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Information card for entry 4065844
Preview
| Coordinates | 4065844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H108 Ba Ga2 N6 O2 |
|---|---|
| Calculated formula | C66 H108 Ba Ga2 N6 O2 |
| SMILES | [Ba]1([Ga]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([O](CC)CC)([Ga]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([O](CC)CC)[N](CC[N]1(C)C)(C)C |
| Title of publication | Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)† |
| Authors of publication | Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 4914 |
| a | 19.341 ± 0.004 Å |
| b | 18.414 ± 0.004 Å |
| c | 39.322 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14004 ± 5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178551 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/58. |
4065844.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065844.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065844.cif |
| 33704 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065836, 4065837, 4065838, 4065839, 4065840, 4065841, 4065842, 4065843, 4065844, 4065845, 4065846 via cif-deposit CGI script. |
4065844.cif |
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