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Information card for entry 4335583
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| Coordinates | 4335583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pentaoxo-difluorido[1,3-bis(1,2,4-triazol-4-yl)propane] dimolybdenum(VI) |
|---|---|
| Formula | C7 H10 F2 Mo2 N6 O5 |
| Calculated formula | C7 H10 F2 Mo2 N6 O5 |
| Title of publication | Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network |
| Authors of publication | Olena V. Sharga; Andrey B. Lysenko; Marcel Handke; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Adam Bridgeman; Konstantin V. Domasevitch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 8784 - 8794 |
| a | 10.7334 ± 0.0011 Å |
| b | 11.8312 ± 0.0011 Å |
| c | 5.5037 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 698.91 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 59 |
| Hermann-Mauguin space group symbol | P m m n :2 |
| Hall space group symbol | -P 2ab 2a |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4335583.cif |
| 192782 | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4335583.cif |
| 179458 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55. |
4335583.cif |
| 101517 | 2014-02-14 | cif/ Adding structures of 4335583 via cif-deposit CGI script. |
4335583.cif |
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