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Information card for entry 7030455
Preview
| Coordinates | 7030455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H48 Cr N2 |
|---|---|
| Calculated formula | C28 H48 Cr N2 |
| SMILES | [Cr]12345678(N9[C]1(=[C]2([C]3(=[C]49C(C)(C)C)C)C)C(C)(C)C)N1[C]5(=[C]6([C]7(=[C]81C(C)(C)C)C)C)C(C)(C)C |
| Title of publication | Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation. |
| Authors of publication | Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 24 |
| Pages of publication | 9052 - 9060 |
| a | 9.0267 ± 0.0005 Å |
| b | 32.0929 ± 0.0016 Å |
| c | 10.4615 ± 0.0006 Å |
| α | 90° |
| β | 114.962 ± 0.007° |
| γ | 90° |
| Cell volume | 2747.5 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1482 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7030455.cif |
| 180010 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/04. |
7030455.cif |
| 116233 | 2014-06-07 | cif/ Updating files of 7030454, 7030455, 7030456, 7030457, 7030458 Original log message: Adding full bibliography for 7030454--7030458.cif. |
7030455.cif |
| 112439 | 2014-05-01 | cif/ Adding structures of 7030454, 7030455, 7030456, 7030457, 7030458 via cif-deposit CGI script. |
7030455.cif |
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