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Information card for entry 7052465
Preview
| Coordinates | 7052465.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H80 B K N4 O4 |
|---|---|
| Calculated formula | C46 H80 B K N4 O4 |
| SMILES | [K]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[n]2c3[C@@H](C(C)C)CC[C@@H](C)c3cn2[B]2(C3CCCC2CCC3)n2cc3[C@@H](CC[C@@H](c3[n]12)C(C)C)C |
| Title of publication | Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior |
| Authors of publication | Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2000 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 393 - 398 |
| a | 19.4597 ± 0.0019 Å |
| b | 21.273 ± 0.002 Å |
| c | 10.8452 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4489.5 ± 0.8 Å3 |
| Cell temperature | 107 K |
| Ambient diffraction temperature | 107.15 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.4135 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7051232 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210743 (current) | 2018-09-10 | cif/ Updating bibliography in entries 5000324, 5000332-5000333, 7051231-7051234, 7052465. Marking entries 5000324, 7052465 as duplicates of entry 7051232. Marking entries 5000332-5000333 as duplicates of entries 7051233-7051234. |
7052465.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7052465.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052465.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052465.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7052465.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7052465.cif |
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