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Information card for entry 7006782
Preview
Coordinates | 7006782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H37 Cl8 Cu N3 O |
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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 Å3 |
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 |
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