Information card for entry 2013158

Structure parameters

• Formula: C24 H58 Cl3 Li N10 O15 Zn2
• Calculated formula: C24 H58 Cl3 Li N10 O15 Zn2
• Title of publication: A zinc‒lithium complex of 4,7-bis(2-aminoethyl)-1,4,7-triazacyclononane-1-acetate
• Authors of publication: Blake, Alexander J.; Tei, Lorenzo; Schröder, Martin; Wilson, Claire
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m43 - m45
• a: 15.6382 ± 0.0012 Å
• b: 8.8403 ± 0.0007 Å
• c: 29.595 ± 0.002 Å
• α: 90°
• β: 103.672 ± 0.002°
• γ: 90°
• Cell volume: 3975.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1215
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes