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Information card for entry 7024883
Preview
| Coordinates | 7024883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tert-butyl-calix(4)arene(OPr)3(OCH2PPh2)-Ir4(CO)11 |
|---|---|
| Chemical name | tert-butyl-calix[4]arene(OPr)3(OCH2PPh2)-Ir4(CO)11 |
| Formula | C77 H85 Ir4 O15 P |
| Calculated formula | C77 H85 Ir4 O15 P |
| SMILES | C([Ir]12(C#[O])(C#[O])[Ir]345(C#[O])(C#[O])C(=O)[Ir]614(C#[O])(C#[O])C(=O)[Ir]256(C3=O)(C#[O])[P](c1ccccc1)(c1ccccc1)COc1c2cc(cc1Cc1c(c(Cc3c(c(Cc4c(c(C2)cc(c4)C(C)(C)C)OCCC)cc(c3)C(C)(C)C)OCCC)cc(c1)C(C)(C)C)OCCC)C(C)(C)C)#[O] |
| 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 | 14.9086 ± 0.0009 Å |
| b | 15.6994 ± 0.0009 Å |
| c | 17.5646 ± 0.001 Å |
| α | 75.017 ± 0.001° |
| β | 69.951 ± 0.001° |
| γ | 80.237 ± 0.001° |
| Cell volume | 3715.8 ± 0.4 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 2 K |
| Ambient diffracton pressure | 101.3 kPa |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0872 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| 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. |
7024883.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. |
7024883.cif |
| 92726 | 2014-01-12 | cif/ Adding structures of 7024883, 7024884, 7024885 via cif-deposit CGI script. |
7024883.cif |
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Users of the data should acknowledge the original authors of the
structural data.