Information card for entry 4312530

Structure parameters

• Formula: C10 H15 N4 O2
• Calculated formula: C10 H15 N4 O2
• SMILES: O=[N]1C(=N(=O)C(C1(C)C)(C)C)c1nc[nH]c1
• Title of publication: Molecular Metamagnet [Ni(4ImNNH)2(NO3)2] (4ImNNH = 4-Imidazolyl Nitronyl Nitroxide) and the Related Compounds Showing Supramolecular H-Bonding Interactions
• Authors of publication: Chigusa Aoki; Takayuki Ishida; Takashi Nogami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7616 - 7625
• a: 20.7966 ± 0.0009 Å
• b: 20.7966 ± 0.0009 Å
• c: 10.6931 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4624.8 ± 0.4 ų
• Cell temperature: 90 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No