Information card for entry 4350207

Structure parameters

• Formula: C47 H88 N10 O24 P2 Y2
• Calculated formula: C47 H76 N10 O24 P2 Y2
• Title of publication: Three in one: TSA, TSA', and SA units in one crystal structure of a yttrium(III) complex with a monophosphinated H4dota analogue.
• Authors of publication: Kotek, Jan; Rudovský, Jakub; Hermann, Petr; Lukes, Ivan
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3097 - 3102
• a: 13.3278 ± 0.0002 Å
• b: 35.8714 ± 0.0006 Å
• c: 13.5384 ± 0.0003 Å
• α: 90°
• β: 89.9603 ± 0.0007°
• γ: 90°
• Cell volume: 6472.5 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0805
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No