Information card for entry 7006150

Structure parameters

• Formula: C41 H40.5 Cl3 N6.5 O Zn2
• Calculated formula: C36 H33 Cl3 N4 O Zn2
• SMILES: [Zn]123([Cl][Zn]45(Cl)[O]1c1c(c6[n]3c(C(=[N]2c2c(cccc2C)C)C)ccc6)cccc1c1[n]4c(ccc1)C(=[N]5c1c(cccc1C)C)C)Cl
• 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: 11.756 ± 0.004 Å
• b: 13.837 ± 0.005 Å
• c: 25.758 ± 0.01 Å
• α: 96.318 ± 0.006°
• β: 90.532 ± 0.007°
• γ: 101.77 ± 0.007°
• Cell volume: 4075 ± 3 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: 0.0924
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No