Information card for entry 7000214

Structure parameters

• Formula: C48 H68 Cl10 N4 O2 Zn2
• Calculated formula: C38 H46 Cl4 N4 Zn2
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)c2[n]([Zn]1(Cl)Cl)c(ccc2)c1[n]2c(C(=[N](c3c(cccc3C(C)C)C(C)C)[Zn]2(Cl)Cl)C)ccc1
• 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: 24.436 ± 0.008 Å
• b: 14.694 ± 0.005 Å
• c: 16.839 ± 0.006 Å
• α: 90°
• β: 112.374 ± 0.006°
• γ: 90°
• Cell volume: 5591 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2068
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No