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Information card for entry 4070588
Preview
| Coordinates | 4070588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H68 B7 Cu Fe2 Ir N O5 P4 |
|---|---|
| Calculated formula | C79 H68 B7 Cu Fe2 Ir N O5 P4 |
| SMILES | [CH]123[BH]456[BH]781[BH]192[BH]234[B]34%10%119[BH]981[Fe]157(C#[O])(C#[O])(C#[O])[BH]624[Fe]2%1091(C#[O])(C#[O])[Ir]%11([H]3)(c1ccccc1)(C#[N][Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Tetrametallic Copper and Gold Derivatives of a Cyano-Iridium-Diiron-Monocarborane Cluster |
| Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 1 |
| Pages of publication | 148 |
| a | 16.49 ± 0.003 Å |
| b | 19.83 ± 0.003 Å |
| c | 24.01 ± 0.003 Å |
| α | 90° |
| β | 98.589 ± 0.006° |
| γ | 90° |
| Cell volume | 7763 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.1988 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.2052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070588.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070588.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070588.cif |
| 42578 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070588, 4070589 via cif-deposit CGI script. |
4070588.cif |
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