Information card for entry 7002267

Structure parameters

• Formula: C31 H45 Cr N2 Ni O10
• Calculated formula: C31 H45 Cr N2 Ni O10
• SMILES: [Ni]12([O]3[Cr]45([O]=C(O1)C(C)(C)C)([O]2c1c(C=[N]5CC[N]4=Cc2c3cccc2)cccc1)OC(=O)C(C)(C)C)(OC(=O)C(C)(C)C)([OH2])[OH2]
• Title of publication: Ferromagnetic coupled μ-phenoxo-μ-carboxylato heterodinuclear complexes based on the Cr(salen) moiety: structural and magnetic characterization
• Authors of publication: Alborés, Pablo; Seeman, Johanna; Rentschler, Eva
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7660 - 7668
• a: 17.473 ± 0.003 Å
• b: 17.499 ± 0.004 Å
• c: 23.282 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7119 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No