Information card for entry 4312535

Structure parameters

• Formula: C20 H30 Cl2 Mn N8 O4
• Calculated formula: C20 H30 Cl2 Mn N8 O4
• SMILES: c1[n]2c(c[nH]1)C1N(C(C(C)(N=1=O)C)(C)C)O[Mn]12(Cl)([n]2c[nH]cc2C2N(C(C(C)(N=2=O)C)(C)C)O1)Cl
• 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: 7.5167 ± 0.0009 Å
• b: 8.917 ± 0.001 Å
• c: 9.743 ± 0.002 Å
• α: 76.161 ± 0.004°
• β: 85.579 ± 0.003°
• γ: 87.805 ± 0.005°
• Cell volume: 632.06 ± 0.17 ų
• Cell temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.767
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No