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Information card for entry 1542456
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| Coordinates | 1542456.cif |
|---|---|
| Structure factors | 1542456.hkl |
| Original IUCr paper | HTML |
| Common name | {[1,1'-Bis(diphenylphosphino)ferrocene]digold}sulfide methanol monosolvate |
|---|---|
| Chemical name | μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ<i>P</i>,<i>P</i>']gold} methanol monosolvate |
| Formula | C35 H32 Au2 Fe O P2 S |
| Calculated formula | C35 H32 Au2 Fe O P2 S |
| SMILES | [Au]12[Au](S1)[P]([c]13[Fe]456789%10([c]%11([P]2(c2ccccc2)c2ccccc2)[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.OC |
| Title of publication | μ-Sulfido-bis{[1,1'-bis(diphenylphosphanyl)ferrocene-κ^2^<i>P</i>,<i>P</i>']gold} methanol monosolvate |
| Authors of publication | Itai, Takuma; Kojima, Tatsuhiro; Konno, Takumi |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x152492 |
| a | 13.7434 ± 0.0013 Å |
| b | 12.6277 ± 0.0013 Å |
| c | 18.763 ± 0.0018 Å |
| α | 90° |
| β | 98.352 ± 0.007° |
| γ | 90° |
| Cell volume | 3221.7 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542456.cif 1542456.hkl |
| 177503 | 2016-03-04 | cif/ Updating files of 1542456 Original log message: Adding full bibliography for 1542456.cif. |
1542456.cif 1542456.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542456.cif 1542456.hkl |
| 176512 | 2016-02-17 | cif/ hkl/ Adding structures of 1542456 via cif-deposit CGI script. |
1542456.cif 1542456.hkl |
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