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Information card for entry 7001640
Preview
| Coordinates | 7001640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H34 Mn2 N10 O14 |
|---|---|
| Calculated formula | C40 H34 Mn2 N10 O14 |
| SMILES | c1ccc2c3n1[Mn]1(n4cccc5c4c4c(ccc[n]14)c1[nH]cnc51)([n]1c3c(ccc1)c1[nH]cnc21)([OH2])[OH2].[n]12c3C(=O)O[Mn]452(OC(=O)c1ccc3)[n]1c(C(=O)O4)cccc1C(=O)O5.O.O.O.O |
| Title of publication | Interplay of coordinative and supramolecular interactions in formation of a series of metal–organic complexes bearing diverse dimensionalities |
| Authors of publication | Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 27 |
| Pages of publication | 5365 - 5378 |
| a | 13.337 ± 0.003 Å |
| b | 17.261 ± 0.003 Å |
| c | 17.477 ± 0.004 Å |
| α | 90° |
| β | 93.743 ± 0.005° |
| γ | 90° |
| Cell volume | 4014.8 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.819 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001640.cif |
| 179714 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16. |
7001640.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001640.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001640.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001640.cif |
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