Information card for entry 7046572

Structure parameters

• Formula: C14 H11 Cu N3 O6
• Calculated formula: C14 H11 Cu N3 O6
• Title of publication: Water oxidation by a copper(ii) complex: new findings, questions, challenges and a new hypothesis.
• Authors of publication: Najafpour, Mohammad Mahdi; Mehrabani, Somayeh; Mousazade, Younes; Hołyńska, Małgorzata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9021 - 9029
• a: 7.344 ± 0.003 Å
• b: 8.507 ± 0.003 Å
• c: 12.926 ± 0.004 Å
• α: 73.95 ± 0.03°
• β: 83.6 ± 0.03°
• γ: 80.66 ± 0.03°
• Cell volume: 763.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No