Information card for entry 7202470

Structure parameters

• Formula: C18 H52 N6 O16 P4
• Calculated formula: C18 H52 N6 O16 P4
• Title of publication: Investigations into the efficacy of methyhlphosphonic acid functionalised 1,4,7-triazacyclononane ligands in bleaching catalysis
• Authors of publication: Shastri, Kirtida; Cheng, Eileen W. C.; Motevalli, Majid; Schofield, John; Wilkinson, Jennifer S.; Watkinson, Michael
• Journal of publication: Green Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 996
• a: 20.45 ± 0.004 Å
• b: 7.329 ± 0.002 Å
• c: 10.31 ± 0.003 Å
• α: 90°
• β: 99.28 ± 0.02°
• γ: 90°
• Cell volume: 1525 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No