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Information card for entry 4072917
Preview
| Coordinates | 4072917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Me2CCp2Mg.2THF |
|---|---|
| Formula | C21 H30 Mg O2 |
| Calculated formula | C21 H30 Mg O2 |
| Title of publication | In Search of a Versatile Pathway toansa-Chromocene Complexes. Synthesis and Characterization of the Highly Unstableansa-Chromocene Carbonyl Complex Me2C(C5H4)2CrCO |
| Authors of publication | Perrotin, Philippe; Shapiro, Pamela J.; Williams, Mark; Twamley, Brendan |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1823 |
| a | 14.3948 ± 0.0008 Å |
| b | 8.3443 ± 0.0005 Å |
| c | 15.8022 ± 0.0009 Å |
| α | 90° |
| β | 90.894 ± 0.001° |
| γ | 90° |
| Cell volume | 1897.84 ± 0.19 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.1289 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1385 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072917.cif |
| 178618 | 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 4/07/29. |
4072917.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072917.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072917.cif |
| 46073 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072917 via cif-deposit CGI script. |
4072917.cif |
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Users of the data should acknowledge the original authors of the
structural data.