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Information card for entry 7212597
Preview
| Coordinates | 7212597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H66 Dy2 Fe4 N30 O20 |
|---|---|
| Calculated formula | C72 H38 Dy2 Fe4 N30 O20 |
| SMILES | c1[n]2[Dy]([N]#C[Fe]3(C#N)(C#N)(C#N)[n]4cccc5c4c4c(cc5)ccc[n]34)([N]#C[Fe]3(C#N)(C#N)([n]4cccc5ccc6ccc[n]3c6c45)C#N)(ON(=O)=O)([OH2])([OH2])([OH2])[n]3ccc[n]4c3c2[n](cc1)[Dy]4([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2cccc3c2c2c(cc3)ccc[n]12)([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2cccc3c2c2c(cc3)ccc[n]12)(ON(=O)=O)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O |
| Title of publication | [Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine) |
| Authors of publication | Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2454 |
| a | 10.066 ± 0.001 Å |
| b | 15.011 ± 0.0013 Å |
| c | 16.587 ± 0.0007 Å |
| α | 94.664 ± 0.005° |
| β | 104.432 ± 0.006° |
| γ | 92.157 ± 0.01° |
| Cell volume | 2414.8 ± 0.3 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180456 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25. |
7212597.cif |
| 93143 | 2014-01-12 | cif/ Adding structures of 7212595, 7212596, 7212597, 7212598 via cif-deposit CGI script. |
7212597.cif |
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Users of the data should acknowledge the original authors of the
structural data.