Information card for entry 7017787

Structure parameters

• Formula: C14 H14 N4 O6
• Calculated formula: C14 H14 N4 O6
• SMILES: c1(ncc(N(=O)=O)cc1)c1ccc(cn1)N(=O)=O.C1OCCOC1
• 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: 6.4941 ± 0.0006 Å
• b: 6.5761 ± 0.0006 Å
• c: 9.3664 ± 0.0008 Å
• α: 85.2 ± 0.001°
• β: 87.91 ± 0.001°
• γ: 66.005 ± 0.001°
• Cell volume: 364.15 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No