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Information card for entry 1508141
Preview
| Coordinates | 1508141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ndsw114xs |
|---|---|
| Chemical name | nds114xs |
| Formula | C72 H82 Au2 Cl2 O4 P2 |
| Calculated formula | C72 H82 Au2 Cl2 O4 P2 |
| SMILES | [Au](Cl)[P](c1ccccc1)(c1ccccc1)COc1c2cc(cc1Cc1cc(cc(c1OC)Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)Cc1cc(cc(c1OC)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. |
| Authors of publication | de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | 1062 - 1068 |
| a | 19.59 ± 0.004 Å |
| b | 22.495 ± 0.005 Å |
| c | 20.59 ± 0.004 Å |
| α | 90° |
| β | 105.26 ± 0.03° |
| γ | 90° |
| Cell volume | 8754 ± 3 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1508141.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508141.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508141.cif |
| 62687 | 2012-07-09 | cif/ Adding structures of 1508141 via cif-deposit CGI script. |
1508141.cif |
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Users of the data should acknowledge the original authors of the
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