Information card for entry 4312531

Structure parameters

• Formula: C20 H30 Mn N10 O10
• Calculated formula: C20 H30 Mn N10 O10
• SMILES: c1[n]2c(c[nH]1)C1N(C(C(N=1=O)(C)C)(C)C)O[Mn]12(ON(=O)=O)([n]2c[nH]cc2C2N(C(C(C)(N=2=O)C)(C)C)O1)ON(=O)=O
• 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: 13.3749 ± 0.0009 Å
• b: 11.0529 ± 0.0009 Å
• c: 13.3455 ± 0.0007 Å
• α: 90°
• β: 43.615 ± 0.002°
• γ: 90°
• Cell volume: 1360.91 ± 0.17 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.943
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No