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Information card for entry 4110199
Preview
| Coordinates | 4110199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C74 H102 N4 P4 |
|---|---|
| Calculated formula | C74 H102 N4 P4 |
| SMILES | P1(P(P=C2N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)CC(=C(C1)C)C)P=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | NHC-Mediated Aggregation of P4: Isolation of a P12 Cluster |
| Authors of publication | Jason D. Masuda; Wolfgang W. Schoeller; Bruno Donnadieu; Guy Bertrand |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14180 - 14181 |
| a | 11.982 ± 0.008 Å |
| b | 13.397 ± 0.009 Å |
| c | 23.717 ± 0.016 Å |
| α | 74.896 ± 0.009° |
| β | 80.328 ± 0.009° |
| γ | 70.51 ± 0.008° |
| Cell volume | 3451 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2041 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.1522 |
| Weighted residual factors for all reflections included in the refinement | 0.2016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4110199.cif |
| 178872 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110199.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110199.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110199.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110199.cif |
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Users of the data should acknowledge the original authors of the
structural data.