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Information card for entry 7110821
Preview
| Coordinates | 7110821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 Cr2 N2 O8 |
|---|---|
| Calculated formula | C26 H16 Cr2 N2 O8 |
| SMILES | [cH]12[c]3([cH]4[cH]5[cH]6[Cr]1345(C#[O])(C#[O])([cH]26)C#[O])NC(=O)c1cc(C(=O)N[c]23[cH]4[cH]5[cH]6[cH]7[cH]2[Cr]34567(C#[O])(C#[O])C#[O])ccc1 |
| Title of publication | Hydrogen bonding networks and anion coordination in (η6-arene)Cr(CO)3 complexes: metal carbonyls as hydrogen bond acceptors |
| Authors of publication | Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Mayer, Thomas A.; Paver, Michael A. |
| Journal of publication | Chemical Communications |
| Year of publication | 2000 |
| Journal issue | 4 |
| Pages of publication | 275 |
| a | 17.283 ± 0.003 Å |
| b | 11.337 ± 0.002 Å |
| c | 14.568 ± 0.003 Å |
| α | 90° |
| β | 125.16 ± 0.03° |
| γ | 90° |
| Cell volume | 2333.6 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7110821.cif |
| 180222 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08. |
7110821.cif |
| 95941 | 2014-01-28 | cif/ Adding structures of 7110821, 7110822 via cif-deposit CGI script. |
7110821.cif |
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Users of the data should acknowledge the original authors of the
structural data.