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Information card for entry 7110509
Preview
| Coordinates | 7110509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H46 B Cu N5 O4 |
|---|---|
| Calculated formula | C35 H46 B Cu N5 O4 |
| Title of publication | The crystal structures of glycylglycine and glycine complexes of cis,cis-1,3,5-triaminocyclohexane‒copper(II) as reaction intermediates of metal-promoted peptide hydrolysis |
| Authors of publication | Tan, Xiang Shi; Fujii, Yuki; Sato, Tsuyoshi; Nakano, Yoshiharu; Yashiro, Morio |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 10 |
| Pages of publication | 881 |
| a | 10.238 ± 0.004 Å |
| b | 18.026 ± 0.007 Å |
| c | 10.065 ± 0.003 Å |
| α | 92.29 ± 0.03° |
| β | 113.71 ± 0.03° |
| γ | 101.13 ± 0.03° |
| Cell volume | 1654.4 ± 1.1 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.47 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110509.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
7110509.cif |
| 95291 | 2014-01-28 | cif/ Adding structures of 7110509, 7110510 via cif-deposit CGI script. |
7110509.cif |
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Users of the data should acknowledge the original authors of the
structural data.