Information card for entry 7007927

Structure parameters

• Formula: C36 H43 Eu2 N6 Na1.5 O17
• Calculated formula: C36 H43 Eu2 N6 Na1.5 O17
• SMILES: [Eu]1234567OC(=O)C[N]86Cc6[n]5c(ccc6)C[N]7(CC#CC[N]56[Eu]79(OC(=O)C[N]7(CC#CC8)Cc7[n]9c(ccc7)C5)(OC(=O)C6)([O]=C(O2)C)(OC(=[O]3)C)[O]=C(O4)C)CC(=O)O1.[Na+].[Na+].O.O.O
• Title of publication: Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.
• Authors of publication: Brunner, Jens; Pritzkow, Hans; Krämer, Roland
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 338 - 343
• a: 10.353 ± 0.0005 Å
• b: 13.0001 ± 0.0006 Å
• c: 18.6967 ± 0.0008 Å
• α: 91.064 ± 0.001°
• β: 103.082 ± 0.001°
• γ: 93.949 ± 0.001°
• Cell volume: 2443.75 ± 0.19 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No