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Information card for entry 7200369
Preview
| Coordinates | 7200369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72.5 H95 B2 Cu6 F20 N13 O7.5 S13 Si2 |
|---|---|
| Calculated formula | C70 H77 B2 Cu6 F20 N13 O5 S13 Si2 |
| Title of publication | Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks |
| Authors of publication | Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 763 |
| a | 23.242 ± 0.005 Å |
| b | 15.31 ± 0.003 Å |
| c | 28.12 ± 0.006 Å |
| α | 90° |
| β | 97.551 ± 0.005° |
| γ | 90° |
| Cell volume | 9919 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.174 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.78 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7200369.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200369.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200369.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200369.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.