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Information card for entry 4314966
Preview
| Coordinates | 4314966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | cis-H4L |
|---|---|
| Formula | C30 H30 N4 O10 |
| Calculated formula | C30 H30 N4 O10 |
| SMILES | c12c(c(ccc1)OCC=CCOc1c(c(C=NOCCON=Cc3c(c(c(C=NOCCON=C2)cc3)O)O)ccc1)O)O |
| Title of publication | Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by Covalent Transformation of Olefinic Functionalities |
| Authors of publication | Shigehisa Akine; Satoko Kagiyama; Tatsuya Nabeshima |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2141 - 2152 |
| a | 9.6197 ± 0.0009 Å |
| b | 11.0878 ± 0.001 Å |
| c | 14.2308 ± 0.0013 Å |
| α | 81.48 ± 0.001° |
| β | 85.288 ± 0.001° |
| γ | 73.546 ± 0.001° |
| Cell volume | 1438.4 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71069 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. |
4314966.cif |
| 179229 | 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 4/31/49. |
4314966.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314966.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314966.cif |
| 8109 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314966 via cif-deposit CGI script. |
4314966.cif |
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Users of the data should acknowledge the original authors of the
structural data.