Information card for entry 7033066

Structure parameters

• Formula: C15 H10 Cu N4 O4
• Calculated formula: C15 H10 Cu N4 O4
• SMILES: [Cu]12([n]3c(N=[N]1c1c4c(ccc1O2)cccc4)cccc3)ON(=O)=O
• Title of publication: A new copper species based on an azo-compound utilized as a homogeneous catalyst for water oxidation.
• Authors of publication: Yu, Wei-Bin; He, Qing-Ya; Ma, Xiu-Fang; Shi, Hua-Tian; Wei, Xianwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 351 - 358
• a: 9.046 ± 0.003 Å
• b: 11.876 ± 0.004 Å
• c: 14.006 ± 0.005 Å
• α: 90°
• β: 108.792 ± 0.004°
• γ: 90°
• Cell volume: 1424.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No