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Information card for entry 4308183
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| Coordinates | 4308183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(phenyltris(1-methyl-imidazol-2-ylidene)borato)maganese(iv) triflate |
|---|---|
| Formula | C8.44 H8.89 B0.44 F1.33 Mn0.22 N2.67 O1.33 S0.44 |
| Calculated formula | C8.44444 H8.88889 B0.444444 F1.33333 Mn0.222222 N2.66667 O1.33333 S0.444444 |
| Title of publication | Oxidation of the Tris(carbene)borate Complex PhB(MeIm)3MnI(CO)3 to MnIV[PhB(MeIm)3]2(OTf)2 |
| Authors of publication | Adam P. Forshaw; Ranko P. Bontchev; Jeremy M. Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3792 - 3794 |
| a | 12.8947 ± 0.0005 Å |
| b | 13.5128 ± 0.0005 Å |
| c | 13.9914 ± 0.0005 Å |
| α | 90° |
| β | 90 ± 0.004° |
| γ | 64.28 ± 0.002° |
| Cell volume | 2196.38 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 1 21/b |
| Hall space group symbol | -P 2bc |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189832 (current) | 2017-01-04 | cif/4/30/ (antanas@echidna.ibt.lt) Changing the capitalization of _atom_type_symbol data item values and the values of related data items (e. g. _atom_site_type_symbol), updating the _chemical_formula_sum data item value in entry 4308183. |
4308183.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308183.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308183.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308183.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. |
4308183.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308183.cif |
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