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Information card for entry 4310991
Preview
| Coordinates | 4310991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H54 N6 O26 S2 V |
|---|---|
| Calculated formula | C12 H54 N6 O26 S2 V |
| SMILES | [V]1234(OC5C([NH3+])C(O1)C([NH3+])C(O2)C5[NH3+])OC1C([NH3+])C(O3)C([NH3+])C(O4)C1[NH3+].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Complex Formation of Vanadium(IV) with 1,3,5-Triamino-1,3,5-trideoxy-cis-inositol and Related Ligands |
| Authors of publication | Bernd Morgenstern; Stefan Steinhauser; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera; Daniele Sanna; László Nagy |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3116 - 3126 |
| a | 14.145 ± 0.003 Å |
| b | 11.361 ± 0.002 Å |
| c | 21.047 ± 0.004 Å |
| α | 90° |
| β | 91.98 ± 0.03° |
| γ | 90° |
| Cell volume | 3380.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0449 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258736 (current) | 2020-11-05 | cif/4 Fixing wrong Z values and formulae |
4310991.cif |
| 179148 | 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 4/31/09. |
4310991.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310991.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310991.cif |
| 2483 | 2010-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4310991 via cif-deposit CGI script. |
4310991.cif |
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