Information card for entry 2015513

Structure parameters

• Chemical name: {4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^N,O)benzyl]-1,7-dioxa-4,10- diazacyclododecane-κ^4^N^4^,N^10^,O^1,O^7^}ytterbium(III) perchlorate acetonitrile solvate
• Formula: C38 H41 Cl N5 O8 Yb
• Calculated formula: C38 H41 Cl N5 O8 Yb
• SMILES: [Yb]1234567Oc8ccccc8C=[N]4c4ccccc4C[N]45CC[O]1CC[N]6(CC[O]2CC4)Cc1ccccc1[N]7=Cc1ccccc1O3.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: {4,10-Bis[2-(2-oxidobenzylideneamino-κ^2^<i>N</i>,<i>O</i>)benzyl]-1,7-dioxa-4,10-diazacyclododecane-κ^4^<i>O</i>^1^,<i>N</i>^4^,<i>O</i>^3^,<i>N</i>^10^}ytterbium(III) perchlorate acetonitrile solvate
• Authors of publication: González-Lorenzo, Marina; De Blas, Andres; Esteban-Gómez, David; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m360 - m362
• a: 11.901 ± 0.002 Å
• b: 13.855 ± 0.003 Å
• c: 21.936 ± 0.004 Å
• α: 90°
• β: 95.347 ± 0.003°
• γ: 90°
• Cell volume: 3601.3 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No