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Information card for entry 4313768
Preview
| Coordinates | 4313768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C30 H30 N12 O2 |
|---|---|
| Calculated formula | C30 H30 N12 O2 |
| SMILES | C(COCc1c(cccc1)COCC(n1cccn1)(n1cccn1)n1cccn1)(n1cccn1)(n1cccn1)n1cccn1 |
| Title of publication | Influences of Changes in Multitopic Tris(pyrazolyl)methane Ligand Topology on Silver(I) Supramolecular Structures |
| Authors of publication | Daniel L. Reger; Radu F. Semeniuc; Ioan Silaghi-Dumitrescu; Mark D. Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3751 - 3764 |
| a | 16.3157 ± 0.0013 Å |
| b | 8.588 ± 0.0006 Å |
| c | 21.9227 ± 0.0017 Å |
| α | 90° |
| β | 100.134 ± 0.002° |
| γ | 90° |
| Cell volume | 3023.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.073 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4313768.cif |
| 179202 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/37. |
4313768.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313768.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313768.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4313768.cif |
| 6837 | 2011-01-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4313768 via cif-deposit CGI script. |
4313768.cif |
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Users of the data should acknowledge the original authors of the
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