Information card for entry 4312536

Structure parameters

• Formula: C20 H30 Br2 Cu N8 O4
• Calculated formula: C20 H30 Br2 Cu N8 O4
• SMILES: c1[n]2[Cu]3(ON4C(c2c[nH]1)=N(C(C4(C)C)(C)C)=O)(Br)([n]1c[nH]cc1C1N(C(C(C)(N=1=O)C)(C)C)O3)Br
• 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: 17.603 ± 0.002 Å
• b: 7.4777 ± 0.0007 Å
• c: 17.582 ± 0.002 Å
• α: 90°
• β: 35.096 ± 0.004°
• γ: 90°
• Cell volume: 1330.6 ± 0.3 ų
• Cell temperature: 100 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.513
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No