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Information card for entry 4067476
Preview
| Coordinates | 4067476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H39 B7 Fe Ir N O4 P2 |
|---|---|
| Calculated formula | C42 H39 B7 Fe Ir N O4 P2 |
| SMILES | [C]123(O)[Fe]456([BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[CH]491)(C#[O])(C#[O])C#[N][Ir](C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Toward Supramolecular Assembly of 10-Vertex {closo-2,1,10-FeC2B7} Clusters: Intramolecular Imidate Formation and Polymetallic, Polycluster Species |
| Authors of publication | Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 10 |
| Pages of publication | 2234 |
| a | 11.0443 ± 0.0012 Å |
| b | 11.9579 ± 0.0013 Å |
| c | 16.7449 ± 0.0018 Å |
| α | 80.322 ± 0.006° |
| β | 82.072 ± 0.006° |
| γ | 81.824 ± 0.006° |
| Cell volume | 2143 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178565 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/74. |
4067476.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067476.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067476.cif |
| 34209 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067459, 4067460, 4067461, 4067462, 4067463, 4067464, 4067465, 4067466, 4067467, 4067468, 4067469, 4067470, 4067471, 4067472, 4067473, 4067474, 4067475, 4067476, 4067477 via cif-deposit CGI script. |
4067476.cif |
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Users of the data should acknowledge the original authors of the
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