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Information card for entry 7006468
Preview
| Coordinates | 7006468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H35 B20 Mo O2 Rh S4 |
|---|---|
| Calculated formula | C16 H35 B20 Mo O2 Rh S4 |
| SMILES | [Mo]123([Rh]45678([S]1[C]19%10%11[C]%12%13%14([S]24)[BH]241[BH]1%159[BH]9%16%10[BH]%10%11%12[BH]%11%12%16[BH]%16%159[BH]941[BH]1%132[BH]%14%10%11[BH]%12%1691)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)(S[C]1245[C]678(S3)[BH]391[BH]1%102[BH]2%114[BH]456[BH]56%11[BH]%11%102[BH]291[BH]173[BH]845[BH]6%1121)(C#[O])C#[O] |
| Title of publication | Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands. |
| Authors of publication | Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 7 |
| Pages of publication | 912 - 918 |
| a | 14.009 ± 0.003 Å |
| b | 14.741 ± 0.003 Å |
| c | 17.82 ± 0.004 Å |
| α | 95.758 ± 0.003° |
| β | 101.716 ± 0.004° |
| γ | 91.477 ± 0.004° |
| Cell volume | 3581.1 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1896 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.728 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179768 (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 7/00/64. |
7006468.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006468.cif |
| 61127 | 2012-06-21 | smi/7 Adding SMILES for borane derivatives. |
7006468.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006468.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006468.cif |
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Users of the data should acknowledge the original authors of the
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