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Information card for entry 7000250
Preview
| Coordinates | 7000250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chisholm 1539 |
|---|---|
| Formula | C27.5 H44 B Ba I N6 O3 |
| Calculated formula | C27.5 H44 B Ba I N6 O3 |
| Title of publication | Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate |
| Authors of publication | Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 2 |
| Pages of publication | 368 - 374 |
| a | 21.3403 ± 0.0002 Å |
| b | 12.3916 ± 0.0001 Å |
| c | 26.6151 ± 0.0002 Å |
| α | 90° |
| β | 109.575 ± 0.001° |
| γ | 90° |
| Cell volume | 6631.33 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7000250.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000250.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000250.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000250.cif |
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Users of the data should acknowledge the original authors of the
structural data.