Information card for entry 7017788

Structure parameters

• Formula: C10 H7 N3 O2
• Calculated formula: C10 H7 N3 O2
• SMILES: n1c(c(ccc1)N(=O)=O)c1ncccc1
• Title of publication: On the electronic structure of nitro-substituted bipyridines and their platinum complexes.
• Authors of publication: Murray, Paul R.; Crawford, Stephen; Dawson, Alice; Delf, Alexander; Findlay, Calum; Jack, Lorna; McInnes, Eric J. L.; Al-Musharafi, Salma; Nichol, Gary S.; Oswald, Iain; Yellowlees, Lesley J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 201 - 207
• a: 7.4647 ± 0.0003 Å
• b: 10.1931 ± 0.0004 Å
• c: 11.7396 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.25 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No