+].O.O.O.O.[Na+].O.O.O.O
• Title of publication: Crystal structure and luminescence of Na[Eu(DCTA)·H2O]·4H2O (DCTA = trans-cyclohexane-1,2-diyldinitrilotetraacetate)
• Authors of publication: Kang, Jun-Gill; Yoon, Soo-Kyung; Sohn, Youngku; Kim, Jong-Goo; Kim, Youn-Doo; Suh, Il-Hwan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 1467
• a: 8.612 ± 0.002 Å
• b: 9.9105 ± 0.0016 Å
• c: 24.25 ± 0.006 Å
• α: 90°
• β: 98.38 ± 0.02°
• γ: 90°
• Cell volume: 2047.6 ± 0.8 ų
• Cell temperature: 288 K
• Ambient diffraction temperature: 288 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No