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Information card for entry 4119761
Preview
| Coordinates | 4119761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 Cd N4 |
|---|---|
| Calculated formula | C6 H6 Cd N4 |
| Title of publication | Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2 |
| Authors of publication | Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 7610 - 7620 |
| a | 15.1437 ± 0.0008 Å |
| b | 10.5693 ± 0.0005 Å |
| c | 10.0807 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1613.5 ± 0.15 Å3 |
| Cell temperature | 500 K |
| Ambient diffraction temperature | 500 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections | 0.1034 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9706 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4119761.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4119761.cif |
| 103943 | 2014-03-10 | cif/ Adding structures of 4119761 via cif-deposit CGI script. |
4119761.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.