Information card for entry 7000211

Structure parameters

• Formula: C36.5 H47 Cl3 N4 O2 Zn
• Calculated formula: C36 H42 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=Cc3[n]1c(ccc3)c1[n]2c(ccc1)/C=N/c1c(cccc1C(C)C)C(C)C
• 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: 13.701 ± 0.003 Å
• b: 16.571 ± 0.003 Å
• c: 33.355 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7573 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No