Information card for entry 4318201

Structure parameters

• Formula: C48 H64 Cd N18 O8
• Calculated formula: C48 H64 Cd N18 O8
• SMILES: [Cd]([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1ccc(cc1)C1=N(C(C([N]1=O)(C)C)(C)C)=O)([n]1ccc(cc1)C1=N(=O)C(C)(C)C([N]1=O)(C)C)([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)(N=N#N)N=N#N
• 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: 7.142 ± 0.0003 Å
• b: 13.4923 ± 0.0006 Å
• c: 14.1634 ± 0.0007 Å
• α: 90.824 ± 0.002°
• β: 101.843 ± 0.002°
• γ: 94.503 ± 0.002°
• Cell volume: 1330.99 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1164
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No