Information card for entry 2214845

Structure parameters

• Chemical name: 1,10-Phenanthrolin-1-ium 1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylate 1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylic acid monohydrate
• Formula: C22 H24 N2 O13 P2
• Calculated formula: C22 H24 N2 O13 P2
• Title of publication: 1,10-Phenanthrolin-1-ium 1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylate 1-oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-4-carboxylic acid monohydrate
• Authors of publication: Wang, Zhi; Zang, Hong-Jun; Guo, Ming-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3418
• a: 9.2841 ± 0.0018 Å
• b: 8.5863 ± 0.0016 Å
• c: 31.124 ± 0.006 Å
• α: 90°
• β: 99.917 ± 0.005°
• γ: 90°
• Cell volume: 2444 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes