Information card for entry 4318198

Structure parameters

• Common name: Zn(PNN)2(NCS)2
• Formula: C26 H32 N8 O4 S2 Zn
• Calculated formula: C26 H32 N8 O4 S2 Zn
• SMILES: c1cc(cc[n]1[Zn](N=C=S)(N=C=S)[n]1ccc(cc1)C1=N(C(C(C)([N]1=O)C)(C)C)=O)C1=N(C(C(C)([N]1=O)C)(C)C)=O
• 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: 6.191 ± 0.004 Å
• b: 20.361 ± 0.003 Å
• c: 12.048 ± 0.006 Å
• α: 90°
• β: 97.36 ± 0.02°
• γ: 90°
• Cell volume: 1506.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No