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Information card for entry 4500242
Preview
| Coordinates | 4500242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H78 Fe2 N20 Ni2 O5 |
|---|---|
| Calculated formula | C42 H78 Fe2 N20 Ni2 O5 |
| SMILES | N#C[Fe]1(C#[N][Ni]234([NH]5CC[NH]2[C@H](C)CC(C)(C)[NH]3CC[NH]4[C@H](C)CC5(C)C)[N]#C[Fe](C#[N][Ni]234([NH]5CC[NH]2[C@@H](C)CC(C)(C)[NH]3CC[NH]4[C@@H](C)CC5(C)C)[N]#C1)(C#N)(C#N)(C#N)N=O)(C#N)(C#N)N=O.O.O.O |
| Title of publication | Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties |
| Authors of publication | Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 302 |
| a | 27.2264 ± 0.0019 Å |
| b | 13.8822 ± 0.001 Å |
| c | 18.0322 ± 0.0011 Å |
| α | 90° |
| β | 123.734 ± 0.001° |
| γ | 90° |
| Cell volume | 5667.9 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179533 (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 4/50/02. |
4500242.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500242.cif |
| 34415 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500242, 4500243, 4500244, 4500245, 4500246 via cif-deposit CGI script. |
4500242.cif |
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