Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4503250
Preview
| Coordinates | 4503250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 Mn N8 O6 |
|---|---|
| Calculated formula | C21 H21 Mn N8 O6 |
| 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 | 9.8134 ± 0.0009 Å |
| b | 10.3112 ± 0.0009 Å |
| c | 12.1302 ± 0.0011 Å |
| α | 98.598 ± 0.001° |
| β | 100.951 ± 0.001° |
| γ | 94.878 ± 0.001° |
| Cell volume | 1183.37 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0995 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections | 0.1011 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Goodness-of-fit parameter for all reflections | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179563 (current) | 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. |
4503250.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4503250.cif |
| 41443 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503249, 4503250, 4503251 via cif-deposit CGI script. |
4503250.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.