Information card for entry 4304068

Structure parameters

• Formula: C7 H17 N6 O5
• Calculated formula: C7 H17 N6 O5
• SMILES: O=C1[N](=NC(=NN1C)c1[nH]ccn1)C.O.O.O.O
• Title of publication: Imidazole-Substituted Oxoverdazyl Radical As a Mediator of Intramolecular and Intermolecular Exchange Interaction
• Authors of publication: Lucie Norel; Fabrice Pointillart; Cyrille Train; Lise-Marie Chamoreau; Kamal Boubekeur; Yves Journaux; Aaron Brieger; David J. R. Brook
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2396 - 2403
• a: 6.6408 ± 0.0007 Å
• b: 10.4782 ± 0.0009 Å
• c: 18.6166 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.4 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1276
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No