Information card for entry 7006148

Structure parameters

• Formula: C45 H51 Cl5 N4 O2 Zn2
• Calculated formula: C44 H50 Cl2 N4 O2 Zn2
• SMILES: [Zn]123(Cl)[O]4[Zn]5(Cl)([OH]1)[n]1c(c6cccc(c7[n]3c(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)ccc7)c46)cccc1C(=[N]5c1c(cccc1C(C)C)C(C)C)C
• 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: 12.406 ± 0.01 Å
• b: 13.866 ± 0.011 Å
• c: 14.11 ± 0.012 Å
• α: 81.701 ± 0.015°
• β: 76.356 ± 0.015°
• γ: 75.449 ± 0.016°
• Cell volume: 2274 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No