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Information card for entry 4103824
Preview
| Coordinates | 4103824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93.64 H89.29 Cl3.29 Cu2 F12 N10 O15 P2 |
|---|---|
| Calculated formula | C93.647 H89.294 Cl3.294 Cu2 F12 N10 O15 P2 |
| Title of publication | Reduction of a Redox-Active Ligand Drives Switching in a Cu(I) Pseudorotaxane by a Bimolecular Mechanism |
| Authors of publication | Kristy A. McNitt; Kumar Parimal; Andrew I. Share; Albert C. Fahrenbach; Edward H. Witlicki; Maren Pink; D. Kwabena Bediako; Christina L. Plaisier; Nga Le; Lee P. Heeringa; Douglas A. Vander Griend; Amar H. Flood |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 1305 - 1313 |
| a | 13.396 ± 0.002 Å |
| b | 14.841 ± 0.003 Å |
| c | 24.848 ± 0.004 Å |
| α | 87.145 ± 0.003° |
| β | 85.91 ± 0.004° |
| γ | 66.989 ± 0.003° |
| Cell volume | 4534.1 ± 1.4 Å3 |
| Cell temperature | 15 ± 2 K |
| Ambient diffraction temperature | 15 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1312 |
| Residual factor for significantly intense reflections | 0.0934 |
| Weighted residual factors for significantly intense reflections | 0.2371 |
| Weighted residual factors for all reflections included in the refinement | 0.2708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4103824.cif |
| 178784 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103824.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103824.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103824.cif |
| 28299 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103824 via cif-deposit CGI script. |
4103824.cif |
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Users of the data should acknowledge the original authors of the
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