Information card for entry 7006783

Structure parameters

• Formula: C56 H74 Cl4 Cu2 I2 N6 O2
• Calculated formula: C28 H37 Cl2 Cu I N3 O
• 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: 38.658 ± 0.002 Å
• b: 9.2999 ± 0.0005 Å
• c: 18.7382 ± 0.001 Å
• α: 90°
• β: 110.782 ± 0.001°
• γ: 90°
• Cell volume: 6298.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No