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Information card for entry 4324033
Preview
| Coordinates | 4324033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H31 Cd N9 Ni |
|---|---|
| Calculated formula | C29 H31 Cd N9 Ni |
| Title of publication | Variations in Catenation Behavior in Aromatic Guest Clathrates Containing Rigid Host Entitiesp-Xylylenediamine (p-xda) and Tetracyanonickelate(II) Linking Octahedral Cadmium(II) in [Cd(p-xda)nNi(CN)4] Host (n= 1, 1.5, or 2) and the Related Complex [Cd(C6H5NH2)2(p-xda)Ni(CN)4] |
| Authors of publication | Hidetaka Yuge; Yohsuke Noda; Toschitake Iwamoto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1996 |
| Journal volume | 35 |
| Pages of publication | 1842 - 1848 |
| a | 8.505 ± 0.001 Å |
| b | 17.737 ± 0.001 Å |
| c | 10.106 ± 0.001 Å |
| α | 90° |
| β | 102.64 ± 0.01° |
| γ | 90° |
| Cell volume | 1487.6 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Goodness-of-fit parameter for significantly intense reflections | 1.379 |
| Diffraction radiation wavelength | 0.70926 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201171 (current) | 2017-09-22 | cif/4/32/40/ Correcting the _chemical_formula_sum data item value in entry 4324033 by changing it from 'C29 H31 Cd N10' to 'C29 H31 Cd N9 Ni'. |
4324033.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. |
4324033.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4324033.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4324033.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324033.cif |
| 24308 | 2011-08-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4324033 via cif-deposit CGI script. |
4324033.cif |
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