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Information card for entry 1533009
Preview
| Coordinates | 1533009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H86 Mo2 O4 P4 Sm2 |
|---|---|
| Calculated formula | C68 H86 Mo2 O4 P4 Sm2 |
| SMILES | [Sm]12345678([O]#C[Mo]9%10%11%12%13(P%14P%15[Mo]%16%17%18%19(P%15P9%14)([cH]9[cH]%16[cH]%17[cH]%18[cH]%199)(C#[O][Sm]9%14%15%16%17%18%19%20([c]%21([c]%16([c]%15([c]%14([c]9%21C)C)C)C)C)[c]9([c]%17([c]%18([c]%19([c]%209C)C)C)C)C)C#[O])([cH]9[cH]%10[cH]%11[cH]%12[cH]%139)C#[O])([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6(C)[c]8([c]71C)C)C)C.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | The approach to 4d/4f-polyphosphides |
| Authors of publication | Arleth, Nicholas; Gamer, Michael T.; Köppe, Ralf; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Fleischmann, Martin; Bodensteiner, Michael; Scheer, Manfred; Roesky, Peter W. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7179 |
| a | 9.6185 ± 0.0007 Å |
| b | 10.2667 ± 0.0007 Å |
| c | 17.5096 ± 0.0013 Å |
| α | 83.519 ± 0.006° |
| β | 77.307 ± 0.006° |
| γ | 78.461 ± 0.006° |
| Cell volume | 1648.4 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.2034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170975 (current) | 2015-12-09 | cif/ Updating files of 1533007, 1533008, 1533009, 1533010, 1533011, 1533012 Original log message: Adding full bibliography for 1533007--1533012.cif. |
1533009.cif |
| 159040 | 2015-09-30 | cif/ Adding structures of 1533007, 1533008, 1533009, 1533010, 1533011, 1533012 via cif-deposit CGI script. |
1533009.cif |
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Users of the data should acknowledge the original authors of the
structural data.