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Information card for entry 4076349
Preview
| Coordinates | 4076349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 Mo O6 |
|---|---|
| Calculated formula | C14 H14 Mo O6 |
| SMILES | [Mo]123456(C#[O])(C#[O])([CH](C(=O)OC)=[CH]1C2)[cH]1[cH]6[cH]5[cH]4[c]31C(=O)OC |
| Title of publication | Effect of the Substitution on the Protonation of Allyl Cyclopentadienyl Molybdenum(II) Compounds |
| Authors of publication | Honzíček, Jan; Kratochvíl, Pavel; Vinklárek, Jaromír; Eisner, Aleš; Padělková, Zdeňka |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 2193 |
| a | 7.5069 ± 0.0005 Å |
| b | 9.912 ± 0.0005 Å |
| c | 10.4911 ± 0.0008 Å |
| α | 82.833 ± 0.005° |
| β | 75.196 ± 0.005° |
| γ | 72.82 ± 0.004° |
| Cell volume | 720.01 ± 0.08 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178652 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/63. |
4076349.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076349.cif |
| 51931 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076346, 4076347, 4076348, 4076349, 4076350, 4076351 via cif-deposit CGI script. |
4076349.cif |
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Users of the data should acknowledge the original authors of the
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