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Information card for entry 4112809
Preview
| Coordinates | 4112809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Common name | Methane hydrate |
|---|---|
| Chemical name | clathrate hydrate of methane |
| Mineral name | Methane-hydrate |
| Formula | C8 H124 O46 |
| Calculated formula | C8 H123.92 O46 |
| Title of publication | Gas Hydrate Single-Crystal Structure Analyses |
| Authors of publication | Michael T. Kirchner; Roland Boese; W. Edward Billups; Lewis R. Norman |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 9407 - 9412 |
| a | 11.877 ± 0.003 Å |
| b | 11.877 ± 0.003 Å |
| c | 11.877 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1675.4 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282068 (current) | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop. |
4112809.cif |
| 282053 | 2023-03-24 | cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs. |
4112809.cif |
| 178899 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28. |
4112809.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112809.cif |
| 65225 | 2012-09-05 | cif/ Adding structures of 4112809 via cif-deposit CGI script. |
4112809.cif |
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Users of the data should acknowledge the original authors of the
structural data.