Information card for entry 7006782

Structure parameters

• Formula: C29 H37 Cl8 Cu N3 O
• Calculated formula: C29 H37 Cl8 Cu N3 O
• SMILES: [Cu]12(Cl)[N](Cc3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)(Cc3[n]1cccc3)Cc1[n]2cccc1.ClC(Cl)Cl.ClC(Cl)Cl.[Cl-]
• Title of publication: Synthesis, structure and dioxygen reactivity of a bis(micro-iodo)dicopper(I) complex supported by the [N-(3,5-di-tert-butyl-2-hydroxybenzyl)-N,N-di-(2-pyridylmethyl)]amine ligand.
• Authors of publication: Pavlova, Svetlana V.; To, Hing Lun; Chan, Edith S. H.; Li, Hung-Wing; Mak, Thomas C. W.; Lee, Hung Kay; Chan, Sunney I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2232 - 2243
• a: 11.6412 ± 0.0003 Å
• b: 18.7028 ± 0.0005 Å
• c: 16.4521 ± 0.0004 Å
• α: 90°
• β: 95.529 ± 0.002°
• γ: 90°
• Cell volume: 3565.34 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No