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Information card for entry 7012010
Preview
| Coordinates | 7012010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 Cr Mn O7 |
|---|---|
| Calculated formula | C16 H9 Cr Mn O7 |
| SMILES | [Mn]12(C#[O])(C#[O])(C#[O])(C#[O])[CH2]=[CH]1C2[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O] |
| Title of publication | The photochemistry of (CO)4Mn(µ-η3:η6-C3H4C6H5)Cr(CO)3 in frozen gas matrices at ca. 12 K |
| Authors of publication | Hamley, Paul A.; Kuimova, Marina K.; Blake, Alexander J.; Hughes, Catherine; Lyons, Simon B. L.; Poliakoff, Martyn; Wright, Anthony H.; George, Michael W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 8 |
| Pages of publication | 1545 |
| a | 7.0572 ± 0.0009 Å |
| b | 11.0698 ± 0.0014 Å |
| c | 11.1706 ± 0.0014 Å |
| α | 112.507 ± 0.002° |
| β | 95.44 ± 0.002° |
| γ | 93.583 ± 0.002° |
| Cell volume | 797.92 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012010.cif |
| 179824 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/20. |
7012010.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012010.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012010.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7012010.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012010.cif |
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