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Information card for entry 4000055
Preview
| Coordinates | 4000055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 Cd N2 O4 |
|---|---|
| Calculated formula | C24 H16 Cd N2 O4.35714 |
| Title of publication | Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks |
| Authors of publication | Evans, Owen R.; Lin, Wenbin |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2705 - 2712 |
| a | 22.92 ± 0.02 Å |
| b | 28.738 ± 0.017 Å |
| c | 22.999 ± 0.013 Å |
| α | 90° |
| β | 94.908 ± 0.008° |
| γ | 90° |
| Cell volume | 15093 ± 19 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.1197 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203583 (current) | 2017-11-26 | cif/4/00/00/ (antanas@kurmis) Correcting space group information after consulting the original publication. The 'x+1/2, -y+1/2, z+1/2' space group operation was replaced with the 'x,-y+1/2,z+1/2' space group operation as is required by the 'I 1 a 1' space group. |
4000055.cif |
| 203582 | 2017-11-26 | cif/4/00/00/ Updating bibliography in entries 4000031, 4000033-4000060. |
4000055.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000055.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4000055.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4000055.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000055.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000055.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4000055.cif |
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Users of the data should acknowledge the original authors of the
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