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Information card for entry 4103812
Preview
| Coordinates | 4103812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H24 Cu I N4 |
|---|---|
| Calculated formula | C10 H24 Cu I N4 |
| Title of publication | Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series |
| Authors of publication | Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 1154 - 1169 |
| a | 17.775 ± 0.002 Å |
| b | 10.7571 ± 0.0012 Å |
| c | 18.0887 ± 0.0019 Å |
| α | 90° |
| β | 118.258 ± 0.002° |
| γ | 90° |
| Cell volume | 3046.5 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' 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 700 files were changed. |
4103812.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. |
4103812.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103812.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103812.cif |
| 28287 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103812 via cif-deposit CGI script. |
4103812.cif |
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Users of the data should acknowledge the original authors of the
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