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Information card for entry 7024885
Preview
| Coordinates | 7024885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tert-butyl-calix(4)arene(OMe)2(OCH2PPh2)2-(Ir4(CO)11)2 |
|---|---|
| Chemical name | tert-butyl-calix[4]arene(OMe)2(OCH2PPh2)2-(Ir4(CO)11)2 |
| Formula | C94 H82 Ir8 O26 P2 |
| Calculated formula | C94 H82 Ir8 O26 P2 |
| Title of publication | Patterned metal polyhedra using calixarenes as organizational scaffolds: Ir4-based cluster assemblies. |
| Authors of publication | de Silva, Namal; Solovyov, Andrew; Katz, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 9 |
| Pages of publication | 2194 - 2197 |
| a | 17.843 ± 0.003 Å |
| b | 11.8513 ± 0.0019 Å |
| c | 46.433 ± 0.008 Å |
| α | 90° |
| β | 99.136 ± 0.002° |
| γ | 90° |
| Cell volume | 9694 ± 3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7024885.cif |
| 179953 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/48. |
7024885.cif |
| 92726 | 2014-01-12 | cif/ Adding structures of 7024883, 7024884, 7024885 via cif-deposit CGI script. |
7024885.cif |
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Users of the data should acknowledge the original authors of the
structural data.