Information card for entry 7024251

Structure parameters

• Formula: C15 H12 Cu N5 O4 P
• Calculated formula: C15 H12 Cu N5 O4 P
• SMILES: [Cu]123(ON=O)(ON=[O]1)[n]1ccccc1P(c1[n]2cccc1)c1[n]3cccc1
• Title of publication: Nitrite reduction by copper complexes.
• Authors of publication: Woollard-Shore, John G; Holland, Jason P.; Jones, Michael W.; Dilworth, Jonathan R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1576 - 1585
• a: 8.4454 ± 0.0001 Å
• b: 14.2019 ± 0.0002 Å
• c: 14.0713 ± 0.0002 Å
• α: 90°
• β: 95.4736 ± 0.0008°
• γ: 90°
• Cell volume: 1680.03 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No