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Information card for entry 4315374
Preview
| Coordinates | 4315374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H77 B N2 O Sr |
|---|---|
| Calculated formula | C45 H77 B N2 O Sr |
| SMILES | [Sr]1([O]2CCCC2)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[H][B]([C@H](CC)C)([C@@H](CC)C)[C@@H](CC)C.[Sr]1([O]2CCCC2)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[H][B]([C@@H](CC)C)([C@H](CC)C)[C@H](CC)C |
| Title of publication | Heavier Alkaline Earth Metal Borohydride Complexes Stabilized by β-Diketiminate Ligand |
| Authors of publication | Sankaranarayana Pillai Sarish; Anukul Jana; Herbert W. Roesky; Thomas Schulz; Michael John; Dietmar Stalke |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 3816 - 3820 |
| a | 20.721 ± 0.004 Å |
| b | 13.395 ± 0.002 Å |
| c | 16.093 ± 0.003 Å |
| α | 90° |
| β | 100.014 ± 0.003° |
| γ | 90° |
| Cell volume | 4398.7 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179233 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53. |
4315374.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315374.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315374.cif |
| 8529 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315374 via cif-deposit CGI script. |
4315374.cif |
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Users of the data should acknowledge the original authors of the
structural data.