Information card for entry 7002266

Structure parameters

• Formula: C42 H34 Cr N4 O3 P
• Calculated formula: C42 H34 Cr N4 O3 P
• SMILES: [Cr]123(Oc4c(C=[N]2CC[N]3=Cc2ccccc2O1)cccc4)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• 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: 9.496 ± 0.004 Å
• b: 13.23 ± 0.005 Å
• c: 14.082 ± 0.005 Å
• α: 90°
• β: 92.183 ± 0.012°
• γ: 90°
• Cell volume: 1767.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No