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Information card for entry 4314169
Preview
Coordinates | 4314169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H43 Cl Cu2 N7 O12 P |
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Calculated formula | C26 H43 Cl Cu2 N7 O12 P |
SMILES | [Cu]1234[OH][Cu]56(OP(=O)(O1)Oc1ccc(N(=O)=O)cc1)[N]1(Cc7cccc(C[N]82CC[NH]4CC[NH]3CC8)c7)CC[NH]5CC[NH]6CC1.Cl(=O)(=O)(=O)[O-].O |
Title of publication | Binuclear Copper(II) Complexes of Xylyl-Bridged Bis(1,4,7-triazacyclononane) Ligands |
Authors of publication | Fiona H. Fry; Leone Spiccia; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray; Edward R. T. Tiekink |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5594 - 5603 |
a | 22.994 ± 0.005 Å |
b | 14.192 ± 0.003 Å |
c | 20.833 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6798 ± 2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1281 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4314169.html
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