Information card for entry 4318199

Structure parameters

• Formula: C50 H64 Cd N14 O4 S2
• Calculated formula: C50 H64 Cd N14 O4 S2
• SMILES: [n]1(ccc(cc1)C1=NC(C([N]1=O)(C)C)(C)C)[Cd]([n]1ccc(cc1)C1[N](C(C(N=1)(C)C)(C)C)=O)([n]1ccc(cc1)C1[N](C(C(N=1)(C)C)(C)C)=O)([n]1ccc(cc1)C1=NC(C([N]1=O)(C)C)(C)C)(N=C=S)N=C=S
• 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: 7.3016 ± 0.0012 Å
• b: 13.744 ± 0.003 Å
• c: 14.2278 ± 0.0012 Å
• α: 91.3115 ± 0.0013°
• β: 99.581 ± 0.009°
• γ: 97.721 ± 0.019°
• Cell volume: 1393.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No