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Information card for entry 4338059
Preview
| Coordinates | 4338059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H138 Cl6 Cu4 F24 N28 P4 |
|---|---|
| Calculated formula | C87 H138 Cl6 Cu4 F24 N28 P4 |
| SMILES | [Cu]12[n]3n(CN(Cn4[n]1c(c(c4C)C)C)Cn1[n]([Cu]4[n]5n(CN(Cn6[n]4c(c(c6C)C)C)Cn4[n]([Cu]6[n]7n(CN(Cn8[n]6c(c(c8C)C)C)Cn6[n]([Cu]8[n]9n(CN(Cn%10[n]8c(c(c%10C)C)C)Cn8[n]2c(c(c8C)C)C)c(c(c9C)C)C)c(c(c6C)C)C)c(c(c7C)C)C)c(c(c4C)C)C)c(c(c5C)C)C)c(c(c1C)C)C)c(c(c3C)C)C.ClCCl.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands. |
| Authors of publication | Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 4192 - 4201 |
| a | 16.4932 ± 0.0014 Å |
| b | 17.2851 ± 0.0013 Å |
| c | 24.641 ± 0.002 Å |
| α | 78.537 ± 0.003° |
| β | 74.054 ± 0.002° |
| γ | 71.455 ± 0.003° |
| Cell volume | 6355.8 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1298 |
| Residual factor for significantly intense reflections | 0.0837 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179483 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/80. |
4338059.cif |
| 112722 | 2014-05-04 | cif/ Updating files of 4338055, 4338056, 4338057, 4338058, 4338059, 4338060 Original log message: Adding full bibliography for 4338055--4338060.cif. |
4338059.cif |
| 108904 | 2014-04-04 | cif/ Adding structures of 4338059 via cif-deposit CGI script. |
4338059.cif |
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Users of the data should acknowledge the original authors of the
structural data.