Information card for entry 4304067

Structure parameters

• Chemical name: 3-(2-imidazol)-1,5-dimethyl-6-oxoverdazyl
• Formula: C7 H19 N6 O6
• Calculated formula: C7 H19 N6 O6
• SMILES: n1cc[nH]c1C1=NN(C(=O)[N](=N1)C)C.O.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: 6.7838 ± 0.0005 Å
• b: 10.4162 ± 0.0007 Å
• c: 10.7447 ± 0.0007 Å
• α: 83.275 ± 0.004°
• β: 71.895 ± 0.004°
• γ: 76.38 ± 0.003°
• Cell volume: 700.56 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No