Information card for entry 7000213

Structure parameters

• Formula: C26 H28 Cl7 N3 O Zn
• Calculated formula: C24 H25 Cl2 N3 O Zn
• SMILES: [Zn]12(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=Cc3[n]1c(ccc3)c1[n]2c(ccc1)C=O
• Title of publication: Solid and solution state flexibility of sterically congested bis(imino)bipyridine complexes of zinc(ii) and nickel(ii)
• Authors of publication: Griffith, Gerry A.; Al-Khatib, Mohamed J.; Patel, Kalpana; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 185 - 196
• a: 20.148 ± 0.005 Å
• b: 20.148 ± 0.005 Å
• c: 15.683 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6366 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No