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Information card for entry 4314124
Preview
Coordinates | 4314124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H46 Cu N10 O16 P2 |
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Calculated formula | C36 H46 Cu N10 O16 P2 |
SMILES | C1C[NH]2CC[NH]3CC[NH]1[Cu]1423[NH]2CC[NH]1CC[NH]4CC2.c1(ccc(cc1)N(=O)=O)OP(=O)(Oc1ccc(N(=O)=O)cc1)[O-].c1(ccc(N(=O)=O)cc1)OP(=O)(Oc1ccc(N(=O)=O)cc1)[O-] |
Title of publication | Macrocyclic Copper(II) and Zinc(II) Complexes Incorporating Phosphate Esters |
Authors of publication | Fiona H. Fry; Paul Jensen; Christopher M. Kepert; Leone Spiccia |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5637 - 5644 |
a | 24.7105 ± 0.0005 Å |
b | 12.8627 ± 0.0003 Å |
c | 14.0079 ± 0.0003 Å |
α | 90° |
β | 106.6 ± 0.001° |
γ | 90° |
Cell volume | 4266.76 ± 0.16 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314124.html
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