Information card for entry 4318202

Structure parameters

• Formula: C48 H64 N18 O8 Zn
• Calculated formula: C48 H64 N18 O8 Zn
• SMILES: [n]1([Zn]([n]2ccc(cc2)C2=N(C(C([N]2=O)(C)C)(C)C)=O)([n]2ccc(cc2)C2=N(C(C([N]2=O)(C)C)(C)C)=O)([n]2ccc(cc2)C2=N(=O)C(C([N]2=O)(C)C)(C)C)(N=N#N)N=N#N)ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C
• Title of publication: Temperature Dependence of the Crystal Lattice Organization of Coordination Compounds Involving Nitronyl Nitroxide Radicals: A Magnetic and Structural Investigation
• Authors of publication: Mohammed Fettouhi; Bassam El Ali; Abdel Moneim El-Ghanam; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3705 - 3712
• a: 7.171 ± 0.003 Å
• b: 13.7915 ± 0.0016 Å
• c: 13.967 ± 0.004 Å
• α: 90.15 ± 0.016°
• β: 103.22 ± 0.03°
• γ: 91.931 ± 0.018°
• Cell volume: 1343.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No