Information card for entry 7007604

Structure parameters

• Formula: C27 H51 N3 O Zn
• Calculated formula: C27 H51 N3 O Zn
• SMILES: [Zn]12(Oc3c(cc(cc3C[N]1(CCC[N]2(C)C)CCCN(C)C)C(C)(C)C)C(C)(C)C)CC
• Title of publication: Coordination complexes bearing potentially tetradentate phenoxyamine ligands.
• Authors of publication: Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 42
• Pages of publication: 5014 - 5023
• a: 11.6696 ± 0.0003 Å
• b: 19.4177 ± 0.0006 Å
• c: 25.5282 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5784.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No