Information card for entry 7050509

Structure parameters

• Formula: C42 H80 Cr2 Cu3 N24 O4
• Calculated formula: C42 H66 Cr2 Cu3 N24 O4
• SMILES: C1N2CCC[NH]3CCN4CCC[NH]([Cu]234)C1.[Cr](C#N)(C#N)(C#N)(C#N)(C#[N][Cu]123(N4CCC[NH]1CCN2CCC[NH]3CC4)[N]#C[Cr](C#N)(C#N)(C#N)(C#N)C#N)C#N.O.O.C1CN2CCC[NH]3CCN4CCC[NH]1[Cu]234.O.O
• Title of publication: A new one-dimensional ferromagnet based on copper(ii) and hexacyanochromate(iii), with a rope-ladder chain structure
• Authors of publication: Salah El Fallah, M.; Ribas, Joan; Solans, Xavier; Font-Bardia, Mercé
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 895
• a: 8.945 ± 0.003 Å
• b: 33.559 ± 0.008 Å
• c: 9.959 ± 0.015 Å
• α: 90°
• β: 96.389 ± 0.01°
• γ: 90°
• Cell volume: 2971 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No