Information card for entry 7053485

Structure parameters

• Formula: C35 H40 Br3 N5 O7 Zn2
• Calculated formula: C35 H40 Br3 N5 O7 Zn2
• SMILES: [Zn]1234[O]5[Zn]678(Oc9ccc(Br)cc9C=[N]7CC[N]78CC[N]4(CC[N]3=Cc3cc(Br)ccc3O1)C7c1cc(ccc15)Br)[O]2C(C)=CC(=[O]6)C.O.OC.N#CC
• Title of publication: Design of chiral homodinuclear complexes based on the coordinating behaviour of some symmetric ligands
• Authors of publication: García-Deibe, Ana M.; Fondo, Matilde; Ocampo, Noelia; Sanmartín, Jesús; Gómez-Fórneas, Esther
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1073
• a: 12.0335 ± 0.0017 Å
• b: 11.6409 ± 0.0016 Å
• c: 27.861 ± 0.004 Å
• α: 90°
• β: 94.4 ± 0.002°
• γ: 90°
• Cell volume: 3891.3 ± 0.9 ų
• Cell temperature: 120 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No