Information card for entry 7024252

Structure parameters

• Formula: C28 H27 Cu N11 O4
• Calculated formula: C28 H27 Cu N11 O4
• 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: 9.2603 ± 0.0002 Å
• b: 10.543 ± 0.0002 Å
• c: 16.2011 ± 0.0004 Å
• α: 71.7144 ± 0.001°
• β: 89.4148 ± 0.0009°
• γ: 79.46 ± 0.0011°
• Cell volume: 1474.64 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No