Information card for entry 4306589

Structure parameters

• Formula: C17 H27 I3 N4 O Zn2
• Calculated formula: C17 H27 I3 N4 O Zn2
• SMILES: [Zn]123(I)[I][Zn]45(I)[O]1c1c(cc(cc1C=[N]4CC[N]5(C)C)C)C=[N]2CC[N]3(C)C
• Title of publication: Dinuclear Zinc Complexes Using Pentadentate Phenolate Ligands
• Authors of publication: Paul D. Knight; Andrew J. P. White; Charlotte K. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11711 - 11719
• a: 20.86207 ± 0.00014 Å
• b: 15.95524 ± 0.00013 Å
• c: 15.0918 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5023.45 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No