Information card for entry 4513712

Structure parameters

• Formula: C66 H108 Cr N6 O24 P3
• Calculated formula: C66 H108 Cr N6 O24 P3
• SMILES: [Cr]123(OC4=C(N(=O)=O)C(=O)C(=O)C(=C4O1)N(=O)=O)(OC1=C(N(=O)=O)C(=O)C(=O)C(=C1O2)N(=O)=O)OC1=C(N(=O)=O)C(=O)C(=O)C(=C1O3)N(=O)=O.[P+](CCCC)(CCCC)(CCCC)CCCC.[P+](CCCC)(CCCC)(CCCC)CCCC.[P+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions
• Authors of publication: Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2016
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 518
• a: 11.1016 ± 0.0008 Å
• b: 12.615 ± 0.002 Å
• c: 30.134 ± 0.003 Å
• α: 85.271 ± 0.01°
• β: 85.275 ± 0.007°
• γ: 68.409 ± 0.01°
• Cell volume: 3904.5 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.304
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No