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Information card for entry 7003677
Preview
| Coordinates | 7003677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H128 Au2 B24 N2 Na2 O15 P2 |
|---|---|
| Calculated formula | C72 H128 Au2 B24 N2 Na2 O15 P2 |
| SMILES | c1ccccc1[P](c1ccccc1)(c1ccccc1)[Au][NH2][B]1234[BH]567[BH]89%10[BH]%1115[BH]152[BH]2%123[BH]346[BH]478[BH]6%123[BH]352[BH]9%111[BH]%10463.C1C[O]2CC[O]3CC[O](CC[O]4CC[O]5CC[O]1[Na]2345([O]1CCCC1)[O]1CCCC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1[P](c1ccccc1)(c1ccccc1)[Au][NH2][B]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671 |
| Title of publication | η1 and η2 Coordination of 1-amino-closo-dodecaborate |
| Authors of publication | Kirchmann, Marius; Wesemann, Lars |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 16 |
| Pages of publication | 2144 - 2148 |
| a | 22.2314 ± 0.001 Å |
| b | 17.8315 ± 0.0013 Å |
| c | 24.0291 ± 0.0011 Å |
| α | 90° |
| β | 102.936 ± 0.004° |
| γ | 90° |
| Cell volume | 9283.8 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179740 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36. |
7003677.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003677.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003677.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003677.cif |
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