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Information card for entry 7112316
Preview
| Coordinates | 7112316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H90 Fe2 P10 Sm2 |
|---|---|
| Calculated formula | C60 H90 Fe2 P10 Sm2 |
| SMILES | [Sm]123456789([P]%10%11[Fe]%12%13%14%15%16%17(P%10[P]%10%12[Sm]%12%18%19%20%21%22%23%24([P]%25%26[Fe]%27%28%29%30%31%32(P([P]1(P%11P%13%10)P%26%28)P%25%27)[c]1([c]%29([c]%30([c]%31([c]%321C)C)C)C)C)([c]1([c]%12([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%21([c]%22([c]%23([c]%241C)C)C)C)C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C |
| Title of publication | P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes |
| Authors of publication | Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2183 - 2185 |
| a | 14.8642 ± 0.0005 Å |
| b | 15.0687 ± 0.0005 Å |
| c | 17.7081 ± 0.0006 Å |
| α | 68.847 ± 0.003° |
| β | 77.695 ± 0.003° |
| γ | 63.804 ± 0.002° |
| Cell volume | 3312.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108923 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210835 (current) | 2018-09-11 | cif/7/ Updating bibliography in entries 7108923-7108924, 7112316-7112317. Marking entries 7112316-7112317 as duplicates of entries 7108923-7108924. |
7112316.cif |
| 180237 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23. |
7112316.cif |
| 110017 | 2014-04-18 | cif/ Adding structures of 7112316, 7112317 via cif-deposit CGI script. |
7112316.cif |
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Users of the data should acknowledge the original authors of the
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