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Information card for entry 4301480
Preview
| Coordinates | 4301480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp'Mn(CO)2(η^2^-HSiHPh2) |
|---|---|
| Formula | C20 H19 Mn O2 Si |
| Calculated formula | C20 H19 Mn O2 Si |
| SMILES | [Mn]12345([SiH](c6ccccc6)(c6ccccc6)[H]5)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45C |
| Title of publication | Nature of the Bonding in Metal-Silane σ-Complexes |
| Authors of publication | G. Sean McGrady; Peter Sirsch; Nicholas P. Chatterton; Andreas Ostermann; Carlo Gatti; Sandra Altmannshofer; Verena Herz; Georg Eickerling; Wolfgang Scherer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 1588 - 1598 |
| a | 8.475 ± 0.0005 Å |
| b | 15.1016 ± 0.001 Å |
| c | 14.8686 ± 0.001 Å |
| α | 90° |
| β | 105.425 ± 0.0033° |
| γ | 90° |
| Cell volume | 1834.4 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.1243 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.23 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179052 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14. |
4301480.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301480.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4301480.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301480.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4301480.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301480.cif |
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Users of the data should acknowledge the original authors of the
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