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Information card for entry 4503249
Preview
| Coordinates | 4503249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 Cl6 Mn2 N16 O12 |
|---|---|
| Calculated formula | C44 H44 Cl6 Mn2 N16 O12 |
| Title of publication | A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal |
| Authors of publication | Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 162 |
| a | 14.12 ± 0.002 Å |
| b | 14.443 ± 0.002 Å |
| c | 15.428 ± 0.002 Å |
| α | 64.468 ± 0.002° |
| β | 79.16 ± 0.002° |
| γ | 79.482 ± 0.002° |
| Cell volume | 2770.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2511 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections | 0.3342 |
| Weighted residual factors for significantly intense reflections | 0.251 |
| Goodness-of-fit parameter for all reflections | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4503249.cif |
| 179563 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/32. |
4503249.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4503249.cif |
| 41443 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503249, 4503250, 4503251 via cif-deposit CGI script. |
4503249.cif |
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