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Information card for entry 3500009
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| Coordinates | 3500009.cif |
|---|
| Chemical name | decafluorocyclohexene |
|---|---|
| Formula | C6 F10 |
| Calculated formula | C6 F10 |
| SMILES | C1(C(C(C(=C(C1(F)F)F)F)(F)F)(F)F)(F)F |
| Title of publication | Data reduction to |Fhkl| |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2012 |
| a | 11.915 ± 0.003 Å |
| b | 7.247 ± 0.002 Å |
| c | 9.663 ± 0.002 Å |
| α | 90° |
| β | 113.34 ± 0.01° |
| γ | 90° |
| Cell volume | 766.1 ± 0.3 Å3 |
| Cell temperature | 4.2 K |
| Ambient diffraction temperature | 4.2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.909 Å |
| Diffraction radiation type | ConstantWavelengthNeutronDiffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176722 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3500009.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
3500009.cif |
| 38688 | 2012-03-05 | ../uploads/cif-deposit/cod/cif Updating files of 3500009 Original log message: Added detail on structure solution |
3500009.cif |
| 38529 | 2012-03-05 | ../uploads/cif-deposit/cod/cif Updating files of 3500009 Original log message: Added experimental details |
3500009.cif |
| 37329 | 2012-03-02 | ../uploads/cif-deposit/cod/cif Updating files of 3500009 Original log message: Added comments |
3500009.cif |
| 36921 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Updating files of 3500009 Original log message: Added comments on the structure solution |
3500009.cif |
| 35914 | 2012-02-29 | ../uploads/cif-deposit/cod/cif Adding structures of 3500009 via cif-deposit CGI script. |
3500009.cif |
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Users of the data should acknowledge the original authors of the
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