Information card for entry 7000215

Structure parameters

• Formula: C41 H49 Cl11 N4 Ni
• Calculated formula: C41 H49 Cl11 N4 Ni
• SMILES: [Ni]123(Cl)(Cl)[N](c4c(cccc4C(C)C)C(C)C)=C(C)c4[n]1c(ccc4)c1[n]2c(ccc1)C(=[N]3c1c(cccc1C(C)C)C(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.8776 ± 0.0017 Å
• b: 14.496 ± 0.002 Å
• c: 17.156 ± 0.003 Å
• α: 65.944 ± 0.003°
• β: 88.962 ± 0.003°
• γ: 77.909 ± 0.003°
• Cell volume: 2408.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1371
• 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