Information card for entry 4306999

Structure parameters

• Formula: C36 H34 Ce N7 O11
• Calculated formula: C36 H30 Ce N7 O11
• Title of publication: 1,2-HOIQO a Highly Versatile 1,2-HOPO Analogue
• Authors of publication: Michael Seitz; Michael D. Pluth; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 351 - 353
• a: 12.341 ± 0.002 Å
• b: 26.649 ± 0.004 Å
• c: 10.6206 ± 0.0017 Å
• α: 90°
• β: 96.753 ± 0.003°
• γ: 90°
• Cell volume: 3468.6 ± 0.9 ų
• Cell temperature: 189 ± 2 K
• Ambient diffraction temperature: 189 ± 2 K
• Number of distinct elements: 5
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No