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Information card for entry 7018484
Preview
| Coordinates | 7018484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Calcium(II)-imidazolo-imidazolate network |
|---|---|
| Chemical name | Bis-imidazolo-di-imidazolato-Calcium(II) |
| Formula | C12 H14 Ca N8 |
| Calculated formula | C12 H14 Ca N8 |
| SMILES | c1[n](cc[nH]1)[Ca][n]1c[nH]cc1.c1[n-]ccn1.c1ncc[n-]1 |
| Title of publication | Alkaline earth imidazolate coordination polymers by solvent free melt synthesis as potential host lattices for rare earth photoluminescence: (x)(∞)[AE(Im)(2)(ImH)(2-3)], Mg, Ca, Sr, Ba, x = 1-2. |
| Authors of publication | Zurawski, Alexander; Rybak, J-Christoph; Meyer, Larissa V.; Matthes, Philipp R.; Stepanenko, Vladimir; Dannenbauer, Nicole; Würthner, Frank; Müller-Buschbaum, Klaus |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 14 |
| Pages of publication | 4067 - 4078 |
| a | 9.0134 ± 0.0018 Å |
| b | 8.6684 ± 0.0017 Å |
| c | 10.313 ± 0.002 Å |
| α | 90° |
| β | 114.68 ± 0.03° |
| γ | 90° |
| Cell volume | 732.2 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1428 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.836 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7018484.cif |
| 179888 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/84. |
7018484.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018484.cif |
| 52116 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7018483, 7018484, 7018485, 7018486 via cif-deposit CGI script. |
7018484.cif |
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