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Information card for entry 4331729
Preview
| Coordinates | 4331729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H58 B Cu F20 N3 O P2 |
|---|---|
| Calculated formula | C79 H58 B Cu F20 N3 O P2 |
| Title of publication | Solvated-Ion-Pairing-Sensitive Molecular Bistability Based on Copper(I)-Coordinated Pyrimidine Ring Rotation |
| Authors of publication | Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 369 - 380 |
| a | 12.822 ± 0.003 Å |
| b | 15.851 ± 0.004 Å |
| c | 19.419 ± 0.005 Å |
| α | 78.53 ± 0.01° |
| β | 84.282 ± 0.012° |
| γ | 67.436 ± 0.009° |
| Cell volume | 3570.7 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.2046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179420 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17. |
4331729.cif |
| 97838 | 2014-01-29 | cif/ Adding structures of 4331729 via cif-deposit CGI script. |
4331729.cif |
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Users of the data should acknowledge the original authors of the
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