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Information card for entry 7034411
Preview
| Coordinates | 7034411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H36 Cl2 Ir3 Mo2 N O8 |
|---|---|
| Calculated formula | C38 H36 Cl2 Ir3 Mo2 N O8 |
| SMILES | [Ir]1234([Ir]567([Ir]89%10%11%121([Mo]1%13%14%1525([Mo]25%16%1736([cH]3[cH]2[cH]5[cH]%16[cH]%173)(C7=O)C#[O])([cH]2[cH]%15[cH]%14[cH]%13[cH]12)(C#[O])C%12=O)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)C4=O)(C#[O])C#[O])(C#[N]c1c(cccc1C)C)C#[O].ClCCl |
| Title of publication | Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters. |
| Authors of publication | Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7292 - 7304 |
| a | 11.6744 ± 0.0002 Å |
| b | 13.4649 ± 0.0003 Å |
| c | 14.0805 ± 0.0002 Å |
| α | 73.3974 ± 0.0011° |
| β | 67.3962 ± 0.001° |
| γ | 82.4596 ± 0.0011° |
| Cell volume | 1957.6 ± 0.06 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180050 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034411.cif |
| 138640 | 2015-06-07 | cif/ Updating files of 7034411, 7034412, 7034413, 7034414, 7034415, 7034416, 7034417, 7034418, 7034419, 7034420 Original log message: Adding full bibliography for 7034411--7034420.cif. |
7034411.cif |
| 133910 | 2015-03-14 | cif/ Adding structures of 7034411, 7034412, 7034413, 7034414, 7034415, 7034416, 7034417, 7034418, 7034419, 7034420 via cif-deposit CGI script. |
7034411.cif |
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