Information card for entry 7006152

Structure parameters

• Formula: C58 H65 Cl11 N6 O3 Zn3
• Calculated formula: C54 H57 Cl3 N6 O3 Zn3
• SMILES: [Zn]123(Cl)[O]4[Zn](Cl)(Oc5[n]([Zn]6(Cl)[n]7c(c8cccc(c9[n]3c(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)ccc9)c48)cccc7C(=[N]6c2c(cccc2C(C)C)C(C)C)C)cccc5)[n]2c(O1)cccc2
• Title of publication: Sterically variable dizinc complexes bearing bis(iminopyridyl)phenolate ligands: synthesis, structures and reactivity studies.
• Authors of publication: Champouret, Yohan D. M.; Nodes, William J.; Scrimshire, Jason A.; Singh, Kuldip; Solan, Gregory A.; Young, Isla
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4565 - 4575
• a: 14.552 ± 0.005 Å
• b: 15.446 ± 0.005 Å
• c: 16.558 ± 0.006 Å
• α: 114.106 ± 0.005°
• β: 94.58 ± 0.006°
• γ: 102.681 ± 0.005°
• Cell volume: 3253.7 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No